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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215916

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-1215916
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 43
  • Number of elements: 4
  • Element list: ['Zn', 'Bi', 'Ru', 'O']
  • Chemical System: Bi-O-Ru-Zn
  • Density: 7.97340926795342
  • Atomic Density: 0.07864909091153505
  • Unit Cell Volume: 546.7323207634612
  • Molar Volume: 7.65697440390473
  • Full Formula: Zn2 Bi6 Ru8 O27
  • Reduced Formula: Zn2Bi6Ru8O27
  • Formula Anonymous: A2B6C8D27
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -298.61813793
  • Final energy per atom: -6.944607858837209
  • 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.