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ZnOs

Traditional Materials TRA

MP-ID: mp-1187910 · Space group: P-6m2 (#187)

Basic Information

Formula
ZnOs
MP-ID
mp-1187910
Elements
2
Sites
2
Density
14.9098
g/cm³
Volume
28.47
ų
Cell a
2.7580
Å
Cell b
2.7580
Å
Cell c
4.3221
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
120.00
°
Space Group
P-6m2
Point Group
-6m2
Crystal System
Hexagonal
Bravais Lattice
Hexagonal P
Stability
No
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 16)
2θd (Å)Ihkl
20.55 4.3221 27.5 (0,0,0,1)
37.66 2.3885 24.5 (1,0,-1,0)
37.66 2.3885 12.2 (1,-1,0,0)
41.80 2.1611 23.0 (0,0,0,2)
43.28 2.0905 100.0 (1,0,-1,1)
57.51 1.6025 22.0 (1,0,-1,2)
64.70 1.4407 1.4 (0,0,0,3)
67.98 1.3790 16.2 (2,-1,-1,0)
71.86 1.3137 2.0 (1,1,-2,1)
71.86 1.3137 4.1 (2,-1,-1,1)
77.35 1.2337 12.0 (1,0,-1,3)
77.35 1.2337 6.0 (1,-1,0,3)
80.41 1.1942 4.3 (2,0,-2,0)
83.08 1.1625 18.7 (2,-1,-1,2)
84.09 1.1511 9.8 (2,0,-2,1)
84.09 1.1511 4.9 (2,-2,0,1)
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Energy Properties

Formation Energy/atom
0.17951
eV/atom
Energy/atom
-30.76840
eV/atom
Energy above Hull
0.2271
eV/atom
Uncorrected Energy
-6.0165
eV/atom
Volume/atom
14.24
ų
c/a Ratio
1.5672

Electronic Properties

Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0125
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000440
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Zn · 0.500
Element Family
N/A
Solute Fraction
0.500
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.638
Family
Zn-based Alloy
Matrix Element
Zn · 0.500

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1187910
Reference Citation

The crystal structure and related material properties of ZnOs were obtained from the Materials Project database (MP-ID: mp-1187910, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_ZnOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.75796187
_cell_length_b   2.75796187
_cell_length_c   4.32213700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnOs
_chemical_formula_sum   'Zn1 Os1'
_cell_volume   28.47119451
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zn  Zn0  1  0.00000000  0.00000000  0.00000000  1.0
  Os  Os1  1  0.33333300  0.66666700  0.50000000  1.0
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