Pm12YSc2
Alexandria ALEXAlex-ID: agm005770084 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_111_spg12
Pm5Y Pm Sc
2023-07-18 03:19:57.754592
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005770084).
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 agm005770084
data_agm005770084
_cell_length_a 6.24848
_cell_length_b 6.24848
_cell_length_c 28.65862
_cell_angle_alpha 100.14196
_cell_angle_beta 100.14200
_cell_angle_gamma 111.41633
_cell_volume 989.48993
_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 0.74585 0.73844 0.79716 1.00000
Pm2 Pm 0.23844 0.24585 0.79716 1.00000
Pm3 Pm 0.91739 0.91549 0.93375 1.00000
Pm4 Pm 0.33054 0.83055 0.86832 1.00000
Pm5 Pm 0.00930 0.88981 0.33122 1.00000
Pm6 Pm 0.16946 0.66946 0.13168 1.00000
Pm7 Pm 0.82904 0.32904 0.63494 1.00000
Pm8 Pm 0.38981 0.50930 0.33122 1.00000
Pm9 Pm 0.41549 0.41739 0.93375 1.00000
Pm10 Pm 0.58261 0.58451 0.06625 1.00000
Pm11 Pm 0.24722 0.12691 0.55877 1.00000
Pm12 Pm 0.67096 0.17096 0.36506 1.00000
Pm13 Pm 0.11019 0.99070 0.66878 1.00000
Pm14 Pm 0.25278 0.37309 0.44123 1.00000
Pm15 Pm 0.08451 0.08261 0.06625 1.00000
Pm16 Pm 0.87309 0.75278 0.44123 1.00000
Pm17 Pm 0.62691 0.74722 0.55877 1.00000
Pm18 Pm 0.75415 0.76157 0.20284 1.00000
Pm19 Pm 0.99519 0.49519 0.53503 1.00000
Pm20 Pm 0.49070 0.61019 0.66878 1.00000
Pm21 Pm 0.82826 0.32826 0.86521 1.00000
Pm22 Pm 0.26157 0.25415 0.20284 1.00000
Pm23 Pm 0.50480 0.00480 0.46497 1.00000
Pm24 Pm 0.67174 0.17174 0.13479 1.00000
Y1 Y 0.50182 0.00182 0.00092 1.00000
Y2 Y 0.99818 0.49818 0.99908 1.00000
Sc1 Sc 0.32879 0.82879 0.25492 1.00000
Sc2 Sc 0.82934 0.32934 0.26128 1.00000
Sc3 Sc 0.17121 0.67121 0.74508 1.00000
Sc4 Sc 0.67066 0.17066 0.73872 1.00000
