PmCO4
Alexandria ALEXAlex-ID: agm005778611 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2781_spg14
Pm(CO3)2 PmO2
2023-07-27 12:12:38.843582
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778611).
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 agm005778611
data_agm005778611
_cell_length_a 6.57439
_cell_length_b 7.00610
_cell_length_c 6.65963
_cell_angle_alpha 89.99977
_cell_angle_beta 90.00026
_cell_angle_gamma 95.50988
_cell_volume 305.33064
_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 0.44631 0.25139 0.82822 1.00000
Pm2 Pm 0.05369 0.24861 0.32822 1.00000
Pm3 Pm 0.94631 0.75139 0.67178 1.00000
Pm4 Pm 0.55369 0.74861 0.17178 1.00000
C1 C 0.95988 0.23669 0.82237 1.00000
C2 C 0.54012 0.26331 0.32237 1.00000
C3 C 0.45988 0.73669 0.67763 1.00000
C4 C 0.04012 0.76331 0.17763 1.00000
O1 O 0.60287 0.00005 0.95004 1.00000
O2 O 0.99812 0.11247 0.68159 1.00000
O3 O 0.69565 0.17001 0.31844 1.00000
O4 O 0.40484 0.23681 0.46779 1.00000
O5 O 0.80434 0.32999 0.81844 1.00000
O6 O 0.09516 0.26319 0.96779 1.00000
O7 O 0.50188 0.38753 0.18158 1.00000
O8 O 0.89713 0.49995 0.45004 1.00000
O9 O 0.10287 0.50005 0.54996 1.00000
O10 O 0.49812 0.61247 0.81842 1.00000
O11 O 0.90484 0.73681 0.03221 1.00000
O12 O 0.19566 0.67001 0.18156 1.00000
O13 O 0.59516 0.76319 0.53221 1.00000
O14 O 0.30435 0.82999 0.68156 1.00000
O15 O 0.00188 0.88753 0.31841 1.00000
O16 O 0.39713 0.99995 0.04996 1.00000
