Y8ThP4
Alexandria ALEXAlex-ID: agm097965028 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1597_spg6
Y6P5 Y2Th Y
2025-06-18 03:37:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097965028).
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 agm097965028
data_agm097965028
_cell_length_a 3.88323
_cell_length_b 10.32016
_cell_length_c 10.56153
_cell_angle_alpha 60.00928
_cell_angle_beta 89.99972
_cell_angle_gamma 89.99266
_cell_volume 366.58748
_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
Y1 Y 0.23079 0.29006 0.01596 1.00000
Y2 Y 0.23057 0.68205 0.31945 1.00000
Y3 Y 0.73040 0.58807 0.69469 1.00000
Y4 Y 0.73069 0.98278 0.65283 1.00000
Y5 Y 0.73109 0.99579 0.34595 1.00000
Y6 Y 0.73069 0.38614 0.29343 1.00000
Y7 Y 0.23071 0.27685 0.65061 1.00000
Y8 Y 0.23069 0.69064 0.96074 1.00000
Th1 Th 0.73112 0.98882 0.97733 1.00000
P1 P 0.23112 0.98539 0.17334 1.00000
P2 P 0.73073 0.48486 0.99444 1.00000
P3 P 0.73062 0.48765 0.49372 1.00000
P4 P 0.23079 0.16089 0.42750 1.00000
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