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  1. Third-Parties
  2. MatprojStructure
  3. mp-1239162

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1239162
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Ta', 'Cr', 'Cu', 'S']
  • Chemical System: Cr-Cu-S-Ta
  • Density: 4.77097718823142
  • Atomic Density: 0.05582429571925456
  • Unit Cell Volume: 501.5737259062709
  • Molar Volume: 10.787669924732938
  • Full Formula: Ta2 Cr6 Cu4 S16
  • Reduced Formula: TaCr3(CuS4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -187.92172777
  • Final energy per atom: -6.711490277499999
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.