BeH7Se2
Alexandria ALEXAlex-ID: agm006198230 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1261_spg1
BeHSe H3Se H2
2023-10-20 00:04:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006198230).
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 agm006198230
data_agm006198230
_cell_length_a 6.28289
_cell_length_b 9.00962
_cell_length_c 9.20355
_cell_angle_alpha 50.33325
_cell_angle_beta 125.90698
_cell_angle_gamma 160.61098
_cell_volume 132.88581
_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 0.61306 0.41281 0.14607 1.00000
H2 H 0.34368 0.22590 0.79218 1.00000
H3 H 0.35739 0.29536 0.07541 1.00000
H4 H 0.91623 0.29006 0.02144 1.00000
H5 H 0.49068 0.78283 0.48419 1.00000
H6 H 0.82505 0.28838 0.24804 1.00000
H7 H 0.12183 0.98987 0.83351 1.00000
Se1 Se 0.66487 0.13198 0.71460 1.00000
Se2 Se 0.03836 0.23323 0.33174 1.00000
Be1 Be 0.86125 0.40697 0.82098 1.00000
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