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Cr5Ge3

Traditional Materials TRA

MP-ID: mp-568324 · Space group: I4/mcm (#140)

Basic Information

Formula
Cr5Ge3
MP-ID
mp-568324
Elements
2
Sites
16
Density
7.7456
g/cm³
Volume
204.91
ų
Cell a
7.0004
Å
Cell b
7.0004
Å
Cell c
7.0004
Å
α Angle
96.52
°
β Angle
96.52
°
γ Angle
140.63
°
Space Group
I4/mcm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
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 24)
2θd (Å)Ihkl
27.06 3.2956 4.4 (0,0,2)
28.58 3.1235 6.7 (1,0,1)
30.32 2.9477 13.9 (1,-1,2)
38.16 2.3583 20.8 (1,1,-1)
38.64 2.3303 9.0 (2,-2,2)
39.76 2.2671 29.3 (1,0,2)
40.63 2.2205 2.3 (1,1,0)
41.08 2.1971 10.9 (0,0,3)
42.98 2.1043 65.7 (2,0,0)
43.41 2.0843 69.8 (1,-1,3)
44.44 2.0387 100.0 (2,-1,2)
47.40 1.9179 32.9 (1,1,1)
49.50 1.8415 1.1 (2,0,1)
52.80 1.7338 3.3 (1,0,3)
55.43 1.6576 10.6 (3,-1,1)
55.79 1.6478 2.0 (0,0,4)
56.64 1.6250 28.9 (2,-1,3)
57.31 1.6076 14.6 (1,1,2)
57.66 1.5986 7.0 (1,-1,4)
59.50 1.5536 1.7 (3,-3,3)
63.08 1.4738 3.3 (2,-2,4)
63.21 1.4711 1.0 (2,1,0)
69.60 1.3507 6.1 (1,1,3)
70.04 1.3433 4.5 (2,1,1)
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Energy Properties

Formation Energy/atom
0.11252
eV/atom
Energy/atom
-14.51031
eV/atom
Energy above Hull
0.1125
eV/atom
Uncorrected Energy
-7.7475
eV/atom
Volume/atom
12.81
ų
c/a Ratio
1.0000

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
0.9581
μB
Mag. Ordering
FM
Mag. Sites
8
Magnetization/Volume
0.004680
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Cr · 0.625
Element Family
N/A
Solute Fraction
0.375
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.769
Family
Binary Alloy
Matrix Element
Cr · 0.625

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-568324
Reference Citation

The crystal structure and related material properties of Cr5Ge3 were obtained from the Materials Project database (MP-ID: mp-568324, 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_Cr5Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00038443
_cell_length_b   7.00038443
_cell_length_c   7.00038443
_cell_angle_alpha   96.51666648
_cell_angle_beta   96.51666648
_cell_angle_gamma   140.62546047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Ge3
_chemical_formula_sum   'Cr10 Ge6'
_cell_volume   204.90911136
_cell_formula_units_Z   2
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  0.26490500  0.42179000  0.68669400  1.0
  Cr  Cr1  1  0.57821000  0.26490500  0.84311500  1.0
  Cr  Cr2  1  0.73509500  0.57821000  0.31330600  1.0
  Cr  Cr3  1  0.75000000  0.25000000  0.50000000  1.0
  Cr  Cr4  1  0.76490500  0.07821000  0.84311500  1.0
  Cr  Cr5  1  0.07821000  0.23509500  0.31330600  1.0
  Cr  Cr6  1  0.42179000  0.73509500  0.15688500  1.0
  Cr  Cr7  1  0.23509500  0.92179000  0.15688500  1.0
  Cr  Cr8  1  0.92179000  0.76490500  0.68669400  1.0
  Cr  Cr9  1  0.25000000  0.75000000  0.50000000  1.0
  Ge  Ge10  1  0.66661000  0.83339000  0.50000000  1.0
  Ge  Ge11  1  0.25000000  0.25000000  0.00000000  1.0
  Ge  Ge12  1  0.75000000  0.75000000  0.00000000  1.0
  Ge  Ge13  1  0.83339000  0.33339000  0.16678000  1.0
  Ge  Ge14  1  0.16661000  0.66661000  0.83322000  1.0
  Ge  Ge15  1  0.33339000  0.16661000  0.50000000  1.0
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