TaCd(H4Pt)2
Alexandria ALEXAlex-ID: agm007447244 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_40_spg2
CdH4 H2 TaPt2
2025-05-27 07:04:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007447244).
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 agm007447244
data_agm007447244
_cell_length_a 3.24182
_cell_length_b 4.97430
_cell_length_c 9.18582
_cell_angle_alpha 118.80075
_cell_angle_beta 89.92931
_cell_angle_gamma 109.05363
_cell_volume 120.49661
_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
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.00000 0.00000 0.50000 1.00000
H1 H 0.37680 0.75365 0.94788 1.00000
H2 H 0.76970 0.53888 0.80771 1.00000
H3 H 0.11149 0.22521 0.86091 1.00000
H4 H 0.62320 0.24635 0.05212 1.00000
H5 H 0.88851 0.77479 0.13909 1.00000
H6 H 0.23030 0.46112 0.19229 1.00000
H7 H 0.62928 0.25405 0.30295 1.00000
H8 H 0.37072 0.74595 0.69705 1.00000
Pt1 Pt 0.56755 0.13724 0.77290 1.00000
Pt2 Pt 0.43245 0.86276 0.22710 1.00000
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