CrIn(H4Pt)2
Alexandria ALEXAlex-ID: agm007307374 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_263_spg2
In2Pt3 CrH H10Pt InPt
2024-02-08 18:15:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007307374).
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 agm007307374
data_agm007307374
_cell_length_a 4.51880
_cell_length_b 4.66752
_cell_length_c 6.70102
_cell_angle_alpha 104.86522
_cell_angle_beta 87.21419
_cell_angle_gamma 120.37810
_cell_volume 117.29073
_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 0.00000 0.00000 0.00000 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
H1 H 0.71025 0.09460 0.16649 1.00000
H2 H 0.41184 0.43387 0.13659 1.00000
H3 H 0.10284 0.73250 0.11597 1.00000
H4 H 0.28975 0.90540 0.83351 1.00000
H5 H 0.58816 0.56613 0.86341 1.00000
H6 H 0.89716 0.26750 0.88403 1.00000
H7 H 0.86801 0.47664 0.60589 1.00000
H8 H 0.13199 0.52336 0.39411 1.00000
Pt1 Pt 0.58424 0.21554 0.72428 1.00000
Pt2 Pt 0.41576 0.78446 0.27572 1.00000
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