LuCo(CO3)2
Alexandria ALEXAlex-ID: agm002258167 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_29_spg148
CoCO3 Lu2O3 C CO2
2018-10-06 16:20:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002258167).
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
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# CIF generated by HEAS from Alexandria entry agm002258167
data_agm002258167
_cell_length_a 4.91869
_cell_length_b 4.91986
_cell_length_c 5.96833
_cell_angle_alpha 65.60847
_cell_angle_beta 65.71884
_cell_angle_gamma 59.96931
_cell_volume 109.98171
_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
C1 C 0.74864 0.74943 0.75310 1.00000
C2 C 0.25136 0.25057 0.24690 1.00000
Lu1 Lu 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.50000 0.50000 0.50000 1.00000
O1 O 0.00923 0.48188 0.75387 1.00000
O2 O 0.48109 0.75581 0.75382 1.00000
O3 O 0.24508 0.99001 0.24636 1.00000
O4 O 0.99077 0.51812 0.24613 1.00000
O5 O 0.51891 0.24419 0.24618 1.00000
O6 O 0.75492 0.00999 0.75364 1.00000
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