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  1. Third-Parties
  2. MatprojStructure
  3. mp-769338

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-769338
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['Sb', 'N', 'O', 'F']
  • Chemical System: F-N-O-Sb
  • Density: 2.0809610854676426
  • Atomic Density: 0.054968747135273124
  • Unit Cell Volume: 582.148978605077
  • Molar Volume: 10.955572163906258
  • Full Formula: Sb2 N6 O18 F6
  • Reduced Formula: SbN3(O3F)3
  • Formula Anonymous: AB3C3D9
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -192.42841306
  • Final energy per atom: -6.013387908125
  • 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.