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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199815

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-1199815
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 5
  • Element list: ['Sb', 'S', 'N', 'O', 'F']
  • Chemical System: F-N-O-S-Sb
  • Density: 2.5769116740156233
  • Atomic Density: 0.056369280227613
  • Unit Cell Volume: 1561.134001439536
  • Molar Volume: 10.683373524876055
  • Full Formula: Sb8 S8 N16 O32 F24
  • Reduced Formula: SbSN2O4F3
  • Formula Anonymous: ABC2D3E4
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -467.46911159
  • Final energy per atom: -5.312148995340909
  • 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.