Sm3Ni7Ge4
Alexandria ALEXAlex-ID: agm005693433 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_8_spg12
Sm3(NiGe)4 SmNi5 Sm(NiGe)2
2023-06-29 17:35:56.177504
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693433).
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 agm005693433
data_agm005693433
_cell_length_a 4.08306
_cell_length_b 7.91560
_cell_length_c 7.77354
_cell_angle_alpha 69.84847
_cell_angle_beta 74.77409
_cell_angle_gamma 75.05378
_cell_volume 223.65949
_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
Sm1 Sm 0.31696 0.18765 0.17844 1.00000
Sm2 Sm 0.68304 0.81235 0.82156 1.00000
Sm3 Sm 0.00000 0.50000 0.50000 1.00000
Ni1 Ni 0.32138 0.81333 0.54390 1.00000
Ni2 Ni 0.50208 0.21702 0.77883 1.00000
Ni3 Ni 0.87350 0.35365 0.89934 1.00000
Ni4 Ni 0.67862 0.18667 0.45610 1.00000
Ni5 Ni 0.12650 0.64635 0.10066 1.00000
Ni6 Ni 0.00000 0.00000 0.00000 1.00000
Ni7 Ni 0.49792 0.78298 0.22117 1.00000
Ge1 Ge 0.66888 0.47451 0.18772 1.00000
Ge2 Ge 0.33112 0.52549 0.81228 1.00000
Ge3 Ge 0.87820 0.90027 0.34333 1.00000
Ge4 Ge 0.12180 0.09973 0.65667 1.00000
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