Pm2GaBi4
Alexandria ALEXAlex-ID: agm005933332 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_908_spg139
PmGa3 Bi PmBi
2023-10-19 22:38:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005933332).
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 agm005933332
data_agm005933332
_cell_length_a 6.93257
_cell_length_b 6.93257
_cell_length_c 6.70939
_cell_angle_alpha 120.75349
_cell_angle_beta 120.75350
_cell_angle_gamma 90.81552
_cell_volume 220.92528
_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
Bi1 Bi 0.78587 0.78587 0.07166 1.00000
Bi2 Bi 0.28558 0.28558 0.07117 1.00000
Bi3 Bi 0.78568 0.28575 0.07140 1.00000
Bi4 Bi 0.28575 0.78568 0.07140 1.00000
Ga1 Ga 0.78575 0.78575 0.57157 1.00000
Pm1 Pm 0.28583 0.78555 0.57140 1.00000
Pm2 Pm 0.78555 0.28583 0.57140 1.00000
Get direct link