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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223113

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-1223113
  • 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: 78
  • Number of elements: 7
  • Element list: ['Na', 'Nb', 'C', 'S', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-N-Na-Nb-O-S
  • Density: 1.9700381293153217
  • Atomic Density: 0.05524000139567949
  • Unit Cell Volume: 1412.0202394871887
  • Molar Volume: 10.90177517712918
  • Full Formula: Na4 Nb4 C16 S8 N6 Cl2 O38
  • Reduced Formula: Na2Nb2C8S4N3ClO19
  • Formula Anonymous: AB2C2D3E4F8G19
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -550.22339343
  • Final energy per atom: -7.054146069615385
  • 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.