Zn2CrMoH8
Alexandria ALEXAlex-ID: agm007757429 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_702_spg2
Mo2H3 H2 CrH ZnH2
2024-02-08 19:17:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007757429).
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 agm007757429
data_agm007757429
_cell_length_a 2.86445
_cell_length_b 6.55778
_cell_length_c 7.23439
_cell_angle_alpha 126.34883
_cell_angle_beta 78.75583
_cell_angle_gamma 102.50665
_cell_volume 106.47045
_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
Zn1 Zn 0.33992 0.54698 0.86746 1.00000
Zn2 Zn 0.66008 0.45302 0.13254 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Mo1 Mo 0.00000 0.50000 0.50000 1.00000
H1 H 0.57817 0.70375 0.54636 1.00000
H2 H 0.59057 0.10892 0.92549 1.00000
H3 H 0.42183 0.29625 0.45364 1.00000
H4 H 0.07695 0.85053 0.69634 1.00000
H5 H 0.92305 0.14947 0.30366 1.00000
H6 H 0.84923 0.33963 0.64549 1.00000
H7 H 0.15077 0.66037 0.35451 1.00000
H8 H 0.40943 0.89108 0.07451 1.00000
Get direct link