Bi2(PH3)3
Alexandria ALEXAlex-ID: agm006201540 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_1110_spg1
PH3 Bi
2024-02-06 19:57:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201540).
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 agm006201540
data_agm006201540
_cell_length_a 8.43039
_cell_length_b 7.84658
_cell_length_c 5.09657
_cell_angle_alpha 90.15468
_cell_angle_beta 73.08863
_cell_angle_gamma 126.61949
_cell_volume 252.40329
_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 0.26948 0.46419 0.55379 1.00000
Bi2 Bi 0.70271 0.24594 0.34191 1.00000
P1 P 0.41790 0.64004 0.98356 1.00000
P2 P 0.03575 0.93246 0.03875 1.00000
P3 P 0.77089 0.39479 0.80944 1.00000
H1 H 0.93061 0.76089 0.27922 1.00000
H2 H 0.51674 0.94449 0.43306 1.00000
H3 H 0.57850 0.36860 0.90207 1.00000
H4 H 0.19320 0.90744 0.90801 1.00000
H5 H 0.38555 0.79888 0.00032 1.00000
H6 H 0.16356 0.09556 0.17415 1.00000
H7 H 0.45937 0.40753 0.46248 1.00000
H8 H 0.93217 0.25031 0.23411 1.00000
H9 H 0.64355 0.78887 0.87914 1.00000
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