Er3Tm2ScBi6
Alexandria ALEXAlex-ID: agm004620249 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
ErTm3Bi4 Er3TmBi4 ScBi
2022-06-29 03:29:45.651593
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004620249).
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 agm004620249
data_agm004620249
_cell_length_a 4.41354
_cell_length_b 8.82941
_cell_length_c 9.86602
_cell_angle_alpha 102.85216
_cell_angle_beta 102.92489
_cell_angle_gamma 90.00000
_cell_volume 364.83834
_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 0.50000 0.50000 0.00000 1.00000
Er2 Er 0.83192 0.16589 0.66383 1.00000
Er3 Er 0.16808 0.83411 0.33617 1.00000
Tm1 Tm 0.83421 0.66747 0.66842 1.00000
Tm2 Tm 0.16579 0.33253 0.33158 1.00000
Sc1 Sc 0.50000 0.00000 0.00000 1.00000
Bi1 Bi 0.33683 0.91794 0.67366 1.00000
Bi2 Bi 0.66707 0.58276 0.33413 1.00000
Bi3 Bi 0.66317 0.08206 0.32634 1.00000
Bi4 Bi 0.99932 0.24140 0.99864 1.00000
Bi5 Bi 0.00068 0.75860 0.00136 1.00000
Bi6 Bi 0.33293 0.41724 0.66587 1.00000
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