Ca2PaPtO8
Alexandria ALEXAlex-ID: agm004899178 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_198_spg10
CaO8 Ca6PtO8 Ca2Pt3O8 CaPa2O6
2023-01-01 22:25:22.126625
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004899178).
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 agm004899178
data_agm004899178
_cell_length_a 4.53806
_cell_length_b 5.23426
_cell_length_c 6.85890
_cell_angle_alpha 90.01085
_cell_angle_beta 90.00395
_cell_angle_gamma 91.95246
_cell_volume 162.82751
_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 0.50019 0.50013 0.74790 1.00000
Ca2 Ca 0.49981 0.49987 0.25210 1.00000
Pa1 Pa 0.00000 0.00000 0.50000 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
O1 O 0.08137 0.76195 0.22516 1.00000
O2 O 0.58488 0.88493 0.00001 1.00000
O3 O 0.91871 0.23813 0.22521 1.00000
O4 O 0.91863 0.23805 0.77484 1.00000
O5 O 0.41512 0.11507 0.99999 1.00000
O6 O 0.08129 0.76187 0.77479 1.00000
O7 O 0.62048 0.76267 0.49995 1.00000
O8 O 0.37952 0.23733 0.50005 1.00000
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