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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105201

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-1105201
  • 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: 20
  • Number of elements: 4
  • Element list: ['Ba', 'In', 'Te', 'S']
  • Chemical System: Ba-In-S-Te
  • Density: 4.718509679146709
  • Atomic Density: 0.03021703913101575
  • Unit Cell Volume: 661.8782175607454
  • Molar Volume: 19.929618960643566
  • Full Formula: Ba5 In4 Te4 S7
  • Reduced Formula: Ba5In4Te4S7
  • Formula Anonymous: A4B4C5D7
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -92.89612366
  • Final energy per atom: -4.644806183
  • 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.