Sm5Cu19P12
Alexandria ALEXAlex-ID: agm008608963 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B12C19_2_spg12
SmCuP2 Sm(Cu2P)2 CuP2
2024-11-17 01:00:02.439859
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008608963).
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 agm008608963
data_agm008608963
_cell_length_a 15.26722
_cell_length_b 15.26722
_cell_length_c 9.54228
_cell_angle_alpha 76.52311
_cell_angle_beta 76.52311
_cell_angle_gamma 14.51565
_cell_volume 541.87798
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.92091 0.92091 0.70057 1.00000
Sm3 Sm 0.07909 0.07909 0.29943 1.00000
Sm4 Sm 0.67261 0.67261 0.73369 1.00000
Sm5 Sm 0.32739 0.32739 0.26631 1.00000
Cu1 Cu 0.50000 0.50000 0.50000 1.00000
Cu2 Cu 0.28143 0.28143 0.99003 1.00000
Cu3 Cu 0.71857 0.71857 0.00997 1.00000
Cu4 Cu 0.34357 0.34357 0.60694 1.00000
Cu5 Cu 0.65643 0.65643 0.39306 1.00000
Cu6 Cu 0.25767 0.25767 0.58519 1.00000
Cu7 Cu 0.74233 0.74233 0.41481 1.00000
Cu8 Cu 0.15500 0.15500 0.00735 1.00000
Cu9 Cu 0.84500 0.84500 0.99265 1.00000
Cu10 Cu 0.02266 0.02266 0.64674 1.00000
Cu11 Cu 0.97734 0.97734 0.35326 1.00000
Cu12 Cu 0.41511 0.41511 0.97613 1.00000
Cu13 Cu 0.58489 0.58489 0.02387 1.00000
Cu14 Cu 0.56382 0.56382 0.77710 1.00000
Cu15 Cu 0.43618 0.43618 0.22290 1.00000
Cu16 Cu 0.11115 0.11115 0.59935 1.00000
Cu17 Cu 0.88885 0.88885 0.40065 1.00000
Cu18 Cu 0.77534 0.77534 0.75906 1.00000
Cu19 Cu 0.22466 0.22466 0.24094 1.00000
P1 P 0.22885 0.22885 0.84241 1.00000
P2 P 0.77115 0.77115 0.15759 1.00000
P3 P 0.35444 0.35444 0.84751 1.00000
P4 P 0.64556 0.64556 0.15249 1.00000
P5 P 0.09876 0.09876 0.86463 1.00000
P6 P 0.90124 0.90124 0.13537 1.00000
P7 P 0.80945 0.80945 0.51400 1.00000
P8 P 0.19055 0.19055 0.48600 1.00000
P9 P 0.48336 0.48336 0.78869 1.00000
P10 P 0.51664 0.51664 0.21131 1.00000
P11 P 0.57672 0.57672 0.52452 1.00000
P12 P 0.42328 0.42328 0.47548 1.00000
