Ce2AsHPt6
Alexandria ALEXAlex-ID: agm007287705 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_39_spg8
CeAsHPt Ce(HPt)3 CePt3 As2Pt
2024-03-16 07:29:21.681683
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007287705).
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 agm007287705
data_agm007287705
_cell_length_a 5.74996
_cell_length_b 5.74996
_cell_length_c 6.95417
_cell_angle_alpha 65.30725
_cell_angle_beta 65.30725
_cell_angle_gamma 59.84530
_cell_volume 174.18642
_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 0.60206 0.60206 0.72214 1.00000
Ce2 Ce 0.14540 0.14540 0.07279 1.00000
As1 As 0.86295 0.86295 0.92063 1.00000
H1 H 0.37732 0.37732 0.09301 1.00000
Pt1 Pt 0.63271 0.14220 0.61165 1.00000
Pt2 Pt 0.60475 0.08808 0.24298 1.00000
Pt3 Pt 0.59415 0.59415 0.23821 1.00000
Pt4 Pt 0.13978 0.13978 0.61821 1.00000
Pt5 Pt 0.14220 0.63271 0.61165 1.00000
Pt6 Pt 0.08808 0.60475 0.24298 1.00000
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