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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228609

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-1228609
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Ba', 'Co', 'Pt', 'Cl', 'O']
  • Chemical System: Ba-Cl-Co-O-Pt
  • Density: 6.111341104684251
  • Atomic Density: 0.06490429224554689
  • Unit Cell Volume: 739.5504725389452
  • Molar Volume: 9.27849384323759
  • Full Formula: Ba10 Co8 Pt2 Cl2 O26
  • Reduced Formula: Ba5Co4PtClO13
  • Formula Anonymous: ABC4D5E13
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -318.05248236
  • Final energy per atom: -6.6260933825
  • 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.