CsTm(PO3)2
Alexandria ALEXAlex-ID: agm004945554 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1895_spg15
CsTmP2O7 Cs3Tm(PO4)2 Cs3P11 TmPO4
2023-01-15 02:32:21.768108
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004945554).
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 agm004945554
data_agm004945554
_cell_length_a 6.99519
_cell_length_b 6.99519
_cell_length_c 8.63193
_cell_angle_alpha 101.21028
_cell_angle_beta 101.21028
_cell_angle_gamma 100.47514
_cell_volume 395.69301
_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
Cs1 Cs 0.16048 0.83952 0.25000 1.00000
Cs2 Cs 0.83952 0.16048 0.75000 1.00000
Tm1 Tm 0.65237 0.34763 0.25000 1.00000
Tm2 Tm 0.34763 0.65237 0.75000 1.00000
P1 P 0.36264 0.16988 0.84648 1.00000
P2 P 0.83012 0.63736 0.65352 1.00000
P3 P 0.63736 0.83012 0.15352 1.00000
P4 P 0.16988 0.36264 0.34648 1.00000
O1 O 0.97232 0.36833 0.23049 1.00000
O2 O 0.63167 0.02768 0.26951 1.00000
O3 O 0.02768 0.63167 0.76951 1.00000
O4 O 0.36833 0.97232 0.73049 1.00000
O5 O 0.32892 0.31041 0.25366 1.00000
O6 O 0.68959 0.67108 0.24634 1.00000
O7 O 0.67108 0.68959 0.74634 1.00000
O8 O 0.31041 0.32892 0.75366 1.00000
O9 O 0.25107 0.55865 0.48164 1.00000
O10 O 0.44135 0.74893 0.01836 1.00000
O11 O 0.74893 0.44135 0.51836 1.00000
O12 O 0.55865 0.25107 0.98164 1.00000
Get direct link