Tb3NdC8
Alexandria ALEXAlex-ID: agm005972040 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_135_spg121
Nd2C3 Tb4C7 C
2023-09-07 20:04:41.229748
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005972040).
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 agm005972040
data_agm005972040
_cell_length_a 6.30252
_cell_length_b 6.31648
_cell_length_c 6.30268
_cell_angle_alpha 66.07640
_cell_angle_beta 79.21102
_cell_angle_gamma 113.92270
_cell_volume 190.18058
_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
Tb1 Tb 0.74773 0.49999 0.75232 1.00000
Tb2 Tb 0.24774 0.50001 0.25231 1.00000
Tb3 Tb 0.50019 1.00000 0.49984 1.00000
Nd1 Nd 0.00005 1.00000 0.00001 1.00000
C1 C 0.08891 1.00000 0.57295 1.00000
C2 C 0.57428 0.66277 0.42573 1.00000
C3 C 0.91151 0.33723 0.08850 1.00000
C4 C 0.42709 0.00000 0.91110 1.00000
C5 C 0.87974 1.00000 0.60013 1.00000
C6 C 0.60247 0.48190 0.39754 1.00000
C7 C 0.12057 0.51810 0.87944 1.00000
C8 C 0.39990 0.00000 0.12027 1.00000
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