PmNd(YS2)2
Alexandria ALEXAlex-ID: agm030782853 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_1106_spg24
NdY4S5 Nd4YS5 Pm4NdS5
2025-04-01 21:15:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030782853).
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
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# CIF generated by HEAS from Alexandria entry agm030782853
data_agm030782853
_cell_length_a 7.97364
_cell_length_b 7.97364
_cell_length_c 7.97364
_cell_angle_alpha 120.07130
_cell_angle_beta 119.93617
_cell_angle_gamma 89.99357
_cell_volume 358.45128
_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 0.50000 0.50000 0.00000 1.00000
Pm2 Pm 0.00000 0.50000 0.50000 1.00000
Nd1 Nd 0.50000 0.00000 0.00000 1.00000
Nd2 Nd 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.00000 0.50000 0.00000 1.00000
Y4 Y 0.00000 0.00000 0.50000 1.00000
S1 S 0.24506 0.23739 0.49232 1.00000
S2 S 0.24506 0.75274 0.00768 1.00000
S3 S 0.75494 0.24726 0.99232 1.00000
S4 S 0.75494 0.76261 0.50768 1.00000
S5 S 0.76372 0.75383 0.00989 1.00000
S6 S 0.24395 0.75383 0.49011 1.00000
S7 S 0.75605 0.24617 0.50989 1.00000
S8 S 0.23628 0.24617 0.99011 1.00000
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