Cr2H3
Alexandria ALEXAlex-ID: agm006493229 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_21_spg148
CrH H2
2025-04-28 16:23:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006493229).
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 agm006493229
data_agm006493229
_cell_length_a 4.19500
_cell_length_b 4.19366
_cell_length_c 4.75541
_cell_angle_alpha 63.81804
_cell_angle_beta 63.81789
_cell_angle_gamma 59.99652
_cell_volume 62.34084
_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 0.81910 0.81906 0.54267 1.00000
Cr2 Cr 0.39814 0.39797 0.80608 1.00000
Cr3 Cr 0.18090 0.18094 0.45733 1.00000
Cr4 Cr 0.60186 0.60203 0.19392 1.00000
H1 H 0.15634 0.02725 0.18873 1.00000
H2 H 0.02736 0.62731 0.18825 1.00000
H3 H 0.62738 0.15633 0.18826 1.00000
H4 H 0.37262 0.84367 0.81174 1.00000
H5 H 0.84366 0.97275 0.81127 1.00000
H6 H 0.97264 0.37269 0.81175 1.00000
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