TbCe2P3
Alexandria ALEXAlex-ID: agm005658397 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
Tb2CeP3 CeP
2023-08-24 08:28:20.985103
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658397).
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 agm005658397
data_agm005658397
_cell_length_a 5.75617
_cell_length_b 8.13563
_cell_length_c 12.20093
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99874
_cell_volume 571.36990
_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
Tb1 Tb 0.24968 0.87623 0.08339 1.00000
Tb2 Tb 0.24968 0.37623 0.41661 1.00000
Tb3 Tb 0.75032 0.62377 0.58339 1.00000
Tb4 Tb 0.75032 0.12377 0.91661 1.00000
Ce1 Ce 0.25060 0.87504 0.74943 1.00000
Ce2 Ce 0.25060 0.37504 0.75057 1.00000
Ce3 Ce 0.24968 0.87382 0.41685 1.00000
Ce4 Ce 0.24968 0.37382 0.08315 1.00000
Ce5 Ce 0.75032 0.62618 0.91685 1.00000
Ce6 Ce 0.75032 0.12618 0.58315 1.00000
Ce7 Ce 0.74940 0.62496 0.24943 1.00000
Ce8 Ce 0.74940 0.12496 0.25057 1.00000
P1 P 0.25030 0.62417 0.58327 1.00000
P2 P 0.25030 0.12417 0.91673 1.00000
P3 P 0.25032 0.62659 0.91724 1.00000
P4 P 0.25032 0.12659 0.58276 1.00000
P5 P 0.24936 0.62495 0.24991 1.00000
P6 P 0.24936 0.12495 0.25009 1.00000
P7 P 0.75064 0.87505 0.74991 1.00000
P8 P 0.75064 0.37505 0.75009 1.00000
P9 P 0.74968 0.87341 0.41724 1.00000
P10 P 0.74968 0.37341 0.08276 1.00000
P11 P 0.74970 0.87583 0.08327 1.00000
P12 P 0.74970 0.37583 0.41673 1.00000
