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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224624

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-1224624
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['K', 'Ta', 'V', 'S']
  • Chemical System: K-S-Ta-V
  • Density: 2.646870351620969
  • Atomic Density: 0.033280136388334235
  • Unit Cell Volume: 2884.603562912414
  • Molar Volume: 18.095300721516743
  • Full Formula: K36 Ta8 V4 S48
  • Reduced Formula: K9Ta2VS12
  • Formula Anonymous: AB2C9D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -512.61349653
  • Final energy per atom: -5.3397239221875
  • 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.