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  1. Third-Parties
  2. MatprojStructure
  3. mp-568694

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-568694
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 27
  • Number of elements: 3
  • Element list: ['Na', 'U', 'Br']
  • Chemical System: Br-Na-U
  • Density: 4.064480591252669
  • Atomic Density: 0.028855449964558227
  • Unit Cell Volume: 935.6984567269897
  • Molar Volume: 20.87002894564704
  • Full Formula: Na6 U3 Br18
  • Reduced Formula: Na2UBr6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -119.93286932
  • Final energy per atom: -4.441958122962963
  • 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.