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Ge11N11O5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-777810 · Space group: Cm (#8)

Basic Information

Formula
Ge11N11O5
MP-ID
mp-777810
Elements
3
Sites
27
Density
5.8908
g/cm³
Volume
291.22
ų
Cell a
5.9152
Å
Cell b
5.9152
Å
Cell c
10.2239
Å
α Angle
73.19
°
β Angle
73.19
°
γ Angle
59.71
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
Monoclinic C
Stability
No
Packing Fraction
0.5240

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
9.18 9.6386 26.0 (0,0,1)
17.56 5.0503 6.7 (1,1,1)
17.63 5.0304 19.0 (1,0,0)
18.34 4.8365 42.9 (1,1,0)
18.41 4.8193 35.9 (0,0,2)
18.43 4.8153 69.7 (1,0,1)
21.25 4.1815 7.1 (1,1,2)
21.29 4.1726 13.3 (1,0,-1)
23.16 3.8399 4.6 (1,1,-1)
23.24 3.8273 8.0 (1,0,2)
27.74 3.2157 3.4 (1,1,3)
27.77 3.2129 2.9 (0,0,3)
27.77 3.2128 7.5 (1,0,-2)
30.22 2.9576 36.7 (2,1,1)
30.23 2.9563 18.6 (1,1,-2)
30.30 2.9497 39.4 (1,0,3)
30.35 2.9447 19.5 (1,-1,0)
31.64 2.8282 3.7 (2,1,0)
31.65 2.8267 3.4 (2,1,2)
31.77 2.8162 4.3 (1,-1,1)
35.12 2.5553 2.3 (2,2,1)
35.28 2.5439 2.2 (2,0,1)
35.55 2.5252 50.1 (2,2,2)
35.60 2.5218 100.0 (2,1,-1)
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Energy Properties

Formation Energy/atom
-0.47843
eV/atom
Energy/atom
-6.67525
eV/atom
Energy above Hull
0.2966
eV/atom
Uncorrected Energy
-6.5480
eV/atom
Volume/atom
10.79
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
No
Total Mag. Moment
0.0020
μB
Mag. Ordering
NM
Mag. Sites
0
Magnetization/Volume
0.000010
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.407
Element Family
PostTransition-Noble
Solute Fraction
0.593
Interstitial Fraction
0.407

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.0440
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
8.6794
J/mol·K
Ω Parameter
0.2101
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
29.591%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5852
smaller = more stable mixing
VEC
4.407
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-21.873
kJ/mol; negative = exothermic mixing
Entropy Norm
0.9502
SS Former
0
Phase Tendency
AM

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
C
Score
0.251
Family
Ge-rich Multi-Component
Matrix Element
Ge · 0.407

Related Tasks

Related computation task IDs (3)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-777810
Reference Citation

The crystal structure and related material properties of Ge11N11O5 were obtained from the Materials Project database (MP-ID: mp-777810, 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_Ge11N11O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91523391
_cell_length_b   5.91523391
_cell_length_c   10.22390280
_cell_angle_alpha   73.18841846
_cell_angle_beta   73.18841846
_cell_angle_gamma   59.71164776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge11N11O5
_chemical_formula_sum   'Ge11 N11 O5'
_cell_volume   291.21983135
_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
  Ge  Ge0  1  0.68678500  0.18770900  0.43787600  1.0
  Ge  Ge1  1  0.19767700  0.68527200  0.93407000  1.0
  Ge  Ge2  1  0.68527200  0.19767700  0.93407000  1.0
  Ge  Ge3  1  0.61704500  0.61704500  0.12605000  1.0
  Ge  Ge4  1  0.12366800  0.12366800  0.62712200  1.0
  Ge  Ge5  1  0.94339600  0.94339600  0.18975900  1.0
  Ge  Ge6  1  0.18984000  0.18984000  0.93857300  1.0
  Ge  Ge7  1  0.43612000  0.43612000  0.68859700  1.0
  Ge  Ge8  1  0.68729600  0.68729600  0.43546300  1.0
  Ge  Ge9  1  0.25139000  0.25139000  0.25009600  1.0
  Ge  Ge10  1  0.18770900  0.68678500  0.43787600  1.0
  N  N11  1  0.78884600  0.32422300  0.56172700  1.0
  N  N12  1  0.32352500  0.32352500  0.56229900  1.0
  N  N13  1  0.05739600  0.05739600  0.82611900  1.0
  N  N14  1  0.55467000  0.55467000  0.32710300  1.0
  N  N15  1  0.82369400  0.28837900  0.05567900  1.0
  N  N16  1  0.28837900  0.82369400  0.05567900  1.0
  N  N17  1  0.04983900  0.58354900  0.31443200  1.0
  N  N18  1  0.32422300  0.78884600  0.56172700  1.0
  N  N19  1  0.58354900  0.04983900  0.31443200  1.0
  N  N20  1  0.05237500  0.05237500  0.31644300  1.0
  N  N21  1  0.31635600  0.31635600  0.05232100  1.0
  O  O22  1  0.54032600  0.10186400  0.82309000  1.0
  O  O23  1  0.82576200  0.82576200  0.05256400  1.0
  O  O24  1  0.54102800  0.54102800  0.81974900  1.0
  O  O25  1  0.82198400  0.82198400  0.53399300  1.0
  O  O26  1  0.10186400  0.54032600  0.82309000  1.0
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