NdTc2C3
Alexandria ALEXAlex-ID: agm005689863 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_78_spg63
Nd2Tc2C3 C Tc
2023-08-07 08:51:29.993434
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689863).
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 agm005689863
data_agm005689863
_cell_length_a 5.39313
_cell_length_b 7.89050
_cell_length_c 5.93757
_cell_angle_alpha 131.64068
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00003
_cell_volume 188.82708
_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 0.75000 0.32469 0.64938 1.00000
Nd2 Nd 0.25000 0.67531 0.35062 1.00000
Tc1 Tc 0.50000 0.17432 1.00000 1.00000
Tc2 Tc 0.50000 0.82568 0.00000 1.00000
Tc3 Tc 1.00000 0.82568 0.00000 1.00000
Tc4 Tc 0.00000 0.17432 1.00000 1.00000
C1 C 0.25000 0.59202 0.80198 1.00000
C2 C 0.75000 0.40798 0.19802 1.00000
C3 C 0.75000 0.79004 0.19802 1.00000
C4 C 0.25000 0.20996 0.80198 1.00000
C5 C 0.25000 0.08558 0.17115 1.00000
C6 C 0.75000 0.91442 0.82885 1.00000
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