PmTm2O6
Alexandria ALEXAlex-ID: agm097697984 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3898_spg2
TmO2 PmO2
2025-04-07 04:19:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097697984).
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
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# CIF generated by HEAS from Alexandria entry agm097697984
data_agm097697984
_cell_length_a 3.79162
_cell_length_b 4.16017
_cell_length_c 8.71757
_cell_angle_alpha 88.83659
_cell_angle_beta 90.01405
_cell_angle_gamma 89.99971
_cell_volume 137.48075
_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 0.50017 0.77530 0.26098 1.00000
Tm1 Tm 0.00008 0.26977 0.00453 1.00000
Tm2 Tm 0.99982 0.74165 0.66159 1.00000
O1 O 0.50002 0.98245 0.92029 1.00000
O2 O 0.49972 0.75117 0.52313 1.00000
O3 O 0.00016 0.77093 0.12169 1.00000
O4 O 0.99988 0.23994 0.74746 1.00000
O5 O 0.50018 0.28227 0.15831 1.00000
O6 O 0.49998 0.68652 0.85203 1.00000
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