Ce3P4Ru7
Alexandria ALEXAlex-ID: agm008554270 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_37_spg12
Ce3(PRu)4 CePRu2 Ce5P12Ru19
2024-03-17 23:28:58.011373
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008554270).
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 agm008554270
data_agm008554270
_cell_length_a 8.07494
_cell_length_b 8.07494
_cell_length_c 9.14577
_cell_angle_alpha 53.55541
_cell_angle_beta 53.55541
_cell_angle_gamma 28.71994
_cell_volume 226.36249
_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
Ce1 Ce 0.32663 0.32663 0.17636 1.00000
Ce2 Ce 0.67337 0.67337 0.82364 1.00000
Ce3 Ce 0.00000 0.00000 0.50000 1.00000
P1 P 0.66465 0.66465 0.45309 1.00000
P2 P 0.33535 0.33535 0.54691 1.00000
P3 P 0.88704 0.88704 0.89031 1.00000
P4 P 0.11296 0.11296 0.10969 1.00000
Ru1 Ru 0.30202 0.30202 0.84511 1.00000
Ru2 Ru 0.49703 0.49703 0.23543 1.00000
Ru3 Ru 0.83666 0.83666 0.40434 1.00000
Ru4 Ru 0.69798 0.69798 0.15489 1.00000
Ru5 Ru 0.16334 0.16334 0.59566 1.00000
Ru6 Ru 0.00000 0.00000 0.00000 1.00000
Ru7 Ru 0.50297 0.50297 0.76457 1.00000
Get direct link