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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195293

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-1195293
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 7
  • Element list: ['Na', 'Sb', 'C', 'S', 'N', 'O', 'F']
  • Chemical System: C-F-N-Na-O-S-Sb
  • Density: 3.7614517339221414
  • Atomic Density: 0.0572061503004378
  • Unit Cell Volume: 874.0318958260219
  • Molar Volume: 10.527086210787923
  • Full Formula: Na4 Sb10 C4 S4 N4 O6 F18
  • Reduced Formula: Na2Sb5C2S2N2(OF3)3
  • Formula Anonymous: A2B2C2D2E3F5G9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -290.79661641
  • Final energy per atom: -5.815932328200001
  • 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.