CaFe(H4Pt)2
Alexandria ALEXAlex-ID: agm007307180 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_293_spg12
CaH6Pt Fe11Pt13 FeH H10Pt
2024-03-16 02:11:13.622466
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007307180).
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 agm007307180
data_agm007307180
_cell_length_a 4.46199
_cell_length_b 4.64499
_cell_length_c 6.38753
_cell_angle_alpha 99.33608
_cell_angle_beta 93.00632
_cell_angle_gamma 117.24915
_cell_volume 114.91848
_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
Ca1 Ca 0.00000 0.00000 0.50000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
H1 H 0.71254 0.97305 0.79819 1.00000
H2 H 0.16517 0.62966 0.87301 1.00000
H3 H 0.30386 0.13246 0.82986 1.00000
H4 H 0.28746 0.02695 0.20181 1.00000
H5 H 0.83483 0.37034 0.12699 1.00000
H6 H 0.69614 0.86754 0.17014 1.00000
H7 H 0.35423 0.61199 0.41703 1.00000
H8 H 0.64577 0.38801 0.58297 1.00000
Pt1 Pt 0.26814 0.62960 0.16780 1.00000
Pt2 Pt 0.73186 0.37040 0.83220 1.00000
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