Pm2MoO8
Alexandria ALEXAlex-ID: agm005962874 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1989_spg12
Pm2(MoO4)3 PmO8 PmO2
2023-09-28 06:26:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962874).
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 agm005962874
data_agm005962874
_cell_length_a 5.11842
_cell_length_b 6.39534
_cell_length_c 6.39528
_cell_angle_alpha 112.05030
_cell_angle_beta 110.35536
_cell_angle_gamma 110.35771
_cell_volume 151.85523
_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 0.50000 0.31451 0.68549 1.00000
Pm2 Pm 0.50000 0.68549 0.31451 1.00000
Mo1 Mo 0.00001 0.00000 0.00000 1.00000
O1 O 0.66456 0.02542 0.76006 1.00000
O2 O 0.66456 0.76006 0.02541 1.00000
O3 O 0.85115 0.68058 0.68057 1.00000
O4 O 0.00000 0.70854 0.29146 1.00000
O5 O 0.99998 0.29146 0.70854 1.00000
O6 O 0.14885 0.31942 0.31943 1.00000
O7 O 0.33544 0.23994 0.97459 1.00000
O8 O 0.33544 0.97459 0.23994 1.00000
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