Tm(CO3)2
Alexandria ALEXAlex-ID: agm005686889 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1938_spg15
CO2 TmO2
2023-07-06 14:23:31.656702
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686889).
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 agm005686889
data_agm005686889
_cell_length_a 6.18325
_cell_length_b 6.12922
_cell_length_c 6.18325
_cell_angle_alpha 74.80557
_cell_angle_beta 82.90616
_cell_angle_gamma 74.80556
_cell_volume 217.86011
_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 0.85689 0.75000 0.14311 1.00000
Tm2 Tm 0.14311 0.25000 0.85689 1.00000
C1 C 0.39861 0.78846 0.13737 1.00000
C2 C 0.86263 0.71154 0.60139 1.00000
C3 C 0.60139 0.21154 0.86263 1.00000
C4 C 0.13737 0.28846 0.39861 1.00000
O1 O 0.22303 0.41873 0.47762 1.00000
O2 O 0.52238 0.08127 0.77697 1.00000
O3 O 0.77697 0.58127 0.52238 1.00000
O4 O 0.47762 0.91873 0.22303 1.00000
O5 O 0.11909 0.09655 0.54123 1.00000
O6 O 0.45877 0.40345 0.88091 1.00000
O7 O 0.88091 0.90345 0.45877 1.00000
O8 O 0.54123 0.59655 0.11909 1.00000
O9 O 0.19755 0.85627 0.06357 1.00000
O10 O 0.93643 0.64373 0.80245 1.00000
O11 O 0.80245 0.14373 0.93643 1.00000
O12 O 0.06357 0.35627 0.19755 1.00000
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