CsPrP3HO10
Alexandria ALEXAlex-ID: agm006336992 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E10_9_spg2
CsPrP3HO10
2024-12-19 03:56:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006336992).
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 agm006336992
data_agm006336992
_cell_length_a 7.21284
_cell_length_b 8.02631
_cell_length_c 8.88523
_cell_angle_alpha 76.20122
_cell_angle_beta 75.80378
_cell_angle_gamma 82.63050
_cell_volume 482.95559
_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 0.30278 0.28662 0.98198 1.00000
Cs2 Cs 0.69722 0.71338 0.01802 1.00000
Pr1 Pr 0.72950 0.63351 0.50931 1.00000
Pr2 Pr 0.27050 0.36649 0.49069 1.00000
P1 P 0.81664 0.30916 0.34450 1.00000
P2 P 0.84038 0.24488 0.79963 1.00000
P3 P 0.15962 0.75512 0.20037 1.00000
P4 P 0.34367 0.94586 0.37485 1.00000
P5 P 0.18336 0.69084 0.65550 1.00000
P6 P 0.65633 0.05414 0.62515 1.00000
H1 H 0.18094 0.78266 0.93727 1.00000
H2 H 0.81906 0.21734 0.06273 1.00000
O1 O 0.77259 0.16640 0.98284 1.00000
O2 O 0.95667 0.37234 0.42081 1.00000
O3 O 0.46857 0.15988 0.65377 1.00000
O4 O 0.37299 0.57655 0.62371 1.00000
O5 O 0.65434 0.86120 0.65586 1.00000
O6 O 0.77453 0.11313 0.44471 1.00000
O7 O 0.20884 0.91394 0.26625 1.00000
O8 O 0.10906 0.70261 0.82700 1.00000
O9 O 0.22547 0.88687 0.55529 1.00000
O10 O 0.53143 0.84012 0.34623 1.00000
O11 O 0.79116 0.08606 0.73375 1.00000
O12 O 0.34566 0.13880 0.34414 1.00000
O13 O 0.94524 0.74172 0.25297 1.00000
O14 O 0.89094 0.29739 0.17300 1.00000
O15 O 0.28610 0.59468 0.25048 1.00000
O16 O 0.71390 0.40532 0.74952 1.00000
O17 O 0.04333 0.62766 0.57919 1.00000
O18 O 0.62701 0.42345 0.37629 1.00000
O19 O 0.05476 0.25828 0.74703 1.00000
O20 O 0.22741 0.83360 0.01716 1.00000
