Y6HoTh3
Alexandria ALEXAlex-ID: agm005998075 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_705_spg11
Ho2Th Y5Ho Y2Th
2023-10-16 23:39:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998075).
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 agm005998075
data_agm005998075
_cell_length_a 3.50187
_cell_length_b 13.21435
_cell_length_c 14.28073
_cell_angle_alpha 82.39364
_cell_angle_beta 90.01108
_cell_angle_gamma 89.99757
_cell_volume 655.02437
_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 0.24960 0.37270 0.51990 1.00000
Y2 Y 0.75040 0.62730 0.48010 1.00000
Y3 Y 0.25006 0.93633 0.09773 1.00000
Y4 Y 0.74994 0.06367 0.90227 1.00000
Y5 Y 0.25008 0.87747 0.49935 1.00000
Y6 Y 0.74992 0.12253 0.50065 1.00000
Y7 Y 0.25023 0.77595 0.29656 1.00000
Y8 Y 0.74977 0.22405 0.70344 1.00000
Y9 Y 0.24991 0.57474 0.89925 1.00000
Y10 Y 0.75009 0.42526 0.10075 1.00000
Y11 Y 0.25015 0.25629 0.29513 1.00000
Y12 Y 0.74985 0.74371 0.70487 1.00000
Ho1 Ho 0.24989 0.31468 0.89473 1.00000
Ho2 Ho 0.75011 0.68532 0.10527 1.00000
Th1 Th 0.24987 0.99203 0.70244 1.00000
Th2 Th 0.75013 0.00797 0.29756 1.00000
Th3 Th 0.25037 0.52215 0.28811 1.00000
Th4 Th 0.74963 0.47785 0.71189 1.00000
Th5 Th 0.24995 0.82554 0.89803 1.00000
Th6 Th 0.75005 0.17446 0.10197 1.00000
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