Pm7Sm3Er
Alexandria ALEXAlex-ID: agm005979643 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_304_spg15
Pm2SmEr6 PmSm2 Pm
2023-08-12 09:41:44.679329
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005979643).
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 agm005979643
data_agm005979643
_cell_length_a 10.27950
_cell_length_b 10.27925
_cell_length_c 12.56962
_cell_angle_alpha 113.98751
_cell_angle_beta 66.01383
_cell_angle_gamma 138.78894
_cell_volume 788.21069
_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
Pm1 Pm 0.16292 0.84048 0.22417 1.00000
Pm2 Pm 0.15954 0.83723 0.72425 1.00000
Pm3 Pm 0.08548 0.42079 0.52970 1.00000
Pm4 Pm 0.08200 0.41800 0.02969 1.00000
Pm5 Pm 0.57923 0.91442 0.02961 1.00000
Pm6 Pm 0.58197 0.91801 0.52971 1.00000
Pm7 Pm 0.27274 0.27283 0.75005 1.00000
Pm8 Pm 0.72726 0.72717 0.24995 1.00000
Pm9 Pm 0.42077 0.08557 0.97039 1.00000
Pm10 Pm 0.41804 0.08200 0.47029 1.00000
Pm11 Pm 0.91799 0.58199 0.97031 1.00000
Pm12 Pm 0.91452 0.57921 0.47029 1.00000
Pm13 Pm 0.84046 0.16277 0.27575 1.00000
Pm14 Pm 0.83707 0.15951 0.77583 1.00000
Sm1 Sm 0.33483 0.66893 0.77499 1.00000
Sm2 Sm 1.00000 1.00000 0.00000 1.00000
Sm3 Sm 0.00000 0.00000 0.50000 1.00000
Sm4 Sm 0.33109 0.66500 0.27490 1.00000
Sm5 Sm 0.66892 0.33500 0.72510 1.00000
Sm6 Sm 0.66517 0.33107 0.22501 1.00000
Er1 Er 0.50000 0.50000 0.00000 1.00000
Er2 Er 0.50000 0.50000 0.50000 1.00000
