CrGe3
Alexandria ALEXAlex-ID: agm002145379 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_455_spg74
Cr3Ge Ge
2018-05-28 19:17:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002145379).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm002145379
data_agm002145379
_cell_length_a 4.46402
_cell_length_b 6.70404
_cell_length_c 6.70397
_cell_angle_alpha 135.49971
_cell_angle_beta 109.46787
_cell_angle_gamma 70.53247
_cell_volume 131.19060
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr1 Cr 0.15571 0.59424 0.40575 1.00000
Cr2 Cr 0.84429 0.40576 0.59425 1.00000
Ge1 Ge 0.93784 0.81255 0.18743 1.00000
Ge2 Ge 0.65525 0.34547 0.15620 1.00000
Ge3 Ge 0.65521 0.84376 0.65439 1.00000
Ge4 Ge 0.06216 0.18745 0.81258 1.00000
Ge5 Ge 0.34475 0.65453 0.84380 1.00000
Ge6 Ge 0.34479 0.15624 0.34561 1.00000
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