SrCrGe2

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1209494 · Space group: Pbam (#55)

Materials Project API

Basic Information

Formula

SrCrGe2

MP-ID

mp-1209494

Elements

Sites

Density

5.4572

g/cm³

Volume

1,040.28

Å³

Cell a

8.5650

Cell b

10.6388

Cell c

11.4164

α Angle

90.00

β Angle

90.00

γ Angle

90.00

Space Group

Pbam

Point Group

mmm

Crystal System

Orthorhombic

Bravais Lattice

Orthorhombic P

Stability

Packing Fraction

0.5240

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
11.37	7.7832	8.5	(0,1,1)
15.38	5.7602	2.2	(1,1,1)
15.52	5.7082	2.4	(0,0,2)
16.67	5.3194	11.6	(0,2,0)
19.65	4.5188	1.8	(1,2,0)
22.85	3.8916	1.4	(0,2,2)
23.71	3.7520	1.7	(2,1,1)
24.85	3.5831	3.2	(0,1,3)
25.13	3.5430	4.3	(1,2,2)
26.01	3.4256	9.3	(2,0,2)
26.72	3.3358	12.3	(2,2,0)
27.35	3.2608	5.7	(2,1,2)
27.86	3.2019	5.1	(2,2,1)
28.34	3.1494	3.6	(1,3,1)
30.72	2.9108	1.3	(1,2,3)
31.05	2.8801	9.8	(2,2,2)
31.33	2.8550	14.6	(3,0,0)
31.34	2.8541	1.2	(0,0,4)
32.48	2.7566	69.1	(0,1,4)
32.58	2.7481	4.5	(2,1,3)
33.70	2.6597	11.5	(0,4,0)
33.74	2.6564	100.0	(2,3,1)
34.57	2.5944	96.4	(0,3,3)
34.63	2.5903	73.9	(0,4,1)

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Energy Properties

Formation Energy/atom

-0.17711

eV/atom

Energy/atom

-14.66785

eV/atom

Energy above Hull

0.2415

eV/atom

Uncorrected Energy

-5.2939

eV/atom

Volume/atom

21.67

Å³

c/a Ratio

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

32.5728

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.031310

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Ge · 0.500

Element Family

PostTransition-Noble

Solute Fraction

0.500

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

1.0397

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

8.6442

J/mol·K

Ω Parameter

3.8525

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

22.191%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.4327

smaller = more stable mixing

VEC

4.000

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

3.171

kJ/mol; negative = exothermic mixing

Entropy Norm

0.9464

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.308

Family

Ge-rich Multi-Component

Matrix Element

Ge · 0.500

Related Tasks

Related computation task IDs (1)

aaaebdys

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1209494

Reference Citation

The crystal structure and related material properties of SrCrGe2 were obtained from the Materials Project database (MP-ID: mp-1209494, 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

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Raw CIF Data

# generated using pymatgen
data_SrCrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56502700
_cell_length_b   10.63875800
_cell_length_c   11.41642700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCrGe2
_chemical_formula_sum   'Sr12 Cr12 Ge24'
_cell_volume   1040.27909325
_cell_formula_units_Z   12
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
  Sr  Sr0  1  0.00000000  0.32545800  0.31852100  1.0
  Sr  Sr1  1  0.00000000  0.67454200  0.68147900  1.0
  Sr  Sr2  1  0.00000000  0.17454200  0.81852100  1.0
  Sr  Sr3  1  0.00000000  0.82545800  0.18147900  1.0
  Sr  Sr4  1  0.26143300  0.32800900  0.04580500  1.0
  Sr  Sr5  1  0.73856700  0.67199100  0.95419500  1.0
  Sr  Sr6  1  0.26143300  0.67199100  0.95419500  1.0
  Sr  Sr7  1  0.73856700  0.17199100  0.54580500  1.0
  Sr  Sr8  1  0.73856700  0.32800900  0.04580500  1.0
  Sr  Sr9  1  0.26143300  0.82800900  0.45419500  1.0
  Sr  Sr10  1  0.73856700  0.82800900  0.45419500  1.0
  Sr  Sr11  1  0.26143300  0.17199100  0.54580500  1.0
  Cr  Cr12  1  0.24525300  0.00000000  0.00000000  1.0
  Cr  Cr13  1  0.75474700  0.00000000  0.00000000  1.0
  Cr  Cr14  1  0.75474700  0.50000000  0.50000000  1.0
  Cr  Cr15  1  0.24525300  0.50000000  0.50000000  1.0
  Cr  Cr16  1  0.23822400  0.08050800  0.24512900  1.0
  Cr  Cr17  1  0.76177600  0.91949200  0.75487100  1.0
  Cr  Cr18  1  0.23822400  0.91949200  0.75487100  1.0
  Cr  Cr19  1  0.76177600  0.41949200  0.74512900  1.0
  Cr  Cr20  1  0.76177600  0.08050800  0.24512900  1.0
  Cr  Cr21  1  0.23822400  0.58050800  0.25487100  1.0
  Cr  Cr22  1  0.76177600  0.58050800  0.25487100  1.0
  Cr  Cr23  1  0.23822400  0.41949200  0.74512900  1.0
  Ge  Ge24  1  0.50000000  0.03892100  0.33881800  1.0
  Ge  Ge25  1  0.50000000  0.96107900  0.66118200  1.0
  Ge  Ge26  1  0.50000000  0.46107900  0.83881800  1.0
  Ge  Ge27  1  0.50000000  0.53892100  0.16118200  1.0
  Ge  Ge28  1  0.00000000  0.11404700  0.10162100  1.0
  Ge  Ge29  1  0.00000000  0.88595300  0.89837900  1.0
  Ge  Ge30  1  0.00000000  0.38595300  0.60162100  1.0
  Ge  Ge31  1  0.00000000  0.61404700  0.39837900  1.0
  Ge  Ge32  1  0.50000000  0.08737700  0.10416600  1.0
  Ge  Ge33  1  0.50000000  0.91262300  0.89583400  1.0
  Ge  Ge34  1  0.50000000  0.41262300  0.60416600  1.0
  Ge  Ge35  1  0.50000000  0.58737700  0.39583400  1.0
  Ge  Ge36  1  0.00000000  0.03426900  0.38174600  1.0
  Ge  Ge37  1  0.00000000  0.96573100  0.61825400  1.0
  Ge  Ge38  1  0.00000000  0.46573100  0.88174600  1.0
  Ge  Ge39  1  0.00000000  0.53426900  0.11825400  1.0
  Ge  Ge40  1  0.34948200  0.35019800  0.32329600  1.0
  Ge  Ge41  1  0.65051800  0.64980200  0.67670400  1.0
  Ge  Ge42  1  0.34948200  0.64980200  0.67670400  1.0
  Ge  Ge43  1  0.65051800  0.14980200  0.82329600  1.0
  Ge  Ge44  1  0.65051800  0.35019800  0.32329600  1.0
  Ge  Ge45  1  0.34948200  0.85019800  0.17670400  1.0
  Ge  Ge46  1  0.65051800  0.85019800  0.17670400  1.0
  Ge  Ge47  1  0.34948200  0.14980200  0.82329600  1.0

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