Pm2SiNi3
Alexandria ALEXAlex-ID: agm005680801 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2051_spg44
PmSiNi4 PmSiNi PmNi
2023-08-25 00:09:09.899958
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005680801).
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 agm005680801
data_agm005680801
_cell_length_a 4.01746
_cell_length_b 3.97154
_cell_length_c 7.60534
_cell_angle_alpha 105.13548
_cell_angle_beta 105.31472
_cell_angle_gamma 90.00000
_cell_volume 112.66776
_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
Pm1 Pm 0.12716 0.12716 0.25432 1.00000
Pm2 Pm 0.87012 0.37012 0.74024 1.00000
Si1 Si 0.46036 0.96036 0.92073 1.00000
Ni1 Ni 0.70733 0.70733 0.41467 1.00000
Ni2 Ni 0.53827 0.53827 0.07653 1.00000
Ni3 Ni 0.29675 0.79675 0.59350 1.00000
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