Cr2BiH7
Alexandria ALEXAlex-ID: agm006209072 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_965_spg1
BiH2 BiH9 CrH
2023-12-18 07:57:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209072).
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 agm006209072
data_agm006209072
_cell_length_a 4.20709
_cell_length_b 6.53956
_cell_length_c 4.83782
_cell_angle_alpha 131.43203
_cell_angle_beta 61.49650
_cell_angle_gamma 107.53365
_cell_volume 87.67381
_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
H1 H 0.10477 0.83189 0.22549 1.00000
H2 H 0.87121 0.91387 0.80645 1.00000
H3 H 0.49865 0.64295 0.68692 1.00000
H4 H 0.85197 0.10903 0.34343 1.00000
H5 H 0.50092 0.75341 0.41483 1.00000
H6 H 0.40807 0.12817 0.24101 1.00000
H7 H 0.92381 0.60823 0.78461 1.00000
Bi1 Bi 0.28048 0.33254 0.93873 1.00000
Cr1 Cr 0.21190 0.89260 0.90765 1.00000
Cr2 Cr 0.58060 0.84469 0.11905 1.00000
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