AcPm3In
Alexandria ALEXAlex-ID: agm003720249 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_12_spg194
Pm3In Ac
2022-05-04 08:36:42.347380
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003720249).
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 agm003720249
data_agm003720249
_cell_length_a 6.33618
_cell_length_b 8.20981
_cell_length_c 8.21127
_cell_angle_alpha 119.99679
_cell_angle_beta 89.99578
_cell_angle_gamma 90.00247
_cell_volume 369.92641
_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
Ac1 Ac 0.74996 0.66677 0.33344 1.00000
Ac2 Ac 0.25004 0.33323 0.66660 1.00000
Pm1 Pm 0.75001 0.61924 0.80964 1.00000
Pm2 Pm 0.25001 0.80960 0.61925 1.00000
Pm3 Pm 0.24999 0.38076 0.19036 1.00000
Pm4 Pm 0.74999 0.19040 0.38075 1.00000
Pm5 Pm 0.24995 0.80957 0.19034 1.00000
Pm6 Pm 0.75005 0.19043 0.80966 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
In2 In 0.50000 0.00000 0.00000 1.00000
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