Pm(CO3)2
Alexandria ALEXAlex-ID: agm005653720 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_773_spg15
Pm(CO3)2
2023-07-06 14:32:04.071929
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653720).
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 agm005653720
data_agm005653720
_cell_length_a 6.84486
_cell_length_b 6.43335
_cell_length_c 6.43335
_cell_angle_alpha 72.81746
_cell_angle_beta 61.79726
_cell_angle_gamma 61.79726
_cell_volume 219.07357
_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
Pm1 Pm 0.25000 0.18741 0.81259 1.00000
Pm2 Pm 0.75000 0.81259 0.18741 1.00000
C1 C 0.36372 0.66948 0.78014 1.00000
C2 C 0.13628 0.21986 0.33052 1.00000
C3 C 0.63628 0.33052 0.21986 1.00000
C4 C 0.86372 0.78014 0.66948 1.00000
O1 O 0.48521 0.77881 0.60253 1.00000
O2 O 0.01479 0.39747 0.22119 1.00000
O3 O 0.51479 0.22119 0.39747 1.00000
O4 O 0.98521 0.60253 0.77881 1.00000
O5 O 0.92797 0.79371 0.44710 1.00000
O6 O 0.57203 0.55290 0.20629 1.00000
O7 O 0.07203 0.20629 0.55290 1.00000
O8 O 0.42797 0.44710 0.79371 1.00000
O9 O 0.17921 0.79677 0.94663 1.00000
O10 O 0.32079 0.05337 0.20323 1.00000
O11 O 0.82079 0.20323 0.05337 1.00000
O12 O 0.67921 0.94663 0.79677 1.00000
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