K2BePtO4
Alexandria ALEXAlex-ID: agm004763370 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_378_spg70
K3PtO4 K3Pt3O8 K4(PtO2)3 BeO
2022-07-17 23:22:47.689107
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004763370).
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 agm004763370
data_agm004763370
_cell_length_a 5.28303
_cell_length_b 6.33982
_cell_length_c 9.61837
_cell_angle_alpha 83.42943
_cell_angle_beta 74.05989
_cell_angle_gamma 65.37645
_cell_volume 281.59735
_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
K1 K 0.17600 1.00000 0.64801 1.00000
K2 K 0.82400 0.00000 0.35199 1.00000
K3 K 0.57400 0.50000 0.85199 1.00000
K4 K 0.92600 0.50000 0.14801 1.00000
Be1 Be 0.75000 0.50000 0.50000 1.00000
Be2 Be 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.25000 0.50000 0.50000 1.00000
Pt2 Pt 0.50000 0.00000 0.00000 1.00000
O1 O 0.24038 0.84394 0.08631 1.00000
O2 O 0.17063 0.15606 0.91369 1.00000
O3 O 0.91568 0.84394 0.91369 1.00000
O4 O 0.67331 0.15606 0.08631 1.00000
O5 O 0.50962 0.65606 0.41369 1.00000
O6 O 0.57937 0.34394 0.58631 1.00000
O7 O 0.83432 0.65606 0.58631 1.00000
O8 O 0.07669 0.34394 0.41369 1.00000
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