SrThVN3
Alexandria ALEXAlex-ID: agm005040656 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_393_spg11
Th2VN3 Sr2VN3
2022-07-09 06:13:34.304435
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005040656).
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 agm005040656
data_agm005040656
_cell_length_a 3.60524
_cell_length_b 7.70937
_cell_length_c 7.69428
_cell_angle_alpha 97.47214
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 212.04010
_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
Sr1 Sr 0.75000 0.83461 0.82147 1.00000
Sr2 Sr 0.25000 0.16539 0.17853 1.00000
Th1 Th 0.25000 0.63087 0.17805 1.00000
Th2 Th 0.75000 0.36913 0.82195 1.00000
V1 V 0.25000 0.09006 0.59022 1.00000
V2 V 0.75000 0.90994 0.40978 1.00000
N1 N 0.25000 0.84653 0.48261 1.00000
N2 N 0.75000 0.86971 0.16856 1.00000
N3 N 0.75000 0.41904 0.12827 1.00000
N4 N 0.75000 0.15347 0.51739 1.00000
N5 N 0.25000 0.58096 0.87173 1.00000
N6 N 0.25000 0.13029 0.83144 1.00000
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