Tm6Mn2HO
Alexandria ALEXAlex-ID: agm007178184 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_379_spg139
Tm2Mn17 TmH2 Tm2O3 Tm
2024-03-06 04:27:33.253295
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007178184).
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 agm007178184
data_agm007178184
_cell_length_a 6.50950
_cell_length_b 6.65956
_cell_length_c 6.66380
_cell_angle_alpha 106.06047
_cell_angle_beta 67.87986
_cell_angle_gamma 124.94806
_cell_volume 218.64928
_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 0.98321 0.73449 0.68254 1.00000
Tm2 Tm 0.50891 0.78340 0.12833 1.00000
Tm3 Tm 0.92346 0.68203 0.18937 1.00000
Tm4 Tm 0.05382 0.28712 0.83711 1.00000
Tm5 Tm 0.46127 0.18643 0.91047 1.00000
Tm6 Tm 0.99300 0.24379 0.34650 1.00000
Mn1 Mn 0.52876 0.76103 0.61470 1.00000
Mn2 Mn 0.45091 0.22114 0.42627 1.00000
H1 H 0.11606 0.62100 0.34551 1.00000
O1 O 0.98061 0.97957 0.01919 1.00000
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