Pm6In2C
Alexandria ALEXAlex-ID: agm005779660 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1731_spg139
Pm9In3C2 Pm3In
2023-07-06 14:27:01.288233
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779660).
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 agm005779660
data_agm005779660
_cell_length_a 7.13043
_cell_length_b 7.13043
_cell_length_c 7.13106
_cell_angle_alpha 59.99954
_cell_angle_beta 59.99954
_cell_angle_gamma 60.00662
_cell_volume 256.38298
_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 0.25508 0.25508 0.74440 1.00000
Pm2 Pm 0.25534 0.74504 0.25494 1.00000
Pm3 Pm 0.74466 0.25496 0.74506 1.00000
Pm4 Pm 0.74504 0.25534 0.25494 1.00000
Pm5 Pm 0.25496 0.74466 0.74506 1.00000
Pm6 Pm 0.74492 0.74492 0.25560 1.00000
In1 In 0.24999 0.24999 0.24983 1.00000
In2 In 0.75001 0.75001 0.75017 1.00000
C1 C 0.50000 0.50000 0.50000 1.00000
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