La3Ni7Ge4
Alexandria ALEXAlex-ID: agm005693407 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_55_spg12
LaNi5 La3Ni4 La(NiGe)2
2023-06-29 18:10:01.904996
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693407).
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 agm005693407
data_agm005693407
_cell_length_a 4.15059
_cell_length_b 8.14840
_cell_length_c 7.77357
_cell_angle_alpha 70.98165
_cell_angle_beta 74.51604
_cell_angle_gamma 75.24491
_cell_volume 235.44309
_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
La1 La 0.31653 0.18324 0.18370 1.00000
La2 La 0.68347 0.81676 0.81630 1.00000
La3 La 0.00000 0.50000 0.50000 1.00000
Ni1 Ni 0.32774 0.79431 0.55022 1.00000
Ni2 Ni 0.50212 0.21843 0.77734 1.00000
Ni3 Ni 0.87862 0.34754 0.89521 1.00000
Ni4 Ni 0.67226 0.20569 0.44978 1.00000
Ni5 Ni 0.12138 0.65246 0.10479 1.00000
Ni6 Ni 0.00000 0.00000 0.00000 1.00000
Ni7 Ni 0.49788 0.78157 0.22266 1.00000
Ge1 Ge 0.67103 0.48263 0.17531 1.00000
Ge2 Ge 0.32897 0.51737 0.82469 1.00000
Ge3 Ge 0.88045 0.89667 0.34244 1.00000
Ge4 Ge 0.11955 0.10333 0.65756 1.00000
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