Ca2HPdPt
Alexandria ALEXAlex-ID: agm007633602 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1539_spg11
Ca4(H2Pt)3 Ca3Pt2 CaPd2 CaH2
2024-04-22 10:04:45.576316
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007633602).
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 agm007633602
data_agm007633602
_cell_length_a 4.28939
_cell_length_b 5.96831
_cell_length_c 8.19385
_cell_angle_alpha 70.13572
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 197.28494
_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 0.25000 0.78419 0.40964 1.00000
Ca2 Ca 0.25000 0.76342 0.93715 1.00000
Ca3 Ca 0.75000 0.21581 0.59036 1.00000
Ca4 Ca 0.75000 0.23658 0.06285 1.00000
H1 H 0.75000 0.86691 0.03768 1.00000
H2 H 0.25000 0.13309 0.96232 1.00000
Pd1 Pd 0.75000 0.67540 0.68713 1.00000
Pd2 Pd 0.25000 0.32460 0.31287 1.00000
Pt1 Pt 0.75000 0.62382 0.21134 1.00000
Pt2 Pt 0.25000 0.37618 0.78866 1.00000
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