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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194559

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-1194559
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Co', 'Br', 'N', 'O']
  • Chemical System: Br-Co-N-O
  • Density: 2.8254003522000977
  • Atomic Density: 0.048851036219838107
  • Unit Cell Volume: 573.1710556557114
  • Molar Volume: 12.3275599168446
  • Full Formula: Co4 Br6 N14 O4
  • Reduced Formula: Co2Br3N7O2
  • Formula Anonymous: A2B2C3D7
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -150.97738647
  • Final energy per atom: -5.392049516785714
  • 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.