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  1. Third-Parties
  2. MatprojStructure
  3. mp-18291

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-18291
  • 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: 40
  • Number of elements: 3
  • Element list: ['Ba', 'Sb', 'Te']
  • Chemical System: Ba-Sb-Te
  • Density: 5.795653649103471
  • Atomic Density: 0.02718721681789024
  • Unit Cell Volume: 1471.2796925089608
  • Molar Volume: 22.150633514046202
  • Full Formula: Ba8 Sb8 Te24
  • Reduced Formula: BaSbTe3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -165.47172108
  • Final energy per atom: -4.136793027
  • 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.