Mg4CrH10
Alexandria ALEXAlex-ID: agm006505877 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_59_spg139
Mg2CrH8 Cr MgH2
2024-02-26 10:33:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006505877).
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 agm006505877
data_agm006505877
_cell_length_a 5.52080
_cell_length_b 5.52080
_cell_length_c 5.52080
_cell_angle_alpha 99.79225
_cell_angle_beta 99.79225
_cell_angle_gamma 131.28825
_cell_volume 115.18533
_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
Mg1 Mg 0.20468 0.39848 0.60316 1.00000
Mg2 Mg 0.39848 0.79532 0.19380 1.00000
Mg3 Mg 0.60152 0.20468 0.80620 1.00000
Mg4 Mg 0.79532 0.60152 0.39684 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
H1 H 0.75000 0.25000 0.50000 1.00000
H2 H 0.95332 0.67687 0.08734 1.00000
H3 H 0.13401 0.04668 0.72355 1.00000
H4 H 0.32313 0.41047 0.27645 1.00000
H5 H 0.58953 0.86599 0.91266 1.00000
H6 H 0.04668 0.32313 0.91266 1.00000
H7 H 0.25000 0.75000 0.50000 1.00000
H8 H 0.41047 0.13401 0.08734 1.00000
H9 H 0.67687 0.58953 0.72355 1.00000
H10 H 0.86599 0.95332 0.27645 1.00000
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