TmNb2CdN4
Alexandria ALEXAlex-ID: agm033124486 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_47_spg10
Tm(NbN2)2 Cd
2024-10-14 21:45:10.747857
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033124486).
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 agm033124486
data_agm033124486
_cell_length_a 3.20192
_cell_length_b 5.46096
_cell_length_c 5.89336
_cell_angle_alpha 71.68087
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 97.82640
_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
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Nb1 Nb 0.50000 0.00000 0.50000 1.00000
Nb2 Nb 0.00000 0.50000 0.50000 1.00000
Cd1 Cd 0.50000 0.50000 0.00000 1.00000
N1 N 0.50000 0.25342 0.73208 1.00000
N2 N 0.50000 0.74658 0.26792 1.00000
N3 N 0.00000 0.23476 0.27947 1.00000
N4 N 0.00000 0.76524 0.72053 1.00000
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