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  1. Third-Parties
  2. MatprojStructure
  3. mp-28597

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-28597
  • 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: 80
  • Number of elements: 3
  • Element list: ['Na', 'In', 'Te']
  • Chemical System: In-Na-Te
  • Density: 3.607745210456372
  • Atomic Density: 0.02935331350865577
  • Unit Cell Volume: 2725.416330814217
  • Molar Volume: 20.516050967207423
  • Full Formula: Na40 In8 Te32
  • Reduced Formula: Na5InTe4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -253.40191423
  • Final energy per atom: -3.167523927875
  • 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.