SrCa3Sc2(WO6)2
Alexandria ALEXAlex-ID: agm010848635 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D3E12_4_spg160
Ca3WO6 Sr2ScWO6 SrWO4 Sc2O3 W
2025-01-26 19:45:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010848635).
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 agm010848635
data_agm010848635
_cell_length_a 5.65557
_cell_length_b 5.66804
_cell_length_c 9.82803
_cell_angle_alpha 74.19844
_cell_angle_beta 74.17138
_cell_angle_gamma 60.28554
_cell_volume 259.67787
_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
Sr1 Sr 0.37357 0.38296 0.86389 1.00000
Ca1 Ca 0.87482 0.89051 0.34800 1.00000
Ca2 Ca 0.13906 0.12802 0.59440 1.00000
Ca3 Ca 0.63866 0.62899 0.09422 1.00000
Sc1 Sc 0.75156 0.75219 0.74278 1.00000
Sc2 Sc 0.24892 0.25008 0.24943 1.00000
W1 W 0.99919 0.99954 0.00191 1.00000
W2 W 0.49898 0.50021 0.50035 1.00000
O1 O 0.80538 0.93924 0.89033 1.00000
O2 O 0.28235 0.46780 0.38896 1.00000
O3 O 0.13942 0.70251 0.63383 1.00000
O4 O 0.63802 0.19792 0.13578 1.00000
O5 O 0.92852 0.37710 0.88972 1.00000
O6 O 0.45391 0.87724 0.38968 1.00000
O7 O 0.70457 0.52136 0.62735 1.00000
O8 O 0.20136 0.02597 0.12992 1.00000
O9 O 0.37403 0.81223 0.88473 1.00000
O10 O 0.87142 0.28801 0.38365 1.00000
O11 O 0.53650 0.13039 0.62376 1.00000
O12 O 0.03976 0.62773 0.12730 1.00000
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