ErTm(WN3)2
Alexandria ALEXAlex-ID: agm057633355 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_13_spg15
ErWN3 TmWN3
2024-12-19 10:47:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm057633355).
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 agm057633355
data_agm057633355
_cell_length_a 7.15389
_cell_length_b 7.15389
_cell_length_c 5.88448
_cell_angle_alpha 79.73942
_cell_angle_beta 100.26058
_cell_angle_gamma 93.21357
_cell_volume 291.50930
_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
Er1 Er 0.09249 0.09249 0.75000 1.00000
Er2 Er 0.90751 0.90751 0.25000 1.00000
Tm1 Tm 0.71205 0.71205 0.75000 1.00000
Tm2 Tm 0.28795 0.28795 0.25000 1.00000
W1 W 0.61250 0.21081 0.78454 1.00000
W2 W 0.21081 0.61250 0.71546 1.00000
W3 W 0.38750 0.78919 0.21546 1.00000
W4 W 0.78919 0.38750 0.28454 1.00000
N1 N 0.78359 0.01252 0.85575 1.00000
N2 N 0.01252 0.78359 0.64425 1.00000
N3 N 0.21641 0.98748 0.14425 1.00000
N4 N 0.98748 0.21641 0.35575 1.00000
N5 N 0.38603 0.13504 0.63423 1.00000
N6 N 0.13504 0.38603 0.86577 1.00000
N7 N 0.61397 0.86496 0.36577 1.00000
N8 N 0.86496 0.61397 0.13423 1.00000
N9 N 0.58318 0.29723 0.06957 1.00000
N10 N 0.29723 0.58318 0.43043 1.00000
N11 N 0.41682 0.70277 0.93043 1.00000
N12 N 0.70277 0.41682 0.56957 1.00000
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