TbMoIO4
Alexandria ALEXAlex-ID: agm005047701 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_554_spg12
TbMoO4 I
2022-07-16 04:12:48.637017
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005047701).
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 agm005047701
data_agm005047701
_cell_length_a 6.55795
_cell_length_b 6.55795
_cell_length_c 7.13471
_cell_angle_alpha 76.57001
_cell_angle_beta 76.57001
_cell_angle_gamma 67.34163
_cell_volume 271.90776
_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
Tb1 Tb 0.24461 0.24461 0.86741 1.00000
Tb2 Tb 0.75539 0.75539 0.13259 1.00000
Mo1 Mo 0.63538 0.63538 0.73513 1.00000
Mo2 Mo 0.36462 0.36462 0.26487 1.00000
I1 I 0.01749 0.01749 0.24724 1.00000
I2 I 0.98251 0.98251 0.75276 1.00000
O1 O 0.30248 0.30248 0.52414 1.00000
O2 O 0.69752 0.69752 0.47586 1.00000
O3 O 0.11527 0.49709 0.14828 1.00000
O4 O 0.53490 0.53490 0.20190 1.00000
O5 O 0.50291 0.88473 0.85172 1.00000
O6 O 0.49709 0.11527 0.14828 1.00000
O7 O 0.46510 0.46510 0.79810 1.00000
O8 O 0.88473 0.50291 0.85172 1.00000
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