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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217849

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-1217849
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Ta', 'V', 'Cu', 'S']
  • Chemical System: Cu-S-Ta-V
  • Density: 4.355506947303
  • Atomic Density: 0.04825556741336673
  • Unit Cell Volume: 331.5679590489702
  • Molar Volume: 12.479680755617588
  • Full Formula: Ta1 V1 Cu6 S8
  • Reduced Formula: TaV(Cu3S4)2
  • Formula Anonymous: ABC6D8
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -92.44346575
  • Final energy per atom: -5.777716609375
  • 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.