La2Y(ThAs2)3
Alexandria ALEXAlex-ID: agm025187971 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
LaTh4As5 Y3ThAs4 La2ThAs3
2025-03-10 14:58:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025187971).
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
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# CIF generated by HEAS from Alexandria entry agm025187971
data_agm025187971
_cell_length_a 9.55130
_cell_length_b 9.55130
_cell_length_c 8.54457
_cell_angle_alpha 76.93276
_cell_angle_beta 103.06724
_cell_angle_gamma 154.17097
_cell_volume 330.35415
_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 0.16660 0.83340 0.33521 1.00000
La2 La 0.83340 0.16660 0.66479 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.50000 0.50000 0.00000 1.00000
Th2 Th 0.83366 0.16634 0.16807 1.00000
Th3 Th 0.16634 0.83366 0.83193 1.00000
As1 As 0.33712 0.66288 0.41288 1.00000
As2 As 0.33376 0.66624 0.92119 1.00000
As3 As 0.66288 0.33712 0.58712 1.00000
As4 As 0.00147 0.99853 0.74771 1.00000
As5 As 0.99853 0.00147 0.25229 1.00000
As6 As 0.66624 0.33376 0.07881 1.00000
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