Np4TlCr2H
Alexandria ALEXAlex-ID: agm007136991 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_1348_spg15
NpH3 Np Cr Tl
2024-07-10 02:52:22.718469
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007136991).
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 agm007136991
data_agm007136991
_cell_length_a 5.08464
_cell_length_b 5.08464
_cell_length_c 11.44965
_cell_angle_alpha 89.93705
_cell_angle_beta 89.93705
_cell_angle_gamma 110.57562
_cell_volume 277.13061
_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
Np1 Np 0.77873 0.77163 0.89663 1.00000
Np2 Np 0.77163 0.77873 0.39663 1.00000
Np3 Np 0.22127 0.22837 0.10337 1.00000
Np4 Np 0.22837 0.22127 0.60337 1.00000
Np5 Np 0.00000 0.50000 0.50000 1.00000
Np6 Np 0.50000 0.00000 0.00000 1.00000
Np7 Np 0.62371 0.37629 0.25000 1.00000
Np8 Np 0.37629 0.62371 0.75000 1.00000
Tl1 Tl 0.25804 0.74196 0.25000 1.00000
Tl2 Tl 0.74196 0.25804 0.75000 1.00000
Cr1 Cr 0.38993 0.14526 0.43665 1.00000
Cr2 Cr 0.14526 0.38993 0.93665 1.00000
Cr3 Cr 0.61007 0.85474 0.56335 1.00000
Cr4 Cr 0.85474 0.61007 0.06335 1.00000
H1 H 0.88587 0.11413 0.25000 1.00000
H2 H 0.11413 0.88587 0.75000 1.00000
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