ErTm2N6
Alexandria ALEXAlex-ID: agm097225909 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1702_spg12
ErTm4N5 ErN6 TmN
2025-04-07 03:32:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097225909).
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 agm097225909
data_agm097225909
_cell_length_a 3.73588
_cell_length_b 4.65090
_cell_length_c 7.33935
_cell_angle_alpha 90.10283
_cell_angle_beta 96.95768
_cell_angle_gamma 90.00232
_cell_volume 126.58333
_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 0.55389 0.55533 0.29651 1.00000
Tm1 Tm 0.00924 0.05477 0.08923 1.00000
Tm2 Tm 0.05648 0.05605 0.56443 1.00000
N1 N 0.43063 0.05542 0.87649 1.00000
N2 N 0.20306 0.55605 0.54617 1.00000
N3 N 0.03040 0.55483 0.13251 1.00000
N4 N 0.97754 0.55627 0.65459 1.00000
N5 N 0.59604 0.05540 0.32472 1.00000
N6 N 0.64272 0.05589 0.76536 1.00000
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