SrDy(CO3)2
Alexandria ALEXAlex-ID: agm004945192 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_577_spg15
Dy2CO5 SrCO3 C CO2
2022-07-21 21:10:54.235830
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004945192).
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 agm004945192
data_agm004945192
_cell_length_a 6.32515
_cell_length_b 6.32515
_cell_length_c 6.83339
_cell_angle_alpha 102.75951
_cell_angle_beta 102.75951
_cell_angle_gamma 100.63904
_cell_volume 252.10176
_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 0.14218 0.85782 0.25000 1.00000
Sr2 Sr 0.85782 0.14218 0.75000 1.00000
Dy1 Dy 0.58798 0.41202 0.25000 1.00000
Dy2 Dy 0.41202 0.58798 0.75000 1.00000
C1 C 0.36026 0.12279 0.74399 1.00000
C2 C 0.87721 0.63974 0.75601 1.00000
C3 C 0.63974 0.87721 0.25601 1.00000
C4 C 0.12279 0.36026 0.24399 1.00000
O1 O 0.92711 0.40284 0.18250 1.00000
O2 O 0.59716 0.07289 0.31750 1.00000
O3 O 0.07289 0.59716 0.81750 1.00000
O4 O 0.40284 0.92711 0.68250 1.00000
O5 O 0.19176 0.21425 0.11534 1.00000
O6 O 0.78575 0.80824 0.38466 1.00000
O7 O 0.80824 0.78575 0.88466 1.00000
O8 O 0.21425 0.19176 0.61534 1.00000
O9 O 0.28721 0.52059 0.38938 1.00000
O10 O 0.47941 0.71279 0.11062 1.00000
O11 O 0.71279 0.47941 0.61062 1.00000
O12 O 0.52059 0.28721 0.88938 1.00000
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