LaPm2(NdBi2)3
Alexandria ALEXAlex-ID: agm032125320 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
PmNd3Bi4 Pm3NdBi4 LaBi
2025-01-02 15:34:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032125320).
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 agm032125320
data_agm032125320
_cell_length_a 7.99686
_cell_length_b 7.99686
_cell_length_c 7.99640
_cell_angle_alpha 80.41350
_cell_angle_beta 99.58650
_cell_angle_gamma 60.00529
_cell_volume 417.59715
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.33306 0.33306 0.00000 1.00000
Pm2 Pm 0.66694 0.66694 0.00000 1.00000
Nd1 Nd 0.16557 0.16557 0.50000 1.00000
Nd2 Nd 0.83443 0.83443 0.50000 1.00000
Nd3 Nd 0.50000 0.50000 0.50000 1.00000
Bi1 Bi 0.42010 0.91648 0.25048 1.00000
Bi2 Bi 0.25350 0.74650 0.75061 1.00000
Bi3 Bi 0.57990 0.08352 0.74952 1.00000
Bi4 Bi 0.08352 0.57990 0.25048 1.00000
Bi5 Bi 0.74650 0.25350 0.24939 1.00000
Bi6 Bi 0.91648 0.42010 0.74952 1.00000
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