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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199766

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-1199766
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 200
  • Number of elements: 5
  • Element list: ['Cs', 'Na', 'B', 'H', 'N']
  • Chemical System: B-Cs-H-N-Na
  • Density: 1.1890327817791948
  • Atomic Density: 0.09103171167245584
  • Unit Cell Volume: 2197.0365746787943
  • Molar Volume: 6.615431753791976
  • Full Formula: Cs4 Na4 B40 H124 N28
  • Reduced Formula: CsNaB10H31N7
  • Formula Anonymous: ABC7D10E31
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -1003.42467614
  • Final energy per atom: -5.0171233807
  • 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.