CeAl(H4Pt)2
Alexandria ALEXAlex-ID: agm007307452 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1074_spg2
CeH6Pt H2 AlPt
2024-02-09 12:13:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007307452).
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 agm007307452
data_agm007307452
_cell_length_a 4.48515
_cell_length_b 4.57016
_cell_length_c 6.63994
_cell_angle_alpha 88.02694
_cell_angle_beta 104.19699
_cell_angle_gamma 117.74644
_cell_volume 116.27037
_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
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
H1 H 0.31353 0.29018 0.24711 1.00000
H2 H 0.82250 0.41078 0.26550 1.00000
H3 H 0.58037 0.83211 0.13635 1.00000
H4 H 0.68647 0.70982 0.75289 1.00000
H5 H 0.17750 0.58922 0.73450 1.00000
H6 H 0.41963 0.16789 0.86365 1.00000
H7 H 0.62594 0.25290 0.54334 1.00000
H8 H 0.37406 0.74710 0.45666 1.00000
Pt1 Pt 0.80407 0.39466 0.79336 1.00000
Pt2 Pt 0.19593 0.60534 0.20664 1.00000
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