Ca(Tb3Nd)2
Alexandria ALEXAlex-ID: agm005683067 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1970_spg2
Tb5Nd Tb5Nd3 Ca
2023-07-06 15:16:12.472352
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683067).
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 agm005683067
data_agm005683067
_cell_length_a 7.27130
_cell_length_b 12.67200
_cell_length_c 11.59415
_cell_angle_alpha 133.62181
_cell_angle_beta 51.17070
_cell_angle_gamma 115.57382
_cell_volume 602.45793
_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
Ca1 Ca 0.37731 0.14484 0.97943 1.00000
Ca2 Ca 0.62269 0.85516 0.02057 1.00000
Tb1 Tb 0.21584 0.81207 0.63970 1.00000
Tb2 Tb 0.04304 0.48354 0.31800 1.00000
Tb3 Tb 0.78416 0.18793 0.36030 1.00000
Tb4 Tb 0.95696 0.51646 0.68200 1.00000
Tb5 Tb 0.75764 0.99714 0.48789 1.00000
Tb6 Tb 0.58115 0.66457 0.16934 1.00000
Tb7 Tb 0.24236 0.00286 0.51211 1.00000
Tb8 Tb 0.41885 0.33543 0.83066 1.00000
Tb9 Tb 0.11443 0.84958 0.02036 1.00000
Tb10 Tb 0.28003 0.18489 0.35648 1.00000
Tb11 Tb 0.88557 0.15042 0.97964 1.00000
Tb12 Tb 0.71997 0.81511 0.64352 1.00000
Nd1 Nd 0.45649 0.51665 0.68161 1.00000
Nd2 Nd 0.92475 0.33419 0.82911 1.00000
Nd3 Nd 0.54351 0.48335 0.31839 1.00000
Nd4 Nd 0.07525 0.66581 0.17089 1.00000
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