LaEr2(ThP2)3
Alexandria ALEXAlex-ID: agm004652467 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
LaTh4P5 Er3ThP4 La2ThP3
2022-06-28 19:12:21.289136
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004652467).
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 agm004652467
data_agm004652467
_cell_length_a 7.13141
_cell_length_b 7.13141
_cell_length_c 7.08520
_cell_angle_alpha 99.69043
_cell_angle_beta 99.69043
_cell_angle_gamma 119.92948
_cell_volume 294.09057
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.33275 0.66725 0.00000 1.00000
Er2 Er 0.66725 0.33275 0.00000 1.00000
Th1 Th 0.16468 0.83532 0.50000 1.00000
Th2 Th 0.83532 0.16468 0.50000 1.00000
Th3 Th 0.50000 0.50000 0.50000 1.00000
P1 P 0.91754 0.57493 0.75260 1.00000
P2 P 0.73871 0.73871 0.24468 1.00000
P3 P 0.08246 0.42507 0.24740 1.00000
P4 P 0.57493 0.91754 0.75260 1.00000
P5 P 0.26129 0.26129 0.75532 1.00000
P6 P 0.42507 0.08246 0.24740 1.00000
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