Nd7Mn(Se2O)4
Alexandria ALEXAlex-ID: agm021309085 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7D8_0_spg55
Nd2SeO2 Nd2Mn(SeO)2 Nd10Se19 Nd2Se3
2025-01-29 00:33:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021309085).
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 agm021309085
data_agm021309085
_cell_length_a 4.06164
_cell_length_b 14.52121
_cell_length_c 15.76114
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 929.59018
_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 0.50000 0.79083 0.38382 1.00000
Nd2 Nd 0.00000 0.99475 0.31267 1.00000
Nd3 Nd 0.50000 0.29083 0.11618 1.00000
Nd4 Nd 0.50000 0.00000 0.00000 1.00000
Nd5 Nd 0.00000 0.49475 0.18733 1.00000
Nd6 Nd 0.00000 0.21785 0.83447 1.00000
Nd7 Nd 0.00000 0.50525 0.81267 1.00000
Nd8 Nd 0.50000 0.20917 0.61618 1.00000
Nd9 Nd 0.00000 0.78215 0.16553 1.00000
Nd10 Nd 0.00000 0.00525 0.68733 1.00000
Nd11 Nd 0.50000 0.50000 0.50000 1.00000
Nd12 Nd 0.50000 0.70917 0.88382 1.00000
Nd13 Nd 0.00000 0.71785 0.66553 1.00000
Nd14 Nd 0.00000 0.28215 0.33447 1.00000
Mn1 Mn 0.50000 0.50000 0.00000 1.00000
Mn2 Mn 0.50000 0.00000 0.50000 1.00000
Se1 Se 0.00000 0.37680 0.96693 1.00000
Se2 Se 0.00000 0.12320 0.46693 1.00000
Se3 Se 0.50000 0.65740 0.23626 1.00000
Se4 Se 0.00000 0.87680 0.53307 1.00000
Se5 Se 0.00000 0.85505 0.97348 1.00000
Se6 Se 0.50000 0.15740 0.26374 1.00000
Se7 Se 0.50000 0.84260 0.73626 1.00000
Se8 Se 0.50000 0.34260 0.76374 1.00000
Se9 Se 0.50000 0.56795 0.67451 1.00000
Se10 Se 0.00000 0.35505 0.52652 1.00000
Se11 Se 0.50000 0.06795 0.82549 1.00000
Se12 Se 0.00000 0.64495 0.47348 1.00000
Se13 Se 0.50000 0.43205 0.32549 1.00000
Se14 Se 0.50000 0.93205 0.17451 1.00000
Se15 Se 0.00000 0.14495 0.02652 1.00000
Se16 Se 0.00000 0.62320 0.03307 1.00000
O1 O 0.50000 0.54347 0.88473 1.00000
O2 O 0.50000 0.45653 0.11527 1.00000
O3 O 0.00000 0.82903 0.31394 1.00000
O4 O 0.50000 0.04347 0.61527 1.00000
O5 O 0.50000 0.95653 0.38473 1.00000
O6 O 0.00000 0.17097 0.68606 1.00000
O7 O 0.00000 0.32903 0.18606 1.00000
O8 O 0.00000 0.67097 0.81394 1.00000
