Mn2CdH8S
Alexandria ALEXAlex-ID: agm007444205 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1931_spg10
MnH2 CdS H2
2024-02-09 05:45:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007444205).
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 agm007444205
data_agm007444205
_cell_length_a 2.78047
_cell_length_b 4.55707
_cell_length_c 9.24789
_cell_angle_alpha 110.88503
_cell_angle_beta 90.01950
_cell_angle_gamma 89.95774
_cell_volume 109.47910
_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
Mn1 Mn 0.00018 0.64568 0.77837 1.00000
Mn2 Mn 0.99982 0.35432 0.22163 1.00000
Cd1 Cd 0.50000 0.50000 0.50000 1.00000
H1 H 0.99941 0.63337 0.16708 1.00000
H2 H 0.50043 0.46524 0.81496 1.00000
H3 H 0.49991 0.82099 0.72592 1.00000
H4 H 0.00059 0.36663 0.83292 1.00000
H5 H 0.50009 0.17901 0.27408 1.00000
H6 H 0.49957 0.53476 0.18504 1.00000
H7 H 0.99956 0.69650 0.35574 1.00000
H8 H 0.00044 0.30350 0.64426 1.00000
S1 S 0.00000 0.00000 0.00000 1.00000
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