HfCd(H4Pt)2
Alexandria ALEXAlex-ID: agm007447236 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_523_spg2
CdH4 Hf4H15 HfPt3 H2
2025-05-27 21:50:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007447236).
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 agm007447236
data_agm007447236
_cell_length_a 3.60014
_cell_length_b 4.90495
_cell_length_c 7.87834
_cell_angle_alpha 75.22983
_cell_angle_beta 76.91310
_cell_angle_gamma 68.45533
_cell_volume 123.75224
_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
Hf1 Hf 0.74983 0.04394 0.04053 1.00000
Cd1 Cd 0.82370 0.37761 0.55494 1.00000
H1 H 0.35039 0.85669 0.02658 1.00000
H2 H 0.60285 0.52056 0.85673 1.00000
H3 H 0.94526 0.89332 0.79922 1.00000
H4 H 0.29083 0.14438 0.85613 1.00000
H5 H 0.16270 0.02657 0.23309 1.00000
H6 H 0.48887 0.38964 0.21746 1.00000
H7 H 0.79178 0.73119 0.27197 1.00000
H8 H 0.18385 0.60625 0.60561 1.00000
Pt1 Pt 0.11930 0.51455 0.82953 1.00000
Pt2 Pt 0.99064 0.39529 0.20823 1.00000
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