ThBe2CdH8
Alexandria ALEXAlex-ID: agm007384000 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_973_spg12
Th4H15 BeH2 Cd CdH4
2025-05-27 06:59:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007384000).
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 agm007384000
data_agm007384000
_cell_length_a 4.26984
_cell_length_b 4.27068
_cell_length_c 9.08160
_cell_angle_alpha 100.46652
_cell_angle_beta 98.86806
_cell_angle_gamma 60.12359
_cell_volume 140.81213
_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
Th1 Th 0.50000 0.50000 0.50000 1.00000
Be1 Be 0.13159 0.10855 0.30474 1.00000
Be2 Be 0.86841 0.89145 0.69526 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
H1 H 0.16489 0.16220 0.48637 1.00000
H2 H 0.16931 0.75805 0.29016 1.00000
H3 H 0.83511 0.83780 0.51363 1.00000
H4 H 0.43283 0.14600 0.28818 1.00000
H5 H 0.56717 0.85400 0.71182 1.00000
H6 H 0.78327 0.40956 0.29005 1.00000
H7 H 0.21673 0.59044 0.70995 1.00000
H8 H 0.83069 0.24195 0.70984 1.00000
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