Tm2PaSnO8
Alexandria ALEXAlex-ID: agm004900538 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
TmO2 TmPaO4 SnO2
2023-01-07 10:41:45.799897
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900538).
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 agm004900538
data_agm004900538
_cell_length_a 5.03028
_cell_length_b 5.02935
_cell_length_c 6.85251
_cell_angle_alpha 89.99993
_cell_angle_beta 89.99988
_cell_angle_gamma 91.67672
_cell_volume 173.28777
_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
Tm1 Tm 0.49998 0.49998 0.75789 1.00000
Tm2 Tm 0.50002 0.50002 0.24211 1.00000
Pa1 Pa 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
O1 O 0.18796 0.81100 0.24204 1.00000
O2 O 0.70766 0.70853 0.99998 1.00000
O3 O 0.81200 0.18896 0.24204 1.00000
O4 O 0.81204 0.18900 0.75796 1.00000
O5 O 0.29234 0.29147 0.00002 1.00000
O6 O 0.18800 0.81104 0.75796 1.00000
O7 O 0.69752 0.69860 0.50002 1.00000
O8 O 0.30248 0.30140 0.49998 1.00000
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