Th2CdH7
Alexandria ALEXAlex-ID: agm006197487 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_975_spg12
ThH3 Th4H15 Cd
2023-10-31 13:32:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197487).
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 agm006197487
data_agm006197487
_cell_length_a 3.78998
_cell_length_b 3.81683
_cell_length_c 10.44815
_cell_angle_alpha 100.62392
_cell_angle_beta 75.42390
_cell_angle_gamma 120.22852
_cell_volume 126.08478
_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 0.90731 0.49128 0.32860 1.00000
H2 H 0.03917 0.22025 0.66502 1.00000
H3 H 0.73236 0.54274 0.61700 1.00000
H4 H 0.33789 0.13050 0.17792 1.00000
H5 H 0.47315 0.85567 0.49681 1.00000
H6 H 0.21411 0.16881 0.37663 1.00000
H7 H 0.60855 0.58095 0.81571 1.00000
Th1 Th 0.34284 0.89535 0.71094 1.00000
Th2 Th 0.60361 0.81614 0.28269 1.00000
Cd1 Cd 0.97340 0.35570 0.99685 1.00000
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