CeTl(PO3)2
Alexandria ALEXAlex-ID: agm004945488 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1864_spg15
Tl3PO4 TlP5 TlPO3 CePO4
2022-07-31 04:38:08.184680
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004945488).
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 agm004945488
data_agm004945488
_cell_length_a 6.96313
_cell_length_b 6.96313
_cell_length_c 11.08515
_cell_angle_alpha 110.78448
_cell_angle_beta 110.78448
_cell_angle_gamma 110.98149
_cell_volume 391.19606
_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
Ce1 Ce 0.59353 0.40647 0.25000 1.00000
Ce2 Ce 0.40647 0.59353 0.75000 1.00000
Tl1 Tl 0.18142 0.81858 0.25000 1.00000
Tl2 Tl 0.81858 0.18142 0.75000 1.00000
P1 P 0.28958 0.06719 0.81157 1.00000
P2 P 0.93281 0.71042 0.68843 1.00000
P3 P 0.71042 0.93281 0.18843 1.00000
P4 P 0.06719 0.28958 0.31157 1.00000
O1 O 0.97139 0.44961 0.28342 1.00000
O2 O 0.55039 0.02861 0.21658 1.00000
O3 O 0.02861 0.55039 0.71658 1.00000
O4 O 0.44961 0.97139 0.78342 1.00000
O5 O 0.21813 0.26488 0.24013 1.00000
O6 O 0.73512 0.78187 0.25987 1.00000
O7 O 0.78187 0.73512 0.75987 1.00000
O8 O 0.26488 0.21813 0.74013 1.00000
O9 O 0.20876 0.37916 0.48276 1.00000
O10 O 0.62084 0.79124 0.01724 1.00000
O11 O 0.79124 0.62084 0.51724 1.00000
O12 O 0.37916 0.20876 0.98276 1.00000
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