AR and 3D structure database
Content:
Aristotypes of structural chemistry
Isomerism and functional groups
Bravais lattices and space groups
Aristotypes of structural chemistry
Minerals, Silicates, selected Oxides and Sulfides
Intermetallics and related
Metal-organic frameworks
Structure (*.zip) |
QR Code Browser (Link) - 3D-Representation - QR Code Merge Cube and Object Code (Link) | Original reference |
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H. Li, M. Eddaoudi, M. O'Keeffe, O. M. Yaghi, Nature, 1999, 402, 276. | |
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S. Øien, D. Wragg, H. Reinsch, S. Svelle, S. Bordiga, C. Lamberti, K. P. Lillerud, Cryst. Grow. Des. 2014, 14, 5370. |
Boranes
Isomerism and functional groups
Coordination numbers
3D-Representation - QR Code Merge Cube and Object Code (Link)
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 21 21 21 | ![]() ![]() |
P n m a | ![]() ![]() |
P 42/m | ![]() ![]() |
P 31 2 1 | ![]() ![]() |
P 32 2 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 | ![]() ![]() ![]() |
3dxy | ![]() ![]() ![]() |
3dz2 | ![]() ![]() ![]() |
3pz | ![]() ![]() ![]() |
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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.