Nd12Y5Cd2
Alexandria ALEXAlex-ID: agm003368993 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_28_spg12
Y2Cd NdY2 Nd
2022-02-08 14:13:38.066155
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003368993).
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 agm003368993
data_agm003368993
_cell_length_a 9.24261
_cell_length_b 9.13650
_cell_length_c 8.67365
_cell_angle_alpha 92.83206
_cell_angle_beta 90.00000
_cell_angle_gamma 120.38491
_cell_volume 630.80604
_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
Nd1 Nd 0.91939 0.83877 0.11584 1.00000
Nd2 Nd 0.03794 0.70505 0.76486 1.00000
Nd3 Nd 0.66711 0.70505 0.76486 1.00000
Nd4 Nd 0.17794 0.74694 0.32437 1.00000
Nd5 Nd 0.56900 0.74694 0.32437 1.00000
Nd6 Nd 0.44302 0.88603 0.66685 1.00000
Nd7 Nd 0.55698 0.11397 0.33315 1.00000
Nd8 Nd 0.82206 0.25306 0.67563 1.00000
Nd9 Nd 0.43100 0.25306 0.67563 1.00000
Nd10 Nd 0.96206 0.29495 0.23514 1.00000
Nd11 Nd 0.33289 0.29495 0.23514 1.00000
Nd12 Nd 0.08061 0.16123 0.88416 1.00000
Y1 Y 0.23297 0.46594 0.57464 1.00000
Y2 Y 0.30319 0.60638 0.97915 1.00000
Y3 Y 0.00000 0.00000 0.50000 1.00000
Y4 Y 0.69681 0.39362 0.02085 1.00000
Y5 Y 0.76703 0.53406 0.42536 1.00000
Cd1 Cd 0.66719 0.00000 0.00000 1.00000
Cd2 Cd 0.33281 1.00000 1.00000 1.00000
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