Cr11H4
Alexandria ALEXAlex-ID: agm091090692 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B11_165_spg12
CrH Cr
2025-05-26 22:22:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm091090692).
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 agm091090692
data_agm091090692
_cell_length_a 4.06019
_cell_length_b 4.76889
_cell_length_c 7.96706
_cell_angle_alpha 95.65598
_cell_angle_beta 90.03132
_cell_angle_gamma 115.21166
_cell_volume 138.73347
_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 0.72999 0.45958 0.08510 1.00000
Cr2 Cr 0.27002 0.54043 0.91490 1.00000
Cr3 Cr 0.19278 0.38474 0.24443 1.00000
Cr4 Cr 0.80722 0.61526 0.75557 1.00000
Cr5 Cr 0.93890 0.87769 0.33816 1.00000
Cr6 Cr 0.06110 0.12231 0.66185 1.00000
Cr7 Cr 0.46531 0.93029 0.16777 1.00000
Cr8 Cr 0.53468 0.06971 0.83223 1.00000
Cr9 Cr 0.62919 0.25820 0.44209 1.00000
Cr10 Cr 0.37081 0.74180 0.55791 1.00000
Cr11 Cr 0.00000 0.00000 1.00000 1.00000
H1 H 0.54416 0.57607 0.39558 1.00000
H2 H 0.45583 0.42392 0.60442 1.00000
H3 H 0.96803 0.42423 0.60476 1.00000
H4 H 0.03197 0.57576 0.39524 1.00000
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