CdFeP2O7
Alexandria ALEXAlex-ID: agm013218062 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D7_8_spg2
CdFeP2O7
2024-12-09 08:00:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013218062).
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 agm013218062
data_agm013218062
_cell_length_a 6.51780
_cell_length_b 6.58470
_cell_length_c 6.79382
_cell_angle_alpha 68.54694
_cell_angle_beta 82.21662
_cell_angle_gamma 81.11424
_cell_volume 267.12777
_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
Cd1 Cd 0.91942 0.27502 0.23463 1.00000
Cd2 Cd 0.08058 0.72498 0.76537 1.00000
Fe1 Fe 0.35560 0.89803 0.22424 1.00000
Fe2 Fe 0.64440 0.10197 0.77576 1.00000
P1 P 0.14557 0.21031 0.76063 1.00000
P2 P 0.85443 0.78969 0.23937 1.00000
P3 P 0.60347 0.64479 0.66153 1.00000
P4 P 0.39653 0.35521 0.33847 1.00000
O1 O 0.75647 0.62240 0.45631 1.00000
O2 O 0.24353 0.37760 0.54369 1.00000
O3 O 0.98748 0.09384 0.70107 1.00000
O4 O 0.01252 0.90616 0.29893 1.00000
O5 O 0.60728 0.23637 0.42674 1.00000
O6 O 0.39272 0.76363 0.57326 1.00000
O7 O 0.40691 0.59113 0.19343 1.00000
O8 O 0.59309 0.40887 0.80657 1.00000
O9 O 0.96219 0.63636 0.12338 1.00000
O10 O 0.03781 0.36364 0.87662 1.00000
O11 O 0.67857 0.95445 0.12251 1.00000
O12 O 0.32143 0.04555 0.87749 1.00000
O13 O 0.28813 0.21366 0.25668 1.00000
O14 O 0.71187 0.78634 0.74332 1.00000
