Mg2CrCoH8
Alexandria ALEXAlex-ID: agm007253171 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_249_spg5
Mg2CrH8 Mg3(CoH6)2 CrH Mg2CoH5
2024-03-26 08:42:38.636052
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007253171).
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 agm007253171
data_agm007253171
_cell_length_a 4.53163
_cell_length_b 4.53464
_cell_length_c 5.12786
_cell_angle_alpha 90.38901
_cell_angle_beta 90.06163
_cell_angle_gamma 119.99488
_cell_volume 91.25796
_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 0.19114 0.95868 0.23808 1.00000
Mg2 Mg 0.85512 0.28647 0.81579 1.00000
Cr1 Cr 0.56859 0.71264 0.50851 1.00000
Co1 Co 0.51030 0.59545 0.02283 1.00000
H1 H 0.79843 0.70204 0.80187 1.00000
H2 H 0.32803 0.70086 0.80126 1.00000
H3 H 0.32677 0.22727 0.90910 1.00000
H4 H 0.22867 0.50702 0.25029 1.00000
H5 H 0.70345 0.50730 0.25109 1.00000
H6 H 0.68865 0.95311 0.16404 1.00000
H7 H 0.96673 0.05053 0.52915 1.00000
H8 H 0.50780 0.04998 0.52906 1.00000
Get direct link