CrSi2Ni7Ge2
Alexandria ALEXAlex-ID: agm004590232 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_153_spg12
Si(Ni3Ge)2 Cr3Si SiNi2 NiGe
2022-06-26 05:22:58.132417
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004590232).
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 agm004590232
data_agm004590232
_cell_length_a 3.45683
_cell_length_b 3.45683
_cell_length_c 13.21596
_cell_angle_alpha 82.48949
_cell_angle_beta 82.48948
_cell_angle_gamma 90.01352
_cell_volume 155.20432
_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 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.63034 0.63034 0.73971 1.00000
Si2 Si 0.36966 0.36966 0.26029 1.00000
Ni1 Ni 0.50000 0.50000 0.00000 1.00000
Ni2 Ni 0.28066 0.28066 0.43843 1.00000
Ni3 Ni 0.71934 0.71934 0.56157 1.00000
Ni4 Ni 0.92939 0.42932 0.14076 1.00000
Ni5 Ni 0.42932 0.92939 0.14076 1.00000
Ni6 Ni 0.57068 0.07061 0.85924 1.00000
Ni7 Ni 0.07061 0.57068 0.85924 1.00000
Ge1 Ge 0.81113 0.81113 0.37750 1.00000
Ge2 Ge 0.18887 0.18887 0.62250 1.00000
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