Dy3Er(ThBi3)2
Alexandria ALEXAlex-ID: agm034290277 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Dy2ErThBi4 Dy3ThBi4 Th2Bi Th3Bi4
2024-12-05 03:00:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034290277).
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
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# CIF generated by HEAS from Alexandria entry agm034290277
data_agm034290277
_cell_length_a 7.83154
_cell_length_b 7.83154
_cell_length_c 7.80397
_cell_angle_alpha 80.37428
_cell_angle_beta 99.62572
_cell_angle_gamma 59.90441
_cell_volume 390.20083
_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
Dy1 Dy 0.16996 0.16996 0.00000 1.00000
Dy2 Dy 0.83004 0.83004 0.00000 1.00000
Dy3 Dy 0.50000 0.50000 0.00000 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Th1 Th 0.33456 0.33456 0.50000 1.00000
Th2 Th 0.66544 0.66544 0.50000 1.00000
Bi1 Bi 0.41136 0.91587 0.75394 1.00000
Bi2 Bi 0.24045 0.75955 0.24197 1.00000
Bi3 Bi 0.58864 0.08413 0.24606 1.00000
Bi4 Bi 0.08413 0.58864 0.75394 1.00000
Bi5 Bi 0.75955 0.24045 0.75803 1.00000
Bi6 Bi 0.91587 0.41136 0.24606 1.00000
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