TmIO
Alexandria ALEXAlex-ID: agm002176576 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_49_spg12
TmIO
2018-06-17 05:15:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002176576).
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 agm002176576
data_agm002176576
_cell_length_a 4.01893
_cell_length_b 7.63314
_cell_length_c 10.86608
_cell_angle_alpha 93.74647
_cell_angle_beta 100.64715
_cell_angle_gamma 90.00041
_cell_volume 326.87551
_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
I1 I 0.11165 0.34840 0.22271 1.00000
I2 I 0.40969 0.15768 0.82013 1.00000
I3 I 0.59031 0.84232 0.17987 1.00000
I4 I 0.88835 0.65160 0.77729 1.00000
Tm1 Tm 0.29854 0.38517 0.59711 1.00000
Tm2 Tm 0.70038 0.11674 0.40074 1.00000
Tm3 Tm 0.70146 0.61483 0.40289 1.00000
Tm4 Tm 0.29962 0.88326 0.59926 1.00000
O1 O 0.24553 0.62741 0.49110 1.00000
O2 O 0.75372 0.87888 0.50741 1.00000
O3 O 0.75447 0.37259 0.50890 1.00000
O4 O 0.24628 0.12112 0.49259 1.00000
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