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  1. Third-Parties
  2. MatprojStructure
  3. mp-769153

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-769153
  • 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: 44
  • Number of elements: 5
  • Element list: ['Li', 'Sb', 'S', 'O', 'F']
  • Chemical System: F-Li-O-S-Sb
  • Density: 3.282837528988142
  • Atomic Density: 0.07532627298438675
  • Unit Cell Volume: 584.1255415506897
  • Molar Volume: 7.994741438021551
  • Full Formula: Li8 Sb4 S4 O16 F12
  • Reduced Formula: Li2SbSO4F3
  • Formula Anonymous: ABC2D3E4
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -255.11022289
  • Final energy per atom: -5.797959611136363
  • 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.