PH3Pt5
Alexandria ALEXAlex-ID: agm072376909 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1189_spg1
H3Pt P2Pt5 Pt
2024-09-25 20:15:51.794260
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072376909).
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 agm072376909
data_agm072376909
_cell_length_a 3.55109
_cell_length_b 5.59297
_cell_length_c 5.74704
_cell_angle_alpha 91.44541
_cell_angle_beta 107.79460
_cell_angle_gamma 89.94097
_cell_volume 108.64472
_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
P1 P 0.36305 0.29221 0.61894 1.00000
H1 H 0.69360 0.91823 0.28281 1.00000
H2 H 0.11233 0.12602 0.12749 1.00000
H3 H 0.62475 0.46575 0.14664 1.00000
Pt1 Pt 0.16519 0.43706 0.22702 1.00000
Pt2 Pt 0.55178 0.76545 0.99938 1.00000
Pt3 Pt 0.25055 0.92152 0.39770 1.00000
Pt4 Pt 0.95222 0.08274 0.79993 1.00000
Pt5 Pt 0.88261 0.57288 0.65967 1.00000
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