La2Y12Tm5
Alexandria ALEXAlex-ID: agm005653985 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_344_spg2
Y5Tm LaY2 YTm2
2023-06-26 19:22:14.286856
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653985).
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 agm005653985
data_agm005653985
_cell_length_a 6.17109
_cell_length_b 11.29859
_cell_length_c 15.56886
_cell_angle_alpha 130.80087
_cell_angle_beta 86.21147
_cell_angle_gamma 123.16765
_cell_volume 610.79296
_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 0.95121 0.05395 0.13343 1.00000
La2 La 0.04879 0.94605 0.86657 1.00000
Y1 Y 0.10936 0.89633 0.24000 1.00000
Y2 Y 0.20692 0.78522 0.97147 1.00000
Y3 Y 0.46645 0.52076 0.81221 1.00000
Y4 Y 0.15684 0.84118 0.60243 1.00000
Y5 Y 0.42120 0.57997 0.44776 1.00000
Y6 Y 0.63211 0.36838 0.91983 1.00000
Y7 Y 0.36789 0.63162 0.08017 1.00000
Y8 Y 0.84316 0.15882 0.39757 1.00000
Y9 Y 0.57880 0.42003 0.55224 1.00000
Y10 Y 0.79308 0.21478 0.02853 1.00000
Y11 Y 0.53355 0.47924 0.18779 1.00000
Y12 Y 0.89064 0.10367 0.76000 1.00000
Tm1 Tm 0.31145 0.68097 0.70831 1.00000
Tm2 Tm 0.26737 0.74111 0.34517 1.00000
Tm3 Tm 0.00000 1.00000 0.50000 1.00000
Tm4 Tm 0.73263 0.25889 0.65483 1.00000
Tm5 Tm 0.68855 0.31903 0.29169 1.00000
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