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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229198

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-1229198
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 4
  • Element list: ['Ba', 'Co', 'Ir', 'O']
  • Chemical System: Ba-Co-Ir-O
  • Density: 6.820499321281247
  • Atomic Density: 0.07225143531176553
  • Unit Cell Volume: 692.027774732081
  • Molar Volume: 8.334977338532326
  • Full Formula: Ba10 Co7 Ir3 O30
  • Reduced Formula: Ba10Co7(IrO10)3
  • Formula Anonymous: A3B7C10D30
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -343.18868107000003
  • Final energy per atom: -6.863773621400001
  • 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.