Er2Tm3ThBi6
Alexandria ALEXAlex-ID: agm004622601 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Er2TmThBi4 Tm4ThBi5 ErTm3Bi4
2022-06-27 04:49:16.130252
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004622601).
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 agm004622601
data_agm004622601
_cell_length_a 4.47302
_cell_length_b 8.93218
_cell_length_c 9.97669
_cell_angle_alpha 102.86557
_cell_angle_beta 102.95429
_cell_angle_gamma 90.00000
_cell_volume 378.18699
_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
Er1 Er 0.83146 0.66460 0.66291 1.00000
Er2 Er 0.16854 0.33540 0.33709 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Tm2 Tm 0.83431 0.16941 0.66863 1.00000
Tm3 Tm 0.16569 0.83059 0.33137 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Bi1 Bi 0.33004 0.91637 0.66009 1.00000
Bi2 Bi 0.66590 0.58324 0.33179 1.00000
Bi3 Bi 0.66996 0.08363 0.33991 1.00000
Bi4 Bi 0.00094 0.25931 0.00189 1.00000
Bi5 Bi 0.99906 0.74069 0.99811 1.00000
Bi6 Bi 0.33410 0.41676 0.66821 1.00000
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