CsCeP3HO10
Alexandria ALEXAlex-ID: agm006336965 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E10_16_spg2
CsCeP3HO10
2024-12-08 13:33:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006336965).
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 agm006336965
data_agm006336965
_cell_length_a 7.22984
_cell_length_b 8.02776
_cell_length_c 8.87672
_cell_angle_alpha 76.20354
_cell_angle_beta 75.77663
_cell_angle_gamma 82.63602
_cell_volume 483.67151
_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 0.30263 0.28760 0.98172 1.00000
Cs2 Cs 0.69737 0.71240 0.01828 1.00000
Ce1 Ce 0.72888 0.63308 0.51015 1.00000
Ce2 Ce 0.27112 0.36692 0.48985 1.00000
P1 P 0.81749 0.30914 0.34380 1.00000
P2 P 0.84030 0.24382 0.80055 1.00000
P3 P 0.15970 0.75618 0.19945 1.00000
P4 P 0.34322 0.94556 0.37499 1.00000
P5 P 0.18251 0.69086 0.65620 1.00000
P6 P 0.65678 0.05444 0.62501 1.00000
H1 H 0.18027 0.78345 0.93612 1.00000
H2 H 0.81973 0.21655 0.06388 1.00000
O1 O 0.77368 0.16477 0.98378 1.00000
O2 O 0.95793 0.37175 0.41982 1.00000
O3 O 0.46967 0.16056 0.65396 1.00000
O4 O 0.37152 0.57660 0.62428 1.00000
O5 O 0.65380 0.86145 0.65573 1.00000
O6 O 0.77490 0.11314 0.44458 1.00000
O7 O 0.20860 0.91448 0.26606 1.00000
O8 O 0.10830 0.70348 0.82771 1.00000
O9 O 0.22510 0.88686 0.55542 1.00000
O10 O 0.53033 0.83944 0.34604 1.00000
O11 O 0.79140 0.08552 0.73394 1.00000
O12 O 0.34620 0.13855 0.34427 1.00000
O13 O 0.94571 0.74214 0.25288 1.00000
O14 O 0.89170 0.29652 0.17229 1.00000
O15 O 0.28604 0.59561 0.24889 1.00000
O16 O 0.71396 0.40439 0.75111 1.00000
O17 O 0.04207 0.62825 0.58018 1.00000
O18 O 0.62848 0.42340 0.37572 1.00000
O19 O 0.05429 0.25786 0.74712 1.00000
O20 O 0.22632 0.83523 0.01622 1.00000
