Cd2H8PtSe
Alexandria ALEXAlex-ID: agm007262263 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2007_spg2
CdH6Pt CdH4 Cd(H4Se)2 CdSe
2024-02-09 00:41:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007262263).
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 agm007262263
data_agm007262263
_cell_length_a 3.89294
_cell_length_b 6.28200
_cell_length_c 8.90298
_cell_angle_alpha 104.47038
_cell_angle_beta 88.80906
_cell_angle_gamma 104.64527
_cell_volume 203.76044
_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
Cd1 Cd 0.99260 0.01198 0.70656 1.00000
Cd2 Cd 0.00740 0.98802 0.29344 1.00000
H1 H 0.26948 0.54472 0.72734 1.00000
H2 H 0.91426 0.76810 0.06679 1.00000
H3 H 0.90065 0.77637 0.84794 1.00000
H4 H 0.73052 0.45528 0.27266 1.00000
H5 H 0.08574 0.23190 0.93321 1.00000
H6 H 0.09935 0.22363 0.15206 1.00000
H7 H 0.32077 0.47287 0.65342 1.00000
H8 H 0.67923 0.52713 0.34658 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.50000 0.00000 0.50000 1.00000
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