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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195918

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-1195918
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 92
  • Number of elements: 5
  • Element list: ['Na', 'Ga', 'Sb', 'Te', 'Cl']
  • Chemical System: Cl-Ga-Na-Sb-Te
  • Density: 3.5142782102610273
  • Atomic Density: 0.030755818106476415
  • Unit Cell Volume: 2991.3039439073505
  • Molar Volume: 19.580492832775228
  • Full Formula: Na2 Ga12 Sb14 Te16 Cl48
  • Reduced Formula: NaGa6Sb7(TeCl3)8
  • Formula Anonymous: AB6C7D8E24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -348.99695387
  • Final energy per atom: -3.7934451507608697
  • 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.