PmY2CrN5
Alexandria ALEXAlex-ID: agm064053954 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_205_spg140
CrN2 Pm2CrN4 YN
2024-11-17 04:26:26.905887
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064053954).
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 agm064053954
data_agm064053954
_cell_length_a 7.16529
_cell_length_b 7.16529
_cell_length_c 7.16529
_cell_angle_alpha 125.39110
_cell_angle_beta 125.39110
_cell_angle_gamma 80.89124
_cell_volume 235.64151
_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
Pm1 Pm 0.75000 0.75000 0.00000 1.00000
Pm2 Pm 0.25000 0.25000 0.00000 1.00000
Y1 Y 0.32345 0.82345 0.14690 1.00000
Y2 Y 0.82345 0.67655 0.50000 1.00000
Y3 Y 0.17655 0.32345 0.50000 1.00000
Y4 Y 0.67655 0.17655 0.85310 1.00000
Cr1 Cr 0.75000 0.25000 0.50000 1.00000
Cr2 Cr 0.25000 0.75000 0.50000 1.00000
N1 N 0.79857 0.00461 0.50000 1.00000
N2 N 0.49539 0.70143 0.50000 1.00000
N3 N 0.20143 0.99539 0.50000 1.00000
N4 N 0.99539 0.49539 0.79397 1.00000
N5 N 0.70143 0.20143 0.20603 1.00000
N6 N 0.00461 0.50461 0.20603 1.00000
N7 N 0.29857 0.79857 0.79397 1.00000
N8 N 0.50461 0.29857 0.50000 1.00000
N9 N 0.00000 0.00000 0.00000 1.00000
N10 N 0.50000 0.50000 0.00000 1.00000
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