Er3TmZr2N6
Alexandria ALEXAlex-ID: agm043513482 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Er2TmZrN4 Er4TmZr3N8
2024-12-19 10:51:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043513482).
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 agm043513482
data_agm043513482
_cell_length_a 5.80736
_cell_length_b 5.80736
_cell_length_c 5.82122
_cell_angle_alpha 80.43963
_cell_angle_beta 99.56037
_cell_angle_gamma 59.98542
_cell_volume 160.33852
_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 0.16642 0.16642 0.00000 1.00000
Er2 Er 0.83358 0.83358 0.00000 1.00000
Er3 Er 0.50000 0.50000 0.00000 1.00000
Tm1 Tm 0.00000 0.00000 0.50000 1.00000
Zr1 Zr 0.33345 0.33345 0.50000 1.00000
Zr2 Zr 0.66655 0.66655 0.50000 1.00000
N1 N 0.41989 0.91993 0.73979 1.00000
N2 N 0.26077 0.73923 0.26164 1.00000
N3 N 0.58011 0.08007 0.26021 1.00000
N4 N 0.08007 0.58011 0.73979 1.00000
N5 N 0.73923 0.26077 0.73836 1.00000
N6 N 0.91993 0.41989 0.26021 1.00000
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