Tm2(CrN2)3
Alexandria ALEXAlex-ID: agm012000362 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_204_spg65
CrN2 CrN TmN
2024-08-14 19:24:28.775708
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012000362).
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 agm012000362
data_agm012000362
_cell_length_a 3.41920
_cell_length_b 3.65748
_cell_length_c 9.66698
_cell_angle_alpha 79.09204
_cell_angle_beta 89.14599
_cell_angle_gamma 89.99457
_cell_volume 118.69432
_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
Tm1 Tm 0.75781 0.81407 0.37197 1.00000
Tm2 Tm 0.24219 0.18593 0.62803 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Cr2 Cr 0.25882 0.40880 0.18235 1.00000
Cr3 Cr 0.74118 0.59120 0.81765 1.00000
N1 N 0.73256 0.09401 0.81196 1.00000
N2 N 0.22757 0.54880 0.90221 1.00000
N3 N 0.26744 0.90599 0.18804 1.00000
N4 N 0.77243 0.45120 0.09779 1.00000
N5 N 0.25134 0.30536 0.38927 1.00000
N6 N 0.74866 0.69464 0.61073 1.00000
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