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Cr(TcGe2)5

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-3308858 · Space group: P-4n2 (#118)

Basic Information

Formula
Cr(TcGe2)5
MP-ID
mp-3308858
Elements
3
Sites
32
Density
8.6188
g/cm³
Volume
488.75
ų
Cell a
5.8777
Å
Cell b
5.8777
Å
Cell c
14.1473
Å
α Angle
90.00
°
β Angle
90.00
°
γ Angle
90.00
°
Space Group
P-4n2
Point Group
-42m
Crystal System
Tetragonal
Bravais Lattice
Tetragonal P
Stability
Yes
Packing Fraction
0.6800

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
16.33 5.4279 8.7 (1,0,1)
24.20 3.6782 12.7 (1,0,3)
24.85 3.5834 1.5 (1,1,2)
30.42 2.9389 2.9 (2,0,0)
34.71 2.5844 3.3 (2,1,1)
36.47 2.4640 55.7 (2,1,2)
38.49 2.3389 56.1 (1,1,5)
39.24 2.2960 100.0 (2,1,3)
39.88 2.2604 2.5 (2,0,4)
43.55 2.0781 33.6 (2,2,0)
44.04 2.0560 10.6 (2,2,1)
44.16 2.0508 47.6 (1,1,6)
47.58 1.9112 10.4 (1,0,7)
49.46 1.8429 6.0 (3,1,1)
49.57 1.8391 1.1 (2,0,6)
50.44 1.8093 54.0 (3,0,3)
55.88 1.6453 9.4 (3,1,4)
58.06 1.5885 2.5 (3,2,2)
61.02 1.5186 4.2 (1,0,9)
62.76 1.4805 2.0 (3,2,4)
63.29 1.4694 2.5 (4,0,0)
63.39 1.4673 10.8 (2,1,8)
63.76 1.4597 7.7 (3,1,6)
64.80 1.4387 1.2 (4,0,2)
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Energy Properties

Formation Energy/atom
-0.19735
eV/atom
Energy/atom
-17.92338
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-17.9234
eV/atom
Volume/atom
15.27
ų
c/a Ratio
2.4069

Electronic Properties

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

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
6.0056
μB
Mag. Ordering
FM
Mag. Sites
2
Magnetization/Volume
0.012290
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Ge · 0.625
Element Family
PostTransition-Noble
Solute Fraction
0.375
Interstitial Fraction
0.000

High-Entropy Alloy Features

Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.8305
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
6.9050
J/mol·K
Ω Parameter
11.5167
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
3.558%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.0910
smaller = more stable mixing
VEC
4.438
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
0.991
kJ/mol; negative = exothermic mixing
Entropy Norm
0.7560
SS Former
1
Phase Tendency
SS

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.556
Family
Ge-rich Multi-Component
Matrix Element
Ge · 0.625

Related Tasks

Related computation task IDs (1)

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-3308858
Reference Citation

The crystal structure and related material properties of Cr(TcGe2)5 were obtained from the Materials Project database (MP-ID: mp-3308858, 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_Cr(TcGe2)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87769727
_cell_length_b   5.87769727
_cell_length_c   14.14729629
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr(TcGe2)5
_chemical_formula_sum   'Cr2 Tc10 Ge20'
_cell_volume   488.75124546
_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  0.50000000  0.00000000  0.74998365  1.0
  Cr  Cr1  1  0.00000000  0.50000000  0.25001635  1.0
  Tc  Tc2  1  0.00000000  0.00000000  0.00000000  1.0
  Tc  Tc3  1  0.50000000  0.50000000  0.50000000  1.0
  Tc  Tc4  1  0.50000000  0.00000000  0.08641391  1.0
  Tc  Tc5  1  0.00000000  0.50000000  0.91358609  1.0
  Tc  Tc6  1  0.00000000  0.50000000  0.58639415  1.0
  Tc  Tc7  1  0.50000000  0.00000000  0.41360585  1.0
  Tc  Tc8  1  0.00000000  0.00000000  0.32523515  1.0
  Tc  Tc9  1  0.00000000  0.00000000  0.67476485  1.0
  Tc  Tc10  1  0.50000000  0.50000000  0.82521200  1.0
  Tc  Tc11  1  0.50000000  0.50000000  0.17478800  1.0
  Ge  Ge12  1  0.66055856  0.16055086  0.24997118  1.0
  Ge  Ge13  1  0.83944914  0.66055856  0.75002882  1.0
  Ge  Ge14  1  0.33944144  0.83944914  0.24997118  1.0
  Ge  Ge15  1  0.16055086  0.33944144  0.75002882  1.0
  Ge  Ge16  1  0.15383072  0.18766222  0.15409026  1.0
  Ge  Ge17  1  0.81233778  0.15383072  0.84590974  1.0
  Ge  Ge18  1  0.84616928  0.81233778  0.15409026  1.0
  Ge  Ge19  1  0.18766222  0.84616928  0.84590974  1.0
  Ge  Ge20  1  0.34616086  0.68761683  0.65413028  1.0
  Ge  Ge21  1  0.68761683  0.65383914  0.34586972  1.0
  Ge  Ge22  1  0.65383914  0.31238317  0.65413028  1.0
  Ge  Ge23  1  0.31238317  0.34616086  0.34586972  1.0
  Ge  Ge24  1  0.34735024  0.23252701  0.94847724  1.0
  Ge  Ge25  1  0.76747299  0.34735024  0.05152276  1.0
  Ge  Ge26  1  0.65264976  0.76747299  0.94847724  1.0
  Ge  Ge27  1  0.23252701  0.65264976  0.05152276  1.0
  Ge  Ge28  1  0.15264398  0.73251016  0.44846185  1.0
  Ge  Ge29  1  0.73251016  0.84735602  0.55153815  1.0
  Ge  Ge30  1  0.84735602  0.26748984  0.44846185  1.0
  Ge  Ge31  1  0.26748984  0.15264398  0.55153815  1.0
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