Bi(H4Pt)3
Alexandria ALEXAlex-ID: agm007307445 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_977_spg8
H10Pt H3Pt BiPt
2025-05-27 23:19:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007307445).
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
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# CIF generated by HEAS from Alexandria entry agm007307445
data_agm007307445
_cell_length_a 5.86278
_cell_length_b 5.86278
_cell_length_c 6.65370
_cell_angle_alpha 67.67883
_cell_angle_beta 112.32117
_cell_angle_gamma 73.82853
_cell_volume 170.16275
_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 0.98943 0.01057 0.89053 1.00000
H1 H 0.72690 0.02807 0.43834 1.00000
H2 H 0.24498 0.30260 0.16916 1.00000
H3 H 0.81291 0.95332 0.38313 1.00000
H4 H 0.75875 0.53278 0.93022 1.00000
H5 H 0.28029 0.47624 0.46292 1.00000
H6 H 0.52376 0.71971 0.46292 1.00000
H7 H 0.97193 0.27310 0.43834 1.00000
H8 H 0.46722 0.24125 0.93022 1.00000
H9 H 0.04668 0.18709 0.38313 1.00000
H10 H 0.20081 0.70962 0.68221 1.00000
H11 H 0.69740 0.75502 0.16916 1.00000
H12 H 0.29038 0.79919 0.68221 1.00000
Pt1 Pt 0.52056 0.47944 0.72502 1.00000
Pt2 Pt 0.99541 0.53240 0.19611 1.00000
Pt3 Pt 0.46760 0.00459 0.19611 1.00000
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