Pm2Y6In
Alexandria ALEXAlex-ID: agm005642999 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1041_spg69
PmY2 Y2In
2023-07-12 23:22:57.388835
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642999).
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 agm005642999
data_agm005642999
_cell_length_a 4.94367
_cell_length_b 7.92116
_cell_length_c 7.99702
_cell_angle_alpha 84.45776
_cell_angle_beta 71.99532
_cell_angle_gamma 71.81691
_cell_volume 282.95308
_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 0.33662 0.50002 0.82675 1.00000
Pm2 Pm 0.66338 0.49998 0.17325 1.00000
Y1 Y 0.00173 0.16512 0.83142 1.00000
Y2 Y 0.33318 0.16509 0.16856 1.00000
Y3 Y 0.66682 0.83491 0.83144 1.00000
Y4 Y 0.34125 0.81754 0.49996 1.00000
Y5 Y 0.65875 0.18246 0.50004 1.00000
Y6 Y 0.99827 0.83488 0.16858 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
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