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CrH4C4NO10

High-Entropy Materials HEA

MP-ID: mp-1106046 · Space group: C2/m (#12)

Basic Information

Formula
CrH4C4NO10
MP-ID
mp-1106046
Elements
5
Sites
20
Density
1.7399
g/cm³
Volume
265.39
ų
Cell a
5.0795
Å
Cell b
5.0795
Å
Cell c
10.3255
Å
α Angle
88.80
°
β Angle
88.80
°
γ Angle
94.71
°
Space Group
C2/m
Point Group
2/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
8.57 10.3205 100.0 (0,0,1)
17.52 5.0611 44.4 (1,0,0)
19.36 4.5855 3.7 (1,0,1)
19.71 4.5039 53.0 (1,0,-1)
24.35 3.6550 2.5 (1,0,2)
24.92 3.5730 2.6 (1,0,-2)
25.35 3.5131 10.9 (1,-1,1)
25.90 3.4402 3.3 (0,0,3)
27.07 3.2938 4.6 (1,1,1)
27.59 3.2334 32.5 (1,1,-1)
29.52 3.0263 17.0 (1,-1,2)
31.10 2.8757 11.7 (1,0,3)
31.71 2.8222 4.7 (1,1,-2)
35.47 2.5308 1.2 (1,-1,3)
35.47 2.5306 1.7 (2,0,0)
36.36 2.4708 1.4 (1,1,3)
36.76 2.4449 2.5 (2,0,-1)
38.44 2.3420 2.1 (2,-1,0)
38.81 2.3201 1.8 (1,0,4)
39.36 2.2892 9.3 (2,-1,1)
39.55 2.2788 1.8 (2,-1,-1)
40.04 2.2519 1.2 (2,0,-2)
41.88 2.1573 1.9 (2,1,1)
42.21 2.1411 2.0 (2,-1,2)
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Energy Properties

Formation Energy/atom
-1.12095
eV/atom
Energy/atom
-7.01973
eV/atom
Energy above Hull
0.4390
eV/atom
Uncorrected Energy
-6.5763
eV/atom
Volume/atom
13.27
ų
c/a Ratio
-

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
4.9934
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.018820
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.500
Element Family
Metalloid-Nonmetal
Solute Fraction
0.500
Interstitial Fraction
0.250

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
1.2899
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
10.7244
J/mol·K
Ω Parameter
2.6757
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
38.553%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.5883
smaller = more stable mixing
VEC
3.550
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
-3.635
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8015
SS Former
0
Phase Tendency
IM

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-1106046
Reference Citation

The crystal structure and related material properties of CrH4C4NO10 were obtained from the Materials Project database (MP-ID: mp-1106046, 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_CrH4C4NO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07953937
_cell_length_b   5.07953937
_cell_length_c   10.32545752
_cell_angle_alpha   88.80183580
_cell_angle_beta   88.80183580
_cell_angle_gamma   94.70701599
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH4C4NO10
_chemical_formula_sum   'Cr1 H4 C4 N1 O10'
_cell_volume   265.38953768
_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
  Cr  Cr0  1  0.50000000  0.50000000  0.50000000  1.0
  H  H1  1  0.95168400  0.73251200  0.39903000  1.0
  H  H2  1  0.73251200  0.95168400  0.39903000  1.0
  H  H3  1  0.04831600  0.26748800  0.60097000  1.0
  H  H4  1  0.26748800  0.04831600  0.60097000  1.0
  C  C5  1  0.73858700  0.52353400  0.74537300  1.0
  C  C6  1  0.52353400  0.73858700  0.74537300  1.0
  C  C7  1  0.26141300  0.47646600  0.25462700  1.0
  C  C8  1  0.47646600  0.26141300  0.25462700  1.0
  N  N9  1  0.00000000  0.00000000  0.00000000  1.0
  O  O10  1  0.74452000  0.39450300  0.63614300  1.0
  O  O11  1  0.39450300  0.74452000  0.63614300  1.0
  O  O12  1  0.25548000  0.60549700  0.36385700  1.0
  O  O13  1  0.60549700  0.25548000  0.36385700  1.0
  O  O14  1  0.87913600  0.49878000  0.83792100  1.0
  O  O15  1  0.49878000  0.87913600  0.83792100  1.0
  O  O16  1  0.12086400  0.50122000  0.16207900  1.0
  O  O17  1  0.50122000  0.12086400  0.16207900  1.0
  O  O18  1  0.78493900  0.78493900  0.43991600  1.0
  O  O19  1  0.21506100  0.21506100  0.56008400  1.0
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