Pm2Er4Sc3
Alexandria ALEXAlex-ID: agm005686996 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_422_spg15
PmEr2 Sc
2023-06-28 06:31:10.850422
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686996).
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 agm005686996
data_agm005686996
_cell_length_a 6.01522
_cell_length_b 9.60851
_cell_length_c 9.60857
_cell_angle_alpha 72.03054
_cell_angle_beta 85.62564
_cell_angle_gamma 85.62634
_cell_volume 525.90644
_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 0.17679 0.76328 0.47266 1.00000
Pm2 Pm 0.32321 0.52734 0.23672 1.00000
Pm3 Pm 0.82321 0.23672 0.52734 1.00000
Pm4 Pm 0.67679 0.47266 0.76328 1.00000
Er1 Er 0.51016 0.08874 0.81205 1.00000
Er2 Er 0.98983 0.18795 0.91126 1.00000
Er3 Er 0.48984 0.91126 0.18795 1.00000
Er4 Er 0.01017 0.81205 0.08874 1.00000
Er5 Er 0.65581 0.85484 0.57822 1.00000
Er6 Er 0.84419 0.42178 0.14516 1.00000
Er7 Er 0.34419 0.14516 0.42178 1.00000
Er8 Er 0.15581 0.57822 0.85484 1.00000
Sc1 Sc 0.08780 0.93396 0.73445 1.00000
Sc2 Sc 0.41220 0.26555 0.06604 1.00000
Sc3 Sc 0.91220 0.06604 0.26555 1.00000
Sc4 Sc 0.58780 0.73445 0.93396 1.00000
Sc5 Sc 0.25000 0.39761 0.60239 1.00000
Sc6 Sc 0.75000 0.60239 0.39761 1.00000
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