TmPbF7
Alexandria ALEXAlex-ID: agm024241622 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
TmPbF7
2024-09-13 15:10:49.230957
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024241622).
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 agm024241622
data_agm024241622
_cell_length_a 5.78094
_cell_length_b 6.03090
_cell_length_c 8.32109
_cell_angle_alpha 76.64851
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 282.26746
_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 0.75915 0.65090 0.81385 1.00000
Tm2 Tm 0.25915 0.34910 0.18615 1.00000
Pb1 Pb 0.76044 0.81553 0.27220 1.00000
Pb2 Pb 0.26044 0.18447 0.72780 1.00000
F1 F 0.50693 0.48982 0.99701 1.00000
F2 F 0.00693 0.51018 0.00299 1.00000
F3 F 0.46571 0.89021 0.74555 1.00000
F4 F 0.96571 0.10979 0.25445 1.00000
F5 F 0.75040 0.77420 0.52706 1.00000
F6 F 0.25040 0.22580 0.47294 1.00000
F7 F 0.97975 0.95659 0.73865 1.00000
F8 F 0.47975 0.04341 0.26135 1.00000
F9 F 0.56320 0.38464 0.71044 1.00000
F10 F 0.06320 0.61536 0.28956 1.00000
F11 F 0.53479 0.53487 0.30158 1.00000
F12 F 0.03479 0.46513 0.69842 1.00000
F13 F 0.74151 0.87599 0.01546 1.00000
F14 F 0.24151 0.12401 0.98454 1.00000
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