CsTbP3HO10
Alexandria ALEXAlex-ID: agm006337055 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E10_9_spg2
CsTbP3HO10
2024-12-31 08:00:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006337055).
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 agm006337055
data_agm006337055
_cell_length_a 7.04819
_cell_length_b 7.84551
_cell_length_c 8.82819
_cell_angle_alpha 76.23397
_cell_angle_beta 76.42787
_cell_angle_gamma 82.10936
_cell_volume 459.18874
_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 0.31020 0.28630 0.98049 1.00000
Cs2 Cs 0.68980 0.71370 0.01951 1.00000
Tb1 Tb 0.72824 0.62980 0.50893 1.00000
Tb2 Tb 0.27176 0.37020 0.49107 1.00000
P1 P 0.81954 0.31242 0.34409 1.00000
P2 P 0.84883 0.24615 0.79193 1.00000
P3 P 0.15117 0.75385 0.20807 1.00000
P4 P 0.34061 0.94974 0.38123 1.00000
P5 P 0.18046 0.68758 0.65591 1.00000
P6 P 0.65939 0.05026 0.61877 1.00000
H1 H 0.17177 0.77636 0.94258 1.00000
H2 H 0.82823 0.22364 0.05742 1.00000
O1 O 0.78482 0.16862 0.97636 1.00000
O2 O 0.96121 0.37414 0.42441 1.00000
O3 O 0.46776 0.16041 0.64591 1.00000
O4 O 0.37540 0.57153 0.62063 1.00000
O5 O 0.65797 0.85281 0.64966 1.00000
O6 O 0.78042 0.11027 0.43905 1.00000
O7 O 0.20398 0.91857 0.26950 1.00000
O8 O 0.10665 0.69342 0.82952 1.00000
O9 O 0.21958 0.88973 0.56095 1.00000
O10 O 0.53224 0.83959 0.35409 1.00000
O11 O 0.79602 0.08143 0.73050 1.00000
O12 O 0.34203 0.14719 0.35034 1.00000
O13 O 0.93281 0.74097 0.26294 1.00000
O14 O 0.89335 0.30658 0.17048 1.00000
O15 O 0.28332 0.58988 0.25844 1.00000
O16 O 0.71668 0.41012 0.74156 1.00000
O17 O 0.03879 0.62586 0.57559 1.00000
O18 O 0.62460 0.42847 0.37937 1.00000
O19 O 0.06719 0.25903 0.73706 1.00000
O20 O 0.21518 0.83138 0.02364 1.00000
