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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202499

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-1202499
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 4
  • Element list: ['Ba', 'Zn', 'Ru', 'O']
  • Chemical System: Ba-O-Ru-Zn
  • Density: 6.902757401244381
  • Atomic Density: 0.0846359253368235
  • Unit Cell Volume: 1701.4051589431647
  • Molar Volume: 7.115348164545772
  • Full Formula: Ba8 Zn8 Ru40 O88
  • Reduced Formula: BaZnRu5O11
  • Formula Anonymous: ABC5D11
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -1065.95725758
  • Final energy per atom: -7.402480955416667
  • 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.