Mn2CdH8
Alexandria ALEXAlex-ID: agm006458206 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1740_spg12
CdH4 MnH2
2023-12-26 16:43:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006458206).
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 agm006458206
data_agm006458206
_cell_length_a 2.74826
_cell_length_b 5.02851
_cell_length_c 6.70191
_cell_angle_alpha 112.22229
_cell_angle_beta 101.83157
_cell_angle_gamma 90.00000
_cell_volume 83.60910
_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
H1 H 0.69234 0.85913 0.38468 1.00000
H2 H 0.30773 0.47542 0.61546 1.00000
H3 H 0.14423 0.14320 0.28846 1.00000
H4 H 0.03163 0.53136 0.06327 1.00000
H5 H 0.85577 0.85680 0.71154 1.00000
H6 H 0.69227 0.52458 0.38454 1.00000
H7 H 0.30766 0.14087 0.61532 1.00000
H8 H 0.96837 0.46864 0.93673 1.00000
Mn1 Mn 0.26873 0.76884 0.53746 1.00000
Mn2 Mn 0.73127 0.23116 0.46254 1.00000
Cd1 Cd 0.50000 0.00000 0.00000 1.00000
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