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CrSn2

Traditional Materials TRA

MP-ID: mp-609 · Space group: Fddd (#70)

Basic Information

Formula
CrSn2
MP-ID
mp-609
Elements
2
Sites
12
Density
8.2199
g/cm³
Volume
233.86
ų
Cell a
10.3444
Å
Cell b
9.6176
Å
Cell c
5.4040
Å
α Angle
81.87
°
β Angle
66.98
°
γ Angle
31.14
°
Space Group
Fddd
Point Group
mmm
Crystal System
Orthorhombic
Bravais Lattice
Orthorhombic F
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
23.86 3.7296 1.8 (2,2,1)
30.83 2.9005 55.3 (3,2,0)
33.52 2.6735 100.0 (2,0,1)
34.49 2.6007 87.3 (1,2,1)
34.92 2.5696 77.7 (2,3,-1)
36.31 2.4739 61.4 (0,2,-1)
38.39 2.3449 26.3 (1,1,2)
38.51 2.3375 11.5 (2,0,2)
39.04 2.3069 9.9 (4,4,0)
39.20 2.2982 82.6 (4,3,0)
41.41 2.1802 4.8 (1,2,-2)
43.28 2.0904 76.8 (3,3,2)
43.40 2.0852 41.3 (0,2,-2)
48.45 1.8789 11.8 (5,4,0)
55.91 1.6445 8.6 (5,3,0)
56.01 1.6420 5.1 (2,4,-2)
56.32 1.6335 3.8 (3,5,-1)
57.65 1.5991 10.4 (3,4,2)
57.83 1.5944 9.2 (0,3,-2)
58.42 1.5797 3.1 (6,5,0)
59.33 1.5577 21.1 (2,2,3)
60.17 1.5380 10.1 (6,6,0)
60.23 1.5366 18.2 (2,-1,3)
60.33 1.5343 36.1 (1,2,-3)
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Energy Properties

Formation Energy/atom
0.14850
eV/atom
Energy/atom
-21.37341
eV/atom
Energy above Hull
0.1485
eV/atom
Uncorrected Energy
-5.7422
eV/atom
Volume/atom
19.49
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
1.4618
μB
Mag. Ordering
FM
Mag. Sites
4
Magnetization/Volume
0.006250
μB/ų

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Sn · 0.667
Element Family
N/A
Solute Fraction
0.333
Interstitial Fraction
0.000

Traditional Material Features

ROM Blended-Feature Radar
Rating & Classification
Tier
A
Score
0.769
Family
Binary Alloy
Matrix Element
Sn · 0.667

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-609
Reference Citation

The crystal structure and related material properties of CrSn2 were obtained from the Materials Project database (MP-ID: mp-609, 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_CrSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.34443661
_cell_length_b   9.61760572
_cell_length_c   5.40397368
_cell_angle_alpha   81.87344077
_cell_angle_beta   66.98475045
_cell_angle_gamma   31.14180878
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSn2
_chemical_formula_sum   'Cr4 Sn8'
_cell_volume   233.86465263
_cell_formula_units_Z   4
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  0.37334400  0.37334400  0.62665600  1.0
  Cr  Cr1  1  0.62665600  0.62665600  0.37334400  1.0
  Cr  Cr2  1  0.87665600  0.87665600  0.62334400  1.0
  Cr  Cr3  1  0.62334400  0.62334400  0.87665600  1.0
  Sn  Sn4  1  0.08134400  0.08134400  0.91865600  1.0
  Sn  Sn5  1  0.91865600  0.91865600  0.08134400  1.0
  Sn  Sn6  1  0.16865600  0.16865600  0.33134400  1.0
  Sn  Sn7  1  0.33134400  0.33134400  0.16865600  1.0
  Sn  Sn8  1  0.33509200  0.66490800  0.33509200  1.0
  Sn  Sn9  1  0.66490800  0.33509200  0.66490800  1.0
  Sn  Sn10  1  0.91490800  0.58509200  0.91490800  1.0
  Sn  Sn11  1  0.58509200  0.91490800  0.58509200  1.0
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