Tb12Er2Tm5
Alexandria ALEXAlex-ID: agm005665348 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_311_spg2
Tb5Tm Tb5Er ErTm5
2023-06-26 11:55:44.011789
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665348).
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 agm005665348
data_agm005665348
_cell_length_a 6.11354
_cell_length_b 9.87661
_cell_length_c 11.47529
_cell_angle_alpha 119.78189
_cell_angle_beta 94.04970
_cell_angle_gamma 91.17658
_cell_volume 598.63476
_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
Tb1 Tb 0.91100 0.05527 0.24471 1.00000
Tb2 Tb 0.06739 0.65589 0.84002 1.00000
Tb3 Tb 0.59427 0.68058 0.00628 1.00000
Tb4 Tb 0.11966 0.63942 0.46278 1.00000
Tb5 Tb 0.61634 0.66246 0.32693 1.00000
Tb6 Tb 0.54571 0.99749 0.64806 1.00000
Tb7 Tb 0.45429 0.00251 0.35194 1.00000
Tb8 Tb 0.88034 0.36058 0.53722 1.00000
Tb9 Tb 0.38366 0.33754 0.67307 1.00000
Tb10 Tb 0.93261 0.34411 0.15998 1.00000
Tb11 Tb 0.40573 0.31942 0.99372 1.00000
Tb12 Tb 0.08900 0.94473 0.75529 1.00000
Er1 Er 0.72836 0.99784 0.94514 1.00000
Er2 Er 0.27164 0.00216 0.05486 1.00000
Tm1 Tm 0.56568 0.66884 0.66651 1.00000
Tm2 Tm 0.10118 0.67951 0.16174 1.00000
Tm3 Tm 0.00000 0.00000 0.50000 1.00000
Tm4 Tm 0.89882 0.32049 0.83826 1.00000
Tm5 Tm 0.43432 0.33116 0.33349 1.00000
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