CeAs2H2Pt7
Alexandria ALEXAlex-ID: agm006554134 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_162_spg12
CePt5 As2Pt Pt H3Pt
2024-02-26 11:39:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006554134).
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 agm006554134
data_agm006554134
_cell_length_a 3.84971
_cell_length_b 4.54520
_cell_length_c 11.04494
_cell_angle_alpha 84.66153
_cell_angle_beta 77.98512
_cell_angle_gamma 86.50248
_cell_volume 188.03528
_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 0.00000 1.00000
As1 As 0.32287 0.21213 0.60853 1.00000
As2 As 0.67713 0.78787 0.39147 1.00000
H1 H 0.47747 0.73054 0.14587 1.00000
H2 H 0.52253 0.26946 0.85413 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Pt2 Pt 0.10888 0.73877 0.55866 1.00000
Pt3 Pt 0.89112 0.26123 0.44134 1.00000
Pt4 Pt 0.13644 0.48548 0.80317 1.00000
Pt5 Pt 0.62891 0.93347 0.78243 1.00000
Pt6 Pt 0.37109 0.06653 0.21757 1.00000
Pt7 Pt 0.86356 0.51452 0.19683 1.00000
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