ErPbF7
Alexandria ALEXAlex-ID: agm024172965 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
ErPbF7
2024-09-13 16:48:10.227603
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024172965).
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 agm024172965
data_agm024172965
_cell_length_a 5.81396
_cell_length_b 6.06378
_cell_length_c 8.34833
_cell_angle_alpha 76.69671
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 286.41869
_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
Er1 Er 0.75901 0.15137 0.81338 1.00000
Er2 Er 0.25901 0.84863 0.18662 1.00000
Pb1 Pb 0.76005 0.31512 0.27236 1.00000
Pb2 Pb 0.26005 0.68488 0.72764 1.00000
F1 F 0.50698 0.99024 0.99713 1.00000
F2 F 0.00698 0.00976 0.00287 1.00000
F3 F 0.46764 0.39468 0.74506 1.00000
F4 F 0.96764 0.60532 0.25494 1.00000
F5 F 0.75117 0.27450 0.52646 1.00000
F6 F 0.25117 0.72550 0.47354 1.00000
F7 F 0.98279 0.45623 0.73863 1.00000
F8 F 0.48279 0.54377 0.26137 1.00000
F9 F 0.55864 0.88740 0.70929 1.00000
F10 F 0.05864 0.11260 0.29071 1.00000
F11 F 0.53288 0.03814 0.30187 1.00000
F12 F 0.03288 0.96186 0.69813 1.00000
F13 F 0.74272 0.37501 0.01634 1.00000
F14 F 0.24272 0.62499 0.98366 1.00000
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