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Cs2Dy6MnOs

Alexandria ALEX

Alex-ID: agm013437136 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Cs2Dy6MnOs
Alex-ID
agm013437136
Elements
4
Sites
10
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
403.72
ų
Cell a
11.4151
Å
Cell b
9.2107
Å
Cell c
6.7466
Å
α angle
90.00
°
β angle
99.04
°
γ angle
143.81
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cs2Dy6MnOs
Cs
2.00 · 20.0%
Dy
6.00 · 60.0%
Mn
1.00 · 10.0%
Os
1.00 · 10.0%

Energy & Stability

Energy above hull
0.3465
eV/atom
Formation energy
0.2438
eV/atom
Corrected total energy
-47.2962
eV
Raw total energy
-47.2962
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0137
eV
DOS at Fermi level
7.6960
Total magnetisation
0.6334
μB

Additional Information

Prototype ID

ABC2D6_8_spg65

Decomposition

Dy3Os Cs Mn Dy

Computed at

2024-06-24 11:47:20.202699

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013437136).

Reference

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

BibTeX 
@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…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm013437136
data_agm013437136
_cell_length_a     11.41514
_cell_length_b     9.21072
_cell_length_c     6.74665
_cell_angle_alpha  89.99763
_cell_angle_beta   99.03608
_cell_angle_gamma  143.81443
_cell_volume       403.72059
_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
  Cs1 Cs 0.25822 0.75872 0.74104 1.00000
  Cs2 Cs 0.74066 0.24101 0.25881 1.00000
  Dy1 Dy 0.24167 0.05442 0.24240 1.00000
  Dy2 Dy 0.75675 0.56952 0.75723 1.00000
  Dy3 Dy 0.75709 0.94537 0.75736 1.00000
  Dy4 Dy 0.75322 0.75373 0.24626 1.00000
  Dy5 Dy 0.24203 0.43031 0.24255 1.00000
  Dy6 Dy 0.24559 0.24609 0.75354 1.00000
  Mn1 Mn 0.99937 0.99992 0.99992 1.00000
  Os1 Os 0.49940 0.49990 0.49987 1.00000
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