TmTiF7
Alexandria ALEXAlex-ID: agm024230761 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
TmTiF7
2024-12-08 09:11:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024230761).
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 agm024230761
data_agm024230761
_cell_length_a 5.86318
_cell_length_b 5.59230
_cell_length_c 8.08705
_cell_angle_alpha 90.00000
_cell_angle_beta 104.31116
_cell_angle_gamma 90.00000
_cell_volume 256.93463
_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 0.64969 0.29809 0.19613 1.00000
Tm2 Tm 0.35031 0.79809 0.80387 1.00000
Ti1 Ti 0.82140 0.29654 0.72687 1.00000
Ti2 Ti 0.17860 0.79654 0.27313 1.00000
F1 F 0.49247 0.05515 0.99745 1.00000
F2 F 0.50753 0.55515 0.00255 1.00000
F3 F 0.94112 0.55901 0.26024 1.00000
F4 F 0.05888 0.05901 0.73976 1.00000
F5 F 0.93527 0.02875 0.25777 1.00000
F6 F 0.06473 0.52875 0.74223 1.00000
F7 F 0.40537 0.04301 0.29465 1.00000
F8 F 0.59463 0.54301 0.70535 1.00000
F9 F 0.77281 0.29691 0.48572 1.00000
F10 F 0.22719 0.79691 0.51428 1.00000
F11 F 0.87118 0.29481 0.96160 1.00000
F12 F 0.12882 0.79481 0.03840 1.00000
F13 F 0.40728 0.55124 0.29538 1.00000
F14 F 0.59272 0.05124 0.70462 1.00000
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