Ba2Tm(ReN3)2
Alexandria ALEXAlex-ID: agm004574348 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_245_spg12
Ba2Tm(ReN3)2
2022-06-24 06:09:59.815417
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004574348).
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 agm004574348
data_agm004574348
_cell_length_a 6.13215
_cell_length_b 6.21621
_cell_length_c 7.25540
_cell_angle_alpha 118.75594
_cell_angle_beta 90.00000
_cell_angle_gamma 119.55366
_cell_volume 200.44459
_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
Ba1 Ba 0.71553 0.43105 0.19056 1.00000
Ba2 Ba 0.28447 0.56895 0.80944 1.00000
Tm1 Tm 0.50000 0.00000 0.50000 1.00000
Re1 Re 0.95843 0.91685 0.79525 1.00000
Re2 Re 0.04157 0.08315 0.20475 1.00000
N1 N 0.75943 0.51885 0.64850 1.00000
N2 N 0.20094 0.91607 0.23757 1.00000
N3 N 0.28487 0.08393 0.76243 1.00000
N4 N 0.79906 0.08393 0.76243 1.00000
N5 N 0.71513 0.91607 0.23757 1.00000
N6 N 0.24057 0.48115 0.35150 1.00000
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