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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221202

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-1221202
  • 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: 20
  • Number of elements: 4
  • Element list: ['Na', 'Br', 'Cl', 'O']
  • Chemical System: Br-Cl-Na-O
  • Density: 2.5664975090954285
  • Atomic Density: 0.06573934606224247
  • Unit Cell Volume: 304.2318063380774
  • Molar Volume: 9.160633807184812
  • Full Formula: Na4 Br1 Cl3 O12
  • Reduced Formula: Na4Br(ClO4)3
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -93.06605915999998
  • Final energy per atom: -4.653302957999999
  • 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.