Nd2TmZrN4
Alexandria ALEXAlex-ID: agm017609868 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
Tm2ZrN3 NdN NdZrN2
2024-06-27 10:03:16.420728
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017609868).
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 agm017609868
data_agm017609868
_cell_length_a 6.95394
_cell_length_b 6.95394
_cell_length_c 6.95394
_cell_angle_alpha 119.70437
_cell_angle_beta 120.21245
_cell_angle_gamma 90.07261
_cell_volume 237.92502
_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 0.00000 0.50000 0.00000 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.50000 0.00000 0.50000 1.00000
Nd4 Nd 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.50000 0.00000 0.00000 1.00000
Tm2 Tm 0.50000 0.50000 0.50000 1.00000
Zr1 Zr 0.00000 0.50000 0.50000 1.00000
Zr2 Zr 0.50000 0.50000 0.00000 1.00000
N1 N 0.27429 0.26275 0.01154 1.00000
N2 N 0.75121 0.26275 0.48846 1.00000
N3 N 0.24879 0.73725 0.51154 1.00000
N4 N 0.72571 0.73725 0.98846 1.00000
N5 N 0.74431 0.26637 0.02206 1.00000
N6 N 0.74431 0.72226 0.47794 1.00000
N7 N 0.25569 0.27774 0.52206 1.00000
N8 N 0.25569 0.73363 0.97794 1.00000
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