Pm2Er(ThBi2)3
Alexandria ALEXAlex-ID: agm004622693 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
PmEr2ThBi4 PmTh3Bi4 Pm3ThBi4
2022-06-28 15:36:53.153570
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004622693).
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 agm004622693
data_agm004622693
_cell_length_a 4.57158
_cell_length_b 9.11374
_cell_length_c 10.21284
_cell_angle_alpha 102.76139
_cell_angle_beta 102.93322
_cell_angle_gamma 90.00000
_cell_volume 403.92365
_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
Pm1 Pm 0.83339 0.66670 0.66677 1.00000
Pm2 Pm 0.16661 0.33330 0.33323 1.00000
Er1 Er 0.50000 0.00000 0.00000 1.00000
Th1 Th 0.50000 0.50000 0.00000 1.00000
Th2 Th 0.83129 0.16642 0.66258 1.00000
Th3 Th 0.16871 0.83358 0.33742 1.00000
Bi1 Bi 0.33709 0.91765 0.67418 1.00000
Bi2 Bi 0.66693 0.58174 0.33387 1.00000
Bi3 Bi 0.66291 0.08235 0.32582 1.00000
Bi4 Bi 0.99944 0.24215 0.99888 1.00000
Bi5 Bi 0.00056 0.75785 0.00112 1.00000
Bi6 Bi 0.33307 0.41826 0.66613 1.00000
Get direct link