CsHo(PO3)4
Alexandria ALEXAlex-ID: agm022043906 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_29_spg4
Ho(PO3)3 CsPO3
2025-01-21 09:01:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022043906).
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 agm022043906
data_agm022043906
_cell_length_a 7.07561
_cell_length_b 9.13554
_cell_length_c 8.77176
_cell_angle_alpha 90.00000
_cell_angle_beta 100.18813
_cell_angle_gamma 90.00000
_cell_volume 558.06218
_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 0.66967 0.66767 0.17519 1.00000
Cs2 Cs 0.33033 0.16767 0.82481 1.00000
Ho1 Ho 0.80198 0.50306 0.69751 1.00000
Ho2 Ho 0.19802 0.00306 0.30249 1.00000
P1 P 0.64089 0.13630 0.53852 1.00000
P2 P 0.35911 0.63630 0.46148 1.00000
P3 P 0.05777 0.39281 0.37972 1.00000
P4 P 0.94223 0.89281 0.62028 1.00000
P5 P 0.31457 0.57697 0.77830 1.00000
P6 P 0.68543 0.07697 0.22170 1.00000
P7 P 0.08256 0.77680 0.93238 1.00000
P8 P 0.91744 0.27680 0.06762 1.00000
O1 O 0.84987 0.74572 0.59165 1.00000
O2 O 0.15013 0.24572 0.40835 1.00000
O3 O 0.21182 0.51992 0.36709 1.00000
O4 O 0.78818 0.01992 0.63291 1.00000
O5 O 0.28185 0.67180 0.61983 1.00000
O6 O 0.71815 0.17180 0.38017 1.00000
O7 O 0.55003 0.56155 0.49861 1.00000
O8 O 0.44997 0.06155 0.50139 1.00000
O9 O 0.52084 0.52951 0.81947 1.00000
O10 O 0.47916 0.02951 0.18053 1.00000
O11 O 0.05353 0.90231 0.79983 1.00000
O12 O 0.94647 0.40231 0.20017 1.00000
O13 O 0.07939 0.16827 0.09692 1.00000
O14 O 0.92061 0.66827 0.90308 1.00000
O15 O 0.12976 0.85119 0.08472 1.00000
O16 O 0.87024 0.35119 0.91528 1.00000
O17 O 0.92089 0.44763 0.47847 1.00000
O18 O 0.07911 0.94763 0.52153 1.00000
O19 O 0.71620 0.20184 0.09729 1.00000
O20 O 0.28380 0.70184 0.90271 1.00000
O21 O 0.34059 0.77347 0.36722 1.00000
O22 O 0.65941 0.27347 0.63278 1.00000
O23 O 0.84406 0.96639 0.23352 1.00000
O24 O 0.15594 0.46639 0.76648 1.00000
