Nd6Sb5As
Alexandria ALEXAlex-ID: agm006126384 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
NdSb NdAs
2023-08-18 12:02:55.976878
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006126384).
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 agm006126384
data_agm006126384
_cell_length_a 7.76522
_cell_length_b 7.77111
_cell_length_c 7.76773
_cell_angle_alpha 59.98557
_cell_angle_beta 80.38914
_cell_angle_gamma 70.50250
_cell_volume 382.60601
_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
Sb1 Sb 0.50000 0.17009 0.65982 1.00000
Sb2 Sb 1.00000 0.33398 0.33205 1.00000
Sb3 Sb 0.50000 0.50000 0.00000 1.00000
Sb4 Sb 0.00000 0.66602 0.66795 1.00000
Sb5 Sb 0.50000 0.82991 0.34018 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.75649 0.08097 0.32353 1.00000
Nd2 Nd 0.24351 0.59550 0.32353 1.00000
Nd3 Nd 0.24637 0.24114 0.00000 1.00000
Nd4 Nd 0.75363 0.75886 1.00000 1.00000
Nd5 Nd 0.75649 0.40450 0.67647 1.00000
Nd6 Nd 0.24351 0.91903 0.67647 1.00000
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