LaCrGe3
Alexandria ALEXAlex-ID: agm002145383 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4_spg107
LaCrGe3
2018-05-23 11:01:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002145383).
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 agm002145383
data_agm002145383
_cell_length_a 4.48648
_cell_length_b 4.48648
_cell_length_c 5.96176
_cell_angle_alpha 112.07502
_cell_angle_beta 112.07502
_cell_angle_gamma 89.99672
_cell_volume 101.64993
_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 0.23656 0.23656 0.47316 1.00000
Ge1 Ge 0.81923 0.31893 0.63853 1.00000
Ge2 Ge 0.00849 0.00849 0.01633 1.00000
Ge3 Ge 0.31893 0.81923 0.63853 1.00000
La1 La 0.56056 0.56056 0.12098 1.00000
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