CrH4Pt
Alexandria ALEXAlex-ID: agm007363312 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_450_spg2
Cr3Pt5 H10Pt CrH
2025-05-27 16:27:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007363312).
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 agm007363312
data_agm007363312
_cell_length_a 4.66888
_cell_length_b 4.66687
_cell_length_c 5.36205
_cell_angle_alpha 100.22122
_cell_angle_beta 101.60564
_cell_angle_gamma 91.72250
_cell_volume 112.36677
_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
Cr1 Cr 0.74515 0.71876 0.50436 1.00000
Cr2 Cr 0.25732 0.20250 0.50428 1.00000
H1 H 0.44041 0.40006 0.24380 1.00000
H2 H 0.56774 0.52567 0.76278 1.00000
H3 H 0.44624 0.91623 0.27386 1.00000
H4 H 0.55530 0.01870 0.77012 1.00000
H5 H 0.92515 0.89120 0.24271 1.00000
H6 H 0.07870 0.52622 0.75511 1.00000
H7 H 0.91981 0.36841 0.17306 1.00000
H8 H 0.06482 0.01573 0.76212 1.00000
Pt1 Pt 0.18090 0.64322 0.23805 1.00000
Pt2 Pt 0.81845 0.27329 0.76975 1.00000
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