CeNdF7
Alexandria ALEXAlex-ID: agm024238472 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_80_spg2
Ce3NdF15 NdF3
2024-11-07 09:04:40.964222
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024238472).
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 agm024238472
data_agm024238472
_cell_length_a 6.16675
_cell_length_b 6.42224
_cell_length_c 8.73574
_cell_angle_alpha 76.79539
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 336.82571
_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
Ce1 Ce 0.70352 0.18506 0.22549 1.00000
Ce2 Ce 0.20352 0.81494 0.77451 1.00000
Nd1 Nd 0.70236 0.34916 0.68712 1.00000
Nd2 Nd 0.20236 0.65084 0.31288 1.00000
F1 F 0.94516 0.50553 0.49670 1.00000
F2 F 0.44516 0.49447 0.50330 1.00000
F3 F 0.44132 0.07205 0.75634 1.00000
F4 F 0.94132 0.92795 0.24366 1.00000
F5 F 0.96177 0.06964 0.75476 1.00000
F6 F 0.46177 0.93036 0.24524 1.00000
F7 F 0.94856 0.57362 0.79389 1.00000
F8 F 0.44856 0.42638 0.20611 1.00000
F9 F 0.70177 0.22716 0.97270 1.00000
F10 F 0.20177 0.77284 0.02730 1.00000
F11 F 0.70242 0.14038 0.47842 1.00000
F12 F 0.20242 0.85962 0.52158 1.00000
F13 F 0.46946 0.58474 0.79291 1.00000
F14 F 0.96946 0.41526 0.20709 1.00000
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