Cs5GeP3
Alexandria ALEXAlex-ID: agm005240685 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_43_spg62
Cs5GeP3
2024-10-09 05:31:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005240685).
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 agm005240685
data_agm005240685
_cell_length_a 14.63082
_cell_length_b 6.00363
_cell_length_c 16.23816
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1426.32882
_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 0.55932 0.25000 0.54903 1.00000
Cs2 Cs 0.05932 0.25000 0.95097 1.00000
Cs3 Cs 0.44068 0.75000 0.45097 1.00000
Cs4 Cs 0.94068 0.75000 0.04903 1.00000
Cs5 Cs 0.60754 0.25000 0.30949 1.00000
Cs6 Cs 0.10754 0.25000 0.19051 1.00000
Cs7 Cs 0.39246 0.75000 0.69051 1.00000
Cs8 Cs 0.89246 0.75000 0.80949 1.00000
Cs9 Cs 0.84200 0.25000 0.44690 1.00000
Cs10 Cs 0.34200 0.25000 0.05310 1.00000
Cs11 Cs 0.15800 0.75000 0.55310 1.00000
Cs12 Cs 0.65800 0.75000 0.94690 1.00000
Cs13 Cs 0.26231 0.25000 0.78929 1.00000
Cs14 Cs 0.76231 0.25000 0.71071 1.00000
Cs15 Cs 0.73769 0.75000 0.21071 1.00000
Cs16 Cs 0.23769 0.75000 0.28929 1.00000
Cs17 Cs 0.03163 0.25000 0.63212 1.00000
Cs18 Cs 0.53163 0.25000 0.86788 1.00000
Cs19 Cs 0.96837 0.75000 0.36788 1.00000
Cs20 Cs 0.46837 0.75000 0.13212 1.00000
Ge1 Ge 0.26155 0.25000 0.43892 1.00000
Ge2 Ge 0.76155 0.25000 0.06108 1.00000
Ge3 Ge 0.73845 0.75000 0.56108 1.00000
Ge4 Ge 0.23845 0.75000 0.93892 1.00000
P1 P 0.10728 0.25000 0.41252 1.00000
P2 P 0.60728 0.25000 0.08748 1.00000
P3 P 0.89272 0.75000 0.58748 1.00000
P4 P 0.39272 0.75000 0.91252 1.00000
P5 P 0.30566 0.25000 0.57451 1.00000
P6 P 0.80566 0.25000 0.92549 1.00000
P7 P 0.69434 0.75000 0.42549 1.00000
P8 P 0.19434 0.75000 0.07451 1.00000
P9 P 0.36756 0.25000 0.33533 1.00000
P10 P 0.86756 0.25000 0.16467 1.00000
P11 P 0.63244 0.75000 0.66467 1.00000
P12 P 0.13244 0.75000 0.83533 1.00000
