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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211748

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-1211748
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['K', 'Ta', 'As', 'S']
  • Chemical System: As-K-S-Ta
  • Density: 3.363809600858748
  • Atomic Density: 0.03797577650285812
  • Unit Cell Volume: 895.3075652696951
  • Molar Volume: 15.85784759278527
  • Full Formula: K6 Ta4 As2 S22
  • Reduced Formula: K3Ta2AsS11
  • Formula Anonymous: AB2C3D11
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -193.70949861
  • Final energy per atom: -5.697338194411764
  • 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.