CaZn(H4Pt)2
Alexandria ALEXAlex-ID: agm007455727 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_771_spg2
CaH6Pt H2 ZnPt
2024-03-05 20:55:31.247097
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007455727).
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 agm007455727
data_agm007455727
_cell_length_a 4.99556
_cell_length_b 4.99556
_cell_length_c 7.62014
_cell_angle_alpha 71.52485
_cell_angle_beta 71.52485
_cell_angle_gamma 44.44294
_cell_volume 125.10882
_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 0.08336 0.91664 0.50000 1.00000
Zn1 Zn 0.08334 0.91666 0.00000 1.00000
H1 H 0.78104 0.61434 0.54834 1.00000
H2 H 0.84017 0.67346 0.81919 1.00000
H3 H 0.38566 0.21896 0.45166 1.00000
H4 H 0.32654 0.15983 0.18081 1.00000
H5 H 0.96339 0.79668 0.25301 1.00000
H6 H 0.51631 0.34960 0.72432 1.00000
H7 H 0.65040 0.48369 0.27568 1.00000
H8 H 0.20332 0.03661 0.74699 1.00000
Pt1 Pt 0.48467 0.31792 0.23185 1.00000
Pt2 Pt 0.68208 0.51533 0.76815 1.00000
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