Nd15(B3C10)2
Alexandria ALEXAlex-ID: agm005226708 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A6B15C20_1_spg2
Nd4C5 Nd2BC2 Nd(BC)2
2024-10-03 22:59:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226708).
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 agm005226708
data_agm005226708
_cell_length_a 8.38849
_cell_length_b 8.45019
_cell_length_c 9.21505
_cell_angle_alpha 84.59051
_cell_angle_beta 84.74646
_cell_angle_gamma 89.56899
_cell_volume 647.56098
_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 0.80599 0.40554 0.92987 1.00000
Nd2 Nd 0.19401 0.59446 0.07013 1.00000
Nd3 Nd 0.93359 0.14035 0.63985 1.00000
Nd4 Nd 0.06641 0.85965 0.36015 1.00000
Nd5 Nd 0.54135 0.34251 0.63919 1.00000
Nd6 Nd 0.45865 0.65749 0.36081 1.00000
Nd7 Nd 0.25947 0.27267 0.36549 1.00000
Nd8 Nd 0.74053 0.72733 0.63451 1.00000
Nd9 Nd 0.40453 0.19699 0.00626 1.00000
Nd10 Nd 0.59547 0.80301 0.99374 1.00000
Nd11 Nd 0.13287 0.53169 0.64240 1.00000
Nd12 Nd 0.86713 0.46831 0.35760 1.00000
Nd13 Nd 0.00000 0.00000 0.00000 1.00000
Nd14 Nd 0.66987 0.06579 0.35164 1.00000
Nd15 Nd 0.33013 0.93421 0.64836 1.00000
B1 B 0.19180 0.23075 0.79095 1.00000
B2 B 0.80820 0.76925 0.20905 1.00000
B3 B 0.44822 0.60764 0.79214 1.00000
B4 B 0.55178 0.39236 0.20786 1.00000
B5 B 0.99680 0.20345 0.21246 1.00000
B6 B 0.00320 0.79655 0.78754 1.00000
C1 C 0.16529 0.56391 0.35243 1.00000
C2 C 0.83471 0.43609 0.64757 1.00000
C3 C 0.11757 0.29442 0.92577 1.00000
C4 C 0.88243 0.70558 0.07423 1.00000
C5 C 0.56558 0.36101 0.36530 1.00000
C6 C 0.43442 0.63899 0.63470 1.00000
C7 C 0.30123 0.89613 0.09811 1.00000
C8 C 0.69877 0.10387 0.90189 1.00000
C9 C 0.07714 0.28530 0.07610 1.00000
C10 C 0.92286 0.71470 0.92390 1.00000
C11 C 0.35259 0.94150 0.22519 1.00000
C12 C 0.64741 0.05850 0.77481 1.00000
C13 C 0.96201 0.16816 0.36978 1.00000
C14 C 0.03799 0.83184 0.63022 1.00000
C15 C 0.49389 0.51280 0.92498 1.00000
C16 C 0.50611 0.48720 0.07502 1.00000
C17 C 0.23721 0.23592 0.63290 1.00000
C18 C 0.76279 0.76408 0.36710 1.00000
C19 C 0.36763 0.96459 0.36586 1.00000
C20 C 0.63237 0.03541 0.63414 1.00000
