Nd3Th7Cd4
Alexandria ALEXAlex-ID: agm008819600 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_32_spg12
NdCd2 Th NdCd
2024-05-28 15:25:39.129067
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008819600).
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 agm008819600
data_agm008819600
_cell_length_a 8.53610
_cell_length_b 8.53610
_cell_length_c 12.08306
_cell_angle_alpha 53.11131
_cell_angle_beta 53.11131
_cell_angle_gamma 38.61338
_cell_volume 423.98612
_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
Nd1 Nd 0.41772 0.41772 0.30432 1.00000
Nd2 Nd 0.58228 0.58228 0.69568 1.00000
Nd3 Nd 0.50000 0.50000 0.50000 1.00000
Th1 Th 0.14646 0.14646 0.41969 1.00000
Th2 Th 0.63180 0.63180 0.93064 1.00000
Th3 Th 0.27409 0.27409 0.87385 1.00000
Th4 Th 0.85354 0.85354 0.58031 1.00000
Th5 Th 0.72591 0.72591 0.12615 1.00000
Th6 Th 0.00000 0.00000 0.00000 1.00000
Th7 Th 0.36820 0.36820 0.06936 1.00000
Cd1 Cd 0.06438 0.06438 0.22367 1.00000
Cd2 Cd 0.93562 0.93562 0.77633 1.00000
Cd3 Cd 0.78808 0.78808 0.34820 1.00000
Cd4 Cd 0.21192 0.21192 0.65180 1.00000
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