Cs6Pu2Mo4O21
Alexandria ALEXAlex-ID: agm009676399 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C6D21_4_spg2
CsPu2O6 Cs2Mo3O10 CsPuO4 Cs2MoO4
2024-12-24 17:54:30.097594
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009676399).
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 agm009676399
data_agm009676399
_cell_length_a 8.60392
_cell_length_b 8.50229
_cell_length_c 11.07393
_cell_angle_alpha 110.14513
_cell_angle_beta 89.68677
_cell_angle_gamma 97.21307
_cell_volume 753.89312
_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
Cs1 Cs 0.95485 0.38435 0.72346 1.00000
Cs2 Cs 0.72076 0.15913 0.96988 1.00000
Cs3 Cs 0.64870 0.04117 0.35934 1.00000
Cs4 Cs 0.04515 0.61565 0.27654 1.00000
Cs5 Cs 0.27924 0.84087 0.03012 1.00000
Cs6 Cs 0.35130 0.95883 0.64066 1.00000
Pu1 Pu 0.49040 0.47833 0.68541 1.00000
Pu2 Pu 0.50960 0.52167 0.31459 1.00000
Mo1 Mo 0.27372 0.32724 0.97003 1.00000
Mo2 Mo 0.81756 0.77532 0.60033 1.00000
Mo3 Mo 0.18244 0.22468 0.39967 1.00000
Mo4 Mo 0.72628 0.67276 0.02997 1.00000
O1 O 0.25362 0.30854 0.56689 1.00000
O2 O 0.57457 0.28112 0.62888 1.00000
O3 O 0.06786 0.30056 0.99130 1.00000
O4 O 0.42543 0.71888 0.37112 1.00000
O5 O 0.97488 0.21118 0.40121 1.00000
O6 O 0.69701 0.60667 0.16843 1.00000
O7 O 0.64934 0.86853 0.06222 1.00000
O8 O 0.35066 0.13147 0.93778 1.00000
O9 O 0.63190 0.51113 0.88641 1.00000
O10 O 0.30299 0.39333 0.83157 1.00000
O11 O 0.23988 0.01985 0.32357 1.00000
O12 O 0.02512 0.78882 0.59879 1.00000
O13 O 0.93214 0.69944 0.00870 1.00000
O14 O 0.74638 0.69146 0.43311 1.00000
O15 O 0.74247 0.63340 0.68495 1.00000
O16 O 0.40770 0.67568 0.74939 1.00000
O17 O 0.59230 0.32432 0.25061 1.00000
O18 O 0.36810 0.48887 0.11359 1.00000
O19 O 0.25753 0.36660 0.31505 1.00000
O20 O 0.76012 0.98015 0.67643 1.00000
O21 O 0.50000 0.50000 0.50000 1.00000
