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  1. Third-Parties
  2. MatprojStructure
  3. mp-667372

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-667372
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 4
  • Element list: ['Ba', 'Zr', 'Sb', 'O']
  • Chemical System: Ba-O-Sb-Zr
  • Density: 6.268816930999685
  • Atomic Density: 0.06563131524891133
  • Unit Cell Volume: 594.2285302692744
  • Molar Volume: 9.17571244330639
  • Full Formula: Ba8 Zr3 Sb4 O24
  • Reduced Formula: Ba8Zr3(SbO6)4
  • Formula Anonymous: A3B4C8D24
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -292.87753451
  • Final energy per atom: -7.509680372051282
  • 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.