U(CrH4)2
Alexandria ALEXAlex-ID: agm007305752 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_801_spg12
U4H15 CrH H2
2024-10-22 02:14:04.277998
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007305752).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007305752
data_agm007305752
_cell_length_a 4.21119
_cell_length_b 4.21119
_cell_length_c 4.60761
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 87.86173
_cell_volume 81.65504
_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
U1 U 0.18338 0.81662 0.50000 1.00000
Cr1 Cr 0.62051 0.73814 0.00000 1.00000
Cr2 Cr 0.26186 0.37949 0.00000 1.00000
H1 H 0.06495 0.31366 0.31159 1.00000
H2 H 0.68634 0.93505 0.31159 1.00000
H3 H 0.53795 0.46205 0.72860 1.00000
H4 H 0.06495 0.31366 0.68841 1.00000
H5 H 0.68634 0.93505 0.68841 1.00000
H6 H 0.53795 0.46205 0.27140 1.00000
H7 H 0.29679 0.97635 0.00000 1.00000
H8 H 0.02365 0.70321 0.00000 1.00000
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