AcTl2PtO8
Alexandria ALEXAlex-ID: agm004890922 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_313_spg2
Tl2O3 AcO3 Tl2Pt2O7
2023-01-06 00:09:40.913566
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004890922).
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 agm004890922
data_agm004890922
_cell_length_a 4.74089
_cell_length_b 5.37699
_cell_length_c 7.12512
_cell_angle_alpha 79.46710
_cell_angle_beta 88.37328
_cell_angle_gamma 91.02074
_cell_volume 178.45010
_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
Ac1 Ac 0.00000 0.00000 0.50000 1.00000
Tl1 Tl 0.46667 0.43466 0.75017 1.00000
Tl2 Tl 0.53333 0.56534 0.24983 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
O1 O 0.07231 0.74046 0.23487 1.00000
O2 O 0.64820 0.80406 0.98394 1.00000
O3 O 0.83541 0.19303 0.17181 1.00000
O4 O 0.92769 0.25954 0.76513 1.00000
O5 O 0.35180 0.19594 0.01606 1.00000
O6 O 0.16459 0.80697 0.82819 1.00000
O7 O 0.53594 0.74921 0.52663 1.00000
O8 O 0.46406 0.25079 0.47337 1.00000
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