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  1. Third-Parties
  2. MatprojStructure
  3. mp-562270

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-562270
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 4
  • Element list: ['Ba', 'Yb', 'Co', 'O']
  • Chemical System: Ba-Co-O-Yb
  • Density: 6.011264807286383
  • Atomic Density: 0.0715107183608648
  • Unit Cell Volume: 363.5818601177533
  • Molar Volume: 8.421312074660541
  • Full Formula: Ba2 Yb2 Co8 O14
  • Reduced Formula: BaYbCo4O7
  • Formula Anonymous: ABC4D7
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -181.76220867
  • Final energy per atom: -6.9908541796153845
  • 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.