CaYGe2
Alexandria ALEXAlex-ID: agm005693002 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_6963_spg65
YGe CaGe
2023-07-11 20:10:09.699626
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693002).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005693002
data_agm005693002
_cell_length_a 4.41511
_cell_length_b 3.96559
_cell_length_c 5.85856
_cell_angle_alpha 90.00000
_cell_angle_beta 112.11879
_cell_angle_gamma 90.00000
_cell_volume 95.02586
_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
Ca1 Ca 0.44284 0.50000 0.42457 1.00000
Y1 Y 0.71959 0.00000 0.97822 1.00000
Ge1 Ge 0.16512 0.50000 0.86910 1.00000
Ge2 Ge 0.00345 0.00000 0.54611 1.00000
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