AR and 3D structure database

Content:

Elemental allotropes

Structure *(.zip)**	QR Code Browser (Link) - 3D-Representation - QR Code Merge Cube and Object Code (Link)	Original reference
α-F₂		S. I. Ivlev, A. J. Karttunen, M. Hoelzel, M. Conrad, F. Kraus, Chem. Eur. J. 2019, 25, 3310.
α-Po		R. J. DeSando, R. C. Lange, J. Inorg. Nucl. Chem. 1966, 28, 1837.
α-S₈		S. A. Gromilov, D. A. Piryazev, N. B. Egorov, D. V. Akimov, J. Struct. Chem. 2016, 57, 1663.
β-S₈		W. I. F. David, R. M. Ibberson, S. F J. Cox, P. T. Wood, Acta Cryst. 2006, B62, 953.
γ-S₈		A. C. Gallacher, A. A. Pinkerton, Acta Cryst. 1993, C49, 125.
As (gray)		D. Schiferl, C. S. Barrett, J. Appl. Cryst. 1969, 2, 30.
B₁₂		I. Chuvashova, E. Bykova, M. Bykov, V. Svitlyk, B. Gasharova, Y.-L. Mathis, R. Caracas, L. Dubrinsky, N. Dubrovinskaia, J. Solid State Chem. 2017, 245, 50.
C (Nano tubes)		M. J. Bucknum, E. A. Castro, J. Chem. Theory Comp. 2006, 2, 775.
C (Diamond)		N. Bindzus, T. Straasø, N. Wahlberg, J. Becker, L. Bjerg, N. Lock, A.-C. Dippel, B. B. Iversen, Acta Cryst. 2014, A70, 39.
C (Graphite)		L. Boulet-Roblin, D. Sheptyakov, P. Borel, C. Tessier, P. Novák, C. Villevieille, J. Mater. Chem. A, 2017, 5, 25574.
C (Fullerene)		W. I. F. David, R. M. Ibberson, J. C. Matthewman, K. Prassides, T. J. S. Dennis, J. P. Hare, H. W. Kroto, R. Taylor, D. R. M. Walton, Nature, 1991, 353, 147.
Cl₂		B. M. Powell, K. M. Heal, B. H. Torrie, Mol. Phys. 1984, 53, 929.
Cu		D. Huang, S. Liu, H. Xu, Y. Du, J. Alloys Comp. 2016, 688, 1115.
γ-Ga		L. Bosio, H. Curien, M. Dupont, A. Rimsky, Acta Cryst. B 1972, 28, 1974.
I₂		F. Bertolotti, A. V. Shishkina, A. Forni, G. Gervasio, A. I. Stash, V. G. Tsirelson, Cryst. Growth Des. 2014, 14, 3587.
Mg		V. V. Shtender, O. Y. Zelinska, V. V. Pavlyuk, R. V. Denys, V. Paul-Boncour, I. Y. Zavaliy, B. Marciniak, E. Różycka-Sokołowska, Intermetallics 2017, 87, 61.
P (Fibers)		M. Ruck, D. Hoppe, B. Wahl, P. Simon, Y. Wang, G. Seifert, Angew. Chem. 2005, 117, 7788.
P (Hittorf)		G. Schusteritsch, M. Uhrin, C. J. Pickard, Nano Lett. 2016, 16, 2975.
P (black)		W. A. Crichton, M. Mezouar, G. Monaco, S. Falconi, Powder Diffr. 2003, 18, 155.
P (white)		A. Simon, H. Borrmann, H. Craubner, Phosphorus Sulfur 1987, 30, 507.
Se (gray)		R. Keller, W. B. Holzapfel, H. Schulz, Phys. Rev. B 1977, 16, 4404.
W		A. Friedrich, B. Winkler, L. Bayarjargal, E. A. J. Arellano, W. Morgenroth, J. Biehler, F. Schröder, J. Yan, S. M. Clark, J. Alloys Comp. 2010, 502, 5.

Aristotypes of structural chemistry

*Structure (.zip)**	QR Code Browser (Link) - 3D-Representation - QR Code Merge Cube and Object Code (Link)	Original reference
Al₂O₃ (Corundum)		N. Ishizawa, T. Miyata, I. Minato, F. Marumo, S. Iwai, Acta Cryst. B 1980, 36, 228.
BiI₃		M. Ruck, Z. Kristallogr. 1995, 210, 650.
α-BN		E. Budak, Ç. Bozkurt, Physica B. Cond. Mat. 2010, 405, 4702.
CaC₂		M. Knapp, U. Ruschewitz, Chem. Eur. J. 2001, 7, 874.
CaF₂		M. Stachowicz, M. Malinska, J. Parafiniuk, K. Woźniak, Acta Cryst. 2017, B73, 643.
Ca[TiO₃] (Perovskite)		M. Yashima, R. Ali, Solid State Ionics 2009, 180, 120.
CdCl₂		D. E. Partin, M. O'Keeffe, J. Solid State Chem. 1991, 95, 176.
CdI₂		B. Palosz, E. Salje, J. Appl. Cryst. 1989, 22, 622.
CrCl₃		B. Moroson, A. Narath, J. Chem. Phys. 1964, 40, 1958.
CsCl		M. Sist, K. F. F. Fischer, H. Kasai, B. B. Iversen, Angew. Chem. Int. Ed. 2017, 56, 3625.
Cu₂O (Cuprite)		M. L. Foo, Q. Huang, J. W. Lynn, W.-L. Lee, T. Klimczuk, I. S. Hagemann, N. P. Ong, R. J. Cava, J. Solid. State. Chem. 2006, 179, 563.
Cu₃Au		R. Kubiak, J. Janczak, J. Alloys Comp. 1991, 176, 133.
FeTiO₃ (Ilmenite)		T. Yamanaka, J. Synchrotron Rad. 2005, 12, 566.
FeS₂		M. Rieder, J. C. Crelling, O. Šustai, M. Drábek, Z. Weiss, M. Lementová, Int. J. Coal Geology 2007, 71, 115.
MgAl₂O₄ (Spinel)		T. Yamanaka, Y. Takéuchi, Z. Kristallogr. 1983, 165, 65.
MoCl₃		H. Hillebrecht, P. J. Schmidt, H. W. Rotter, G. Thiele, P. Zönnchen, H. Bengel, H.-J. Cantow, S. N. Magonov, M.-H. Whangbo, J. Alloys Compd. 1997, 246, 70.
MoS₂		O. Hassel, Z. Kristallogr. 1924, 61, 92.
NaCl		P. Fontana, J. Schefer, D. Pettit, J. Cryst. Growth 2011, 324, 207.
NiAs		G. Arminoff, Z. Kristallogr. 1923, 58, 203.
PbO (red)		P. Boher, P. Garnier, J. R. Gavarri, A. W. Hewat, J. Solid State Chem. 1985, 57, 343.
PtS		F. Grønvold, H. Haraldsen, A. Kjekshus, Acta Chem. Scand. 1960, 14, 1879.
ReO₃		K. Meisel, Z. Anorg. Allg. Chem. 1932, 207, 121.
SiO₂ (Cristobalite)		P. Dera, J. D. Lazarz, V. B. Prakapenka, M. Barkley, R. T. Downs, Phys. Chem. Min. 2011, 38, 517.
SiO₂ (Quartz)		K. Kihara, Eur. J. Min. 1990, 2, 63.
SiO₂ (Tridymite)		K. Kihara, T. Matsumoto, M. Imamura, Z. Kristallogr. 1986, 177, 39.
SiS₂		J. Evers, P. Mayer, L. Möckl, G. Oehlinger, R. Köppe, H. Schnöckel, Inorg. Chem. 2015, 54, 1240.
TiO₂ (Rutile)		K. Sugiyama, Y. Takéuchi, Z. Kristallogr. 1991, 194, 305.
VF₃		P. Daniel, A. Bulou, M. Leblanc, M. Rousseau, J. Nouet, Mat. Res. Bull. 1990, 25, 413.
ZnS (Wurzite)		E. H. Kisi, M. M. Elcombe, Acta Cryst. 1989, C45, 1867.
ZnS (Zincblende)		B. T. Sendja, D. T. Kamgne, G. Aquilanti, L. Olivi, J. R. Plaisier, Physica B: Cond. Mat. 2018, 545, 481.
ZrI₃		A. Lachgar, D. S. Dudis, J. D. Corbett, Inorg. Chem. 1990, 29, 2242.

Minerals, Silicates, selected Oxides and Sulfides


*Structure (.zip)**	QR Code Browser (Link) - 3D-Representation - QR Code Merge Cube and Object Code (Link)	Original reference
Alum		M. I. Kay, D. T. Cromer, Acta Cryst. 1970, B26, 1349.
Beryl		G. Bergerhoff, W. Nowacki, Schweiz. Miner. Petr. Mitt. 1955, 35, 410.
Ca₂[Mo₆S₈]		F. Kubel, K. Yvon, Solid State Commun. 1989, 72, 1219.
Chondrodite		K. Robinson, G. V. Gibbs, P. H. Ribbe, Am. Mineral. 1973, 58, 43.
Diopsite		A. M. Plonka, P. Dera, P. Irmen, M. L. Rivers, L. Ehm, J. B. Parise, Geophys. Res. Lett. 2012, 39, L24307.
Faujasith		S. M. Seo, D. J. Moon, J. An, H.-K. Jeong, W. T. Lim, J. Phys. Chem. C 2016, 120, 28563.
Gehlenite		P. Karczak, F. Raaz, Anz. Oester. Akad. Wiss. Math.-Nat. Kl. 1967, 104, 383.
Garnet (Pyrope)		E. P. Meagher, Am. Mineral. 1975, 60, 218.
Garnet (Almandine)		T. Armbruster, C. A. Geiger, G. A. Lager, Am. Mineral. 1992, 77, 512.
Garnet (Spessartine)		U. Rodehorst, C. A. Geiger, T. Armbruster, Am. Mineral. 2002, 87, 542.
LiCoO₂		R. J. Gummow, M. M. Thackeray, W. I. F. David, S. Hull, Mater. Res. Bull. 1992, 27, 327.
Muskovite		J.-J. Liang, F. C. Hawthorne, Can. Mineral. 1996, 34, 115.
Olivine		F. Princivalle, L. Secco, Tschermaks min. pet. Mitt. 1985, 34, 105.
Phenakite		R. M. Hazen, A. Y. Au, Phys. Chem. Min. 1986, 13, 69.
Pyroxene		B. Periotto, T. Balić-Žunić, F. Nestola, A. Katerinopoulou, R. J. Angel, Am. Mineral. 2012, 97, 1741.
Sodalite		J. Löns, H. Schulz, Acta Cryst. 1967, 23, 434.
Topaz		G. D. Gatta, F. Nestola, G. D. Bromiley, A. Loose, Am. Mineral. 2006, 91, 1839.
YBa₂Cu₃O₇		P. Schweiss, W. Reichardt, M. Braden, G. Collin, G. Heger, H. Claus, A. Erb, Phys. Rev. B 1994, 49, 1387.
Zeolite A		R. Y. Yanagida, A. A. Amaro, K. Seff, J. Phys. Chem. 1973, 77, 805.
Zircon		Z. Mursic, T. Vogt, H. Boysen, F. Frey, J. Appl. Cryst. 1992, 25, 519.

Intermetallics and related


Structure *(.zip)**	QR Code Browser (Link) - 3D-Represenation - QR Code Merge Cube and Object Code (Link)	Original reference
AlB₂		M. Merz, P. Schweiss, T. Wolf, H. von Löhneysen, S. Schuppler, J. Phys. Soc. Jpn. 2014, 83, 024714.
Ca₂Si		R. Nedumkandathil, D. E. Benson, J. Grins, K. Spektor, U. Häussermann, J. Solid State Chem. 2015, 222, 18.
CaSi		A. Currao, J. Curda, R. Nesper, Z. Anorg. Allg. Chem. 1996, 622, 85.
Cu₂MnAl		K. H. J. Buschow, P. G. van Engen, J. Magn. Magn. Mat. 1981, 25, 90.
Cu₉Al₄		L. Arnberg, S. Westman, Acta Cryst. 1978, A34, 399.
MgCu₂		M. H. Braga, J. J. A. Ferreira, J. Siewenie, T. Proffen, S. C. Vogel, L. L. Daemen, J. Solid State Chem. 2010, 183, 10.
NaSi		J. Witte, H. G. Schnering, W. Klemm, Z. Anorg. Allg. Chem. 1964, 327, 260.
NaTl		M. Tadin, J. Schneider, H. Boysen, F. Frey, Mat. Science Forum 1991, 79-82, 635.

Metal-organic frameworks

Structure

(*.zip)

QR Code Browser (Link) - 3D-Representation - QR Code Merge Cube and Object Code (Link)

Original reference

MOF-5

H. Li, M. Eddaoudi, M. O'Keeffe, O. M. Yaghi, Nature, 1999, 402, 276.

UiO-66

S. Øien, D. Wragg, H. Reinsch, S. Svelle, S. Bordiga, C. Lamberti, K. P. Lillerud, Cryst. Grow. Des. 2014, 14, 5370.

Boranes

*Structure (.zip)**	3D Representation and QR Code Browser (link)	Original reference
B₂H₆		C. B. Hübschle, M. Messerschmidt, D. Lentz, P. Luger, Z. Anorg. Allg. Chem. 2004, 630, 1313.
B₄H₁₀ (arachno)		E. B. Moore, R. E. Dickerson, W. N. Lipscomb, J. Chem. Phys. 1957, 27, 209.
B₅H₉(nido)		W. J. Dulmage, W. N. Lipscomb, Acta Cryst. 1952, 5, 260.
B₅H₁₁ (arachno)		E. B. Moore, R. E. Dickerson, W. N. Lipscomb, J. Chem. Phys. 1957, 27, 209.
K₂[B₆H₆] (closo)		I. Y. Kuznetsov, D. M. Vinitskii, K. A. Solntsev, N. T. Kuznetsov, L. A. Butman, Z. Neorgan. Khimii 1987, 32, 3112.
B₆H₁₀ (nido)		G. S. Pawley, Acta Cryst. 1966, 20, 631.
B₈H₁₂ (nido)		R. E. Enrione, F. P. Boer, W. N. Lipscomb, Inorg. Chem. 1964, 3, 1659.
B₉H₁₅ (arachno)		R. E. Dickerson, P. J. Wheatley, P. A. Howell, W. N. Lipscomb, J. Chem. Phys. 1957, 27, 200.
K₂[B₁₀H₁₀] (closo)		K. Hofmann, B. Albert, Z. Kristallogr. - Cryst. Mat. 2005, 220, 142.
B₁₀H₁₄ (nido)		R. Brill, H. Dietrich, H. Dierks, Acta Cryst. 1971, B27, 2003.
K₂[B₁₂H₁₂] (closo)		I. Tiritiris, T. Schleid, Z. Anorg. Allg. Chem. 2003, 629, 1390.
B₁₂(OCH₂Ph)₁₂(hypercloso)		T. Peymann, C. B. Knobler, I. K. Saeed, M. F. Hawthorne, Angew. Chem. Int. Ed. 2001, 40, 1664.
B₁₄H₂₀ (arachno)		J. C. Huffman, D. C. Moody, R. Schaeffer, Inorg. Chem. 1981, 20, 741.
B₂₀C₄H₂₂ (conjuncto)		W. Y. Man, G. M. Rosair, A. J. Welch, Acta Cryst. 2014, E70, 462.

Noble gas compounds

*Structure (.zip)**	3D Representation and QR Code Browser (link)	Original reference
XeF₂		H. St. A. Elliott, J. F. Lehmann, H. P. A. Mercier, H. D. B. Jenkins, G. J. Schrobilgen, Inorg. Chem. 2010, 49, 8504.
XeF₄		D. H. Templeton, A. Zalkin, J. D. Forrester, S. M. Williamson, J. Am. Chem. Soc. 1963, 85, 242.
XeF₆		S. Hoyer, T. Emmler, K. Seppelt, J. Fluorine Chem. 2006, 127, 1415.
(NMe₄)[XeF₅]		K. O. Christe, E. C. Curtis, D. A. Dixon, H. P. Mercier, J. C. P. Sanders, G. J. Schrobilgen, J. Am. Chem. Soc. 1991, 113, 3351.
Cs[XeF₇]		A. Ellern, A.-R. Mahjoub, K. Seppelt, Angew. Chem. 1996, 108, 1198.
(NO)₂[XeF₈]		S. W. Peterson, J. H. Holloway, B. A. Coyle, J. M. Williams, Science, 1971, 173, 1238.
(AuXe₄)[Sb₂F₁₁]₂		T. Drews, S. Seidel, K. Seppelt, Angew. Chem. Int. Ed. 2002, 41, 454.
[(C₆F₅Xe)₂Cl][AsF₆]		H.-J. Frohn, T. Schroer, G. Henkel, Angew. Chem. Int. Ed. 1999, 38, 2554.
(XeOTeF₅)[Sb(OTeF₅)₆]·SO₂ClF		H. P. A. Mercier, M. D. Moran, J. C. P. Sanders, G. J. Schrobilgen, R. J. Suontamo, Inorg. Chem. 2005, 44, 49.
[Kr₂F₃][SbF₆]·KrF₂		J. F. Lehmann, D. A. Dixon, G. J. Schrobilgen, Inorg. Chem. 2001, 40, 3002.
(KrF)[SbF₆]		J. F. Lehmann, D. A. Dixon, G. J. Schrobilgen, Inorg. Chem. 2001, 40, 3002.

Isomerism and functional groups

*Structure (.zip)**	QR Code Browser (Link) - 3D-Representation - QR Code Merge Cube and Object Code (Link)	Original reference
Rac-Weinsäure		A. Gerstäcker, H. Möller, A. Reis, Z. Kristallogr. 1928, 66, 421.
Testosterone		P. J. Roberts, R. C. Petterson, G. M. Sheldrick, N. W. Isaacs, O. Kennard, J. Chem. Soc., Perkin Trans. 2 1973, 1978.
trans-Decahydronaphthalene (Packing)		S. Eibl, A. Fitch, M. Brunelli, A. D. Evans, P. Pattison, M. Plazanet, M. R. Johnson, C. Alba-Simionesco, H. Schober, Acta Cryst. 2009, C65, o278.
trans-Decalin (Molecule)		S. Eibl, A. Fitch, M. Brunelli, A. D. Evans, P. Pattison, M. Plazanet, M. R. Johnson, C. Alba-Simionesco, H. Schober, Acta Cryst. 2009, C65, o278.
Estradiol-17β-valerate		A. M. Wheatley, J. A. Kaduk, A. M. Gindhart, T. N. Blanton, Powder Diffraction 2018, 33, 70.
Bicyclo(2.2.1)hept-5-ene-2,3-exo-dicarboxylic anhydride		G. Filippini, C. M. Gramaccioli, C. Rovere, M. Simonetta, Acta Cryst. 1972, B28, 2869.
5-Norbornene-2,3-endo-dicarboxylic anhydride		R. Destro, G. Filippini, C. M. Gramaccioli, M. Simonetta, Acta Cryst. 1969, B25, 2465.
α-D-Glucose		E. Hough, S. Neidle, D. Rogers, P. G. H. Troughton, Acta Cryst. 1973, B29, 365.
β-D-Glucose		S. S. C. Chu, G. A. Jeffrey, Acta Cryst. 1968, B24, 830.
η-1,2,3,4,5,6-Hexafluorocyclohexane		A. J. Durie, A. M. Z. Slawin, T. Lebl, D. O'Hagan, Angew. Chem. Int. Ed. 2012, 51, 10086.
L-(+)-lactic acid		A. Schouten, J. A. Kanters, J. van Krieken, J. Mol. Struct. 1994, 323, 165.

Coordination numbers

3D-Representation - QR Code Merge Cube and Object Code (Link)

Coordination number, *Compound (.zip)**	QR Code Browser (Link) - Representation - QR Code Merge/Object Code	Original Reference
1, 2,6-bis(2',4',6'-Tri- isopropylphenyl) phenyl-thallium(I)		M. Niemeyer, P. P. Power, Angew. Chem. Int. Ed. 1998, 37, 1277.
2, Diphenylmercury, HgPh₂		D. Grdenic, B. Kamenar, A. Nagl, Acta Crystallogr. 1977, B33, 587.
3, Tris-triphenylphosphine platinum(0), [Pt(PPh₃)₃]		P. A. Chaloner, P. B. Hitchcock, G. T. L. Broadwood-Strong, Acta Crystallogr. 1989, C45, 1309.
4 (square planar), Cis-Diammindichloridoplatinum(II) dmf-solvate [PtCl₂(NH₃)₂]·dmf		G. Raudaschl, B. Lippert, J. D. Hoeschele, H. E. Howard-Lock, C. J. L. Lock, P. Pilon, Inorg. Chim. Acta 1985, 106, 141. (Protons manually added)
4 (tetrahedron), Tetracarbonyl nickel(0) [Ni(CO)₄]		D. Braga, F. Grepioni, A. G. Orpen, Organomet. 1993, 12, 1481.
5 (trigonal bipyramid), Pentacarbonyl iron(0) [Fe(CO)₅]		A. W. Hanson, Acta Crystallogr. 1962, 15, 930.
5 (square pyramid), 2,4,6-Tris(2'-Pyridinium)-1,3,5-Triazine Pentachloridomanganate(III) Chloride Hydrate *(TPT)[MnCl₅]Cl·H₂O*		G. A. Barclay, R. S. Vagg, E. C. Watton, Acta Crystallogr. 1977, B33, 3777.
6 (octahedron), Potassium hexacyanidoferrat(III) K₃[Fe(CN)₆]		B. N. Figgis, M. Gerloch, R. Mason, R. S. Nyholm, Proc. Royal Soc. A 1969, 309, 91.
6 (trigonal prism), Hexamethyltungsten WMe₆		S. Kleinhenz, V. Pfennig, K. Seppelt, Chem. Eur. J. 1998, 4, 1687.
7 (pentagonal bipyramid), Ethylendiammonium Heptafluoridozirkonat(V) Monohydrate (H₂en)[ZrF₇]·H₂O		M. A. Saada, V. Maisonneuve, J. Marrot, N. Mercier, M. Leblanc, A. Hémon-Ribaud, J. Fluorine Chem. 2011, 132, 732.
7 (capped octaedron), Cesium heptafluoridomolybdat(IV) Cs[MoF₇]		S. Giese, K. Seppelt, Angew. Chem. 1994, 106, 473.
8 (cube), Cäsium chlorid CsCl		M. Sist, K. F. F. Fischer, H. Kasai, B. B. Iversen, Angew. Chem. Int. Ed. 2017, 56, 3625.
8 (square antiprism), Tetrakis-triethyleneammoniumamine Tris-Octafluoridozirconate Trihydrate *(H₃tren)₄[ZrF₈]₃*·3H₂O		M. A. Saada, V. Maisonneuve, J. Marrot, N. Mercier, M. Leblanc, A. Hémon-Ribaud, J. Fluorine Chem. 2011, 132, 732.
8 (hexagonal bipyramid), Lithium nitrid Li₃N		A. Huq, J. W. Richardson, E. R. Maxey, D. Chandra, W.-M. Chien, J. Alloys Compd. 2007, 436, 256.
9 (tricapped trigonal prism / capped square antiprism) Aqua-tetra-Tropolonato- Thorium(IV) [Th(trop)₄(H₂O)]		R. J. Hill, C. E. F. Rickard, J. Inorg. Nucl. Chem. 1975, 37, 2481.
12 (icosahedron), Magnesium Hexanitratothorate Octahydrate Mg[Th(NO₃)₆]·8H₂O		S. Scavnicar, B. Prodic, Acta Crystallog. 1965, 18, 698.
12 (cuboctahedron) Zirkonium tetrakis- tetrahydridoborate(III) [Zr(BH₄)₄]		L. H. Rude, M. Corno, P. Ugliengo, M. Baricco, Y.-S. Lee, Y. W. Cho, F. Besenbacher, J. Overgaard, T. R. Jensen, J. Phys. Chem. C. 2012, 116, 20239.

Selected Bravais lattices and space groups

*Lattice/Space group (.zip)**	3D-Representation and QR Code Browser (Link)
Triclinic primitive
Monoclinic primitive
Monoclinic base centered
Orthorhombic base centered
Tetragonal primitive
Rhombohedral
Hexagonal primitive
Cubic primitive
Cubic body centered
Cubic face centered
*P -1*
P 2
P 2₁
P 2₁/m
P 2₁/c
P 2₁2₁2₁
*P n m a*
P 4₂/m
P 3₁2 1
P 3₂2 1
R 3 2
F m -3 m (Screws)
F m -3 m (Mirrows)

Atomic orbitals

Calculation and depiction of orbitals for Eu: Gaussian-16^[1] (HF/SDDAll^[2]), www.makexyz.com/convert/wrl-to-stl, and Windows 3D Builder.

[1] Gaussian 16, Revision C.01, M. J. Frisch, et al. Gaussian, Inc. Wallingford CT, 2016.

[2] T. H. Dunning Jr, P. J. Hay, Modern Theoretical Chemistry, Ed. H. F. Schaefer III, Vol. 3 (Plenum, New York, 1977) 1-28.

Orbital	QR Code Browser (Link) - 3D-Representation - QR Code Merge Cube and Object Code (Link)
1s
2p
3d_xy
3d_z²
3p_z
4f_z³
4f_z(x²-y²)

The database is constantly expanded. For suggestions, if you encounter errors, or to obtain the full database (*.obj, *.fbx) please contact guenther.thiele(at)fu-berlin.de directly.

This work was supported by an E-Learning grant from CeDiS- Center für Digitale Systeme of the Freie Universität Berlin and a Fulbright-Cottrell-Award of the German-American Fulbright Commission.

AR/3D-Structural Database by Jonas R. Schmid, Günther Thiele is licensed under a Creative Commons Attribution 4.0 International License.

Department of Biology, Chemistry, Pharmacy

Research Group Thiele

AR and 3D structure database