Tm6CN2O3
Alexandria ALEXAlex-ID: agm042941985 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Tm6C2NO3 Tm6CN3O2 Tm Tm2O3
2024-12-16 10:59:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042941985).
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 agm042941985
data_agm042941985
_cell_length_a 5.88544
_cell_length_b 5.88544
_cell_length_c 5.87182
_cell_angle_alpha 80.38315
_cell_angle_beta 99.61685
_cell_angle_gamma 60.00585
_cell_volume 166.03023
_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 0.41363 0.91965 0.24053 1.00000
Tm2 Tm 0.25286 0.74714 0.75865 1.00000
Tm3 Tm 0.58637 0.08035 0.75947 1.00000
Tm4 Tm 0.08035 0.58637 0.24053 1.00000
Tm5 Tm 0.74714 0.25286 0.24135 1.00000
Tm6 Tm 0.91965 0.41363 0.75947 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
N1 N 0.33334 0.33334 0.00000 1.00000
N2 N 0.66666 0.66666 0.00000 1.00000
O1 O 0.16588 0.16588 0.50000 1.00000
O2 O 0.83412 0.83412 0.50000 1.00000
O3 O 0.50000 0.50000 0.50000 1.00000
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