Er2TmN3
Alexandria ALEXAlex-ID: agm005659638 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_935_spg12
ErTm4N5 Er4TmN5
2023-08-23 20:13:28.427259
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659638).
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 agm005659638
data_agm005659638
_cell_length_a 5.92249
_cell_length_b 5.92249
_cell_length_c 5.92245
_cell_angle_alpha 99.59274
_cell_angle_beta 99.59273
_cell_angle_gamma 119.99931
_cell_volume 169.61928
_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 0.83334 0.16666 0.50000 1.00000
Er2 Er 0.33333 0.66667 0.00000 1.00000
Er3 Er 0.16657 0.83343 0.50000 1.00000
Er4 Er 0.50011 0.49989 0.50000 1.00000
Tm1 Tm 0.99999 0.00001 0.00000 1.00000
Tm2 Tm 0.66668 0.33332 0.00000 1.00000
N1 N 0.58467 0.91801 0.75106 1.00000
N2 N 0.08199 0.41533 0.24894 1.00000
N3 N 0.91604 0.58368 0.75104 1.00000
N4 N 0.25034 0.24938 0.75103 1.00000
N5 N 0.41632 0.08396 0.24897 1.00000
N6 N 0.75062 0.74966 0.24897 1.00000
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