TbCO4
Alexandria ALEXAlex-ID: agm005778632 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2778_spg11
Tb(CO3)2 TbO2
2023-07-27 12:39:54.341887
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778632).
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 agm005778632
data_agm005778632
_cell_length_a 3.88946
_cell_length_b 5.61113
_cell_length_c 9.19220
_cell_angle_alpha 90.00000
_cell_angle_beta 90.64948
_cell_angle_gamma 90.00000
_cell_volume 200.59991
_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 0.24869 0.75000 0.44550 1.00000
Tb2 Tb 0.75131 0.25000 0.55450 1.00000
C1 C 0.97596 0.75000 0.90549 1.00000
C2 C 0.02404 0.25000 0.09451 1.00000
O1 O 0.16685 0.75000 0.00592 1.00000
O2 O 0.83315 0.25000 0.99408 1.00000
O3 O 0.78143 0.75000 0.80712 1.00000
O4 O 0.21857 0.25000 0.19288 1.00000
O5 O 0.25306 0.04708 0.61112 1.00000
O6 O 0.74694 0.54708 0.38888 1.00000
O7 O 0.25306 0.45292 0.61112 1.00000
O8 O 0.74694 0.95292 0.38888 1.00000
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