ErMo3N4
Alexandria ALEXAlex-ID: agm058507437 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_13_spg13
MoN ErMoN2
2024-08-14 15:13:47.515764
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm058507437).
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 agm058507437
data_agm058507437
_cell_length_a 5.33880
_cell_length_b 5.55627
_cell_length_c 6.35167
_cell_angle_alpha 93.95546
_cell_angle_beta 86.96067
_cell_angle_gamma 109.74902
_cell_volume 176.82171
_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 0.76920 0.00541 0.86700 1.00000
Er2 Er 0.23080 0.99459 0.13300 1.00000
Mo1 Mo 0.73098 0.02806 0.40326 1.00000
Mo2 Mo 0.26902 0.97194 0.59674 1.00000
Mo3 Mo 0.72312 0.45330 0.64209 1.00000
Mo4 Mo 0.71180 0.50129 0.11218 1.00000
Mo5 Mo 0.27688 0.54670 0.35791 1.00000
Mo6 Mo 0.28820 0.49871 0.88782 1.00000
N1 N 0.03488 0.27392 0.61429 1.00000
N2 N 0.47671 0.22123 0.87209 1.00000
N3 N 0.48748 0.26840 0.38316 1.00000
N4 N 0.99320 0.28340 0.13968 1.00000
N5 N 0.00680 0.71660 0.86032 1.00000
N6 N 0.51252 0.73160 0.61684 1.00000
N7 N 0.52329 0.77877 0.12791 1.00000
N8 N 0.96512 0.72608 0.38571 1.00000
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