Cr2GaSnH8
Alexandria ALEXAlex-ID: agm007615094 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_768_spg148
GaH9 CrH CrGa4 SnH2
2024-02-09 12:54:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007615094).
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 agm007615094
data_agm007615094
_cell_length_a 4.85241
_cell_length_b 5.11530
_cell_length_c 4.95870
_cell_angle_alpha 101.58059
_cell_angle_beta 121.47115
_cell_angle_gamma 84.10762
_cell_volume 102.84016
_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
Cr1 Cr 0.81176 0.25090 0.42419 1.00000
Cr2 Cr 0.08127 0.74424 0.51703 1.00000
Ga1 Ga 0.62363 0.53452 0.95643 1.00000
Sn1 Sn 0.17249 0.96604 0.11044 1.00000
H1 H 0.45970 0.30268 0.09209 1.00000
H2 H 0.69575 0.27627 0.70938 1.00000
H3 H 0.46687 0.80668 0.71488 1.00000
H4 H 0.85568 0.60138 0.61030 1.00000
H5 H 0.18400 0.42265 0.52618 1.00000
H6 H 0.72391 0.91534 0.39762 1.00000
H7 H 0.19091 0.06183 0.64683 1.00000
H8 H 0.23402 0.61746 0.29463 1.00000
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