Tb3P2Cl
Alexandria ALEXAlex-ID: agm005805630 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1467_spg63
Tb6P5Cl Tb2PCl2 Tb
2023-08-24 06:31:00.989824
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005805630).
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 agm005805630
data_agm005805630
_cell_length_a 4.04208
_cell_length_b 7.57209
_cell_length_c 11.09671
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.48029
_cell_volume 327.31578
_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 0.63118 0.26237 0.00527 1.00000
Tb2 Tb 0.98304 0.96608 0.75000 1.00000
Tb3 Tb 0.63118 0.26237 0.49473 1.00000
Tb4 Tb 0.01696 0.03392 0.25000 1.00000
Tb5 Tb 0.36882 0.73763 0.99473 1.00000
Tb6 Tb 0.36882 0.73763 0.50527 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
P2 P 0.00000 0.00000 0.50000 1.00000
P3 P 0.64620 0.29239 0.25000 1.00000
P4 P 0.35380 0.70761 0.75000 1.00000
Cl1 Cl 0.37209 0.74417 0.25000 1.00000
Cl2 Cl 0.62791 0.25583 0.75000 1.00000
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