PmEr(WN3)2
Alexandria ALEXAlex-ID: agm004980554 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_561_spg15
PmEr(WN3)2
2022-07-29 01:45:06.597646
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004980554).
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 agm004980554
data_agm004980554
_cell_length_a 6.19613
_cell_length_b 7.26695
_cell_length_c 7.26695
_cell_angle_alpha 82.80202
_cell_angle_beta 75.73528
_cell_angle_gamma 75.73528
_cell_volume 306.61506
_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 0.25000 0.30366 0.69634 1.00000
Pm2 Pm 0.75000 0.69634 0.30366 1.00000
Er1 Er 0.25000 0.91296 0.08704 1.00000
Er2 Er 0.75000 0.08704 0.91296 1.00000
W1 W 0.24806 0.80224 0.61835 1.00000
W2 W 0.25194 0.38165 0.19775 1.00000
W3 W 0.75194 0.19775 0.38165 1.00000
W4 W 0.74806 0.61835 0.80224 1.00000
N1 N 0.14490 0.99794 0.78417 1.00000
N2 N 0.35510 0.21583 0.00206 1.00000
N3 N 0.85510 0.00206 0.21583 1.00000
N4 N 0.64490 0.78417 0.99794 1.00000
N5 N 0.33960 0.89467 0.37712 1.00000
N6 N 0.16040 0.62288 0.10533 1.00000
N7 N 0.66040 0.10533 0.62288 1.00000
N8 N 0.83960 0.37712 0.89467 1.00000
N9 N 0.02330 0.65429 0.62961 1.00000
N10 N 0.47670 0.37039 0.34571 1.00000
N11 N 0.97670 0.34571 0.37039 1.00000
N12 N 0.52330 0.62961 0.65429 1.00000
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