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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223274

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-1223274
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 5
  • Element list: ['La', 'Bi', 'S', 'O', 'F']
  • Chemical System: Bi-F-La-O-S
  • Density: 6.422922901673022
  • Atomic Density: 0.045027259101918946
  • Unit Cell Volume: 222.0876908666605
  • Molar Volume: 13.374433354623958
  • Full Formula: La2 Bi2 S4 O1 F1
  • Reduced Formula: La2Bi2S4OF
  • Formula Anonymous: ABC2D2E4
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -62.42764004
  • Final energy per atom: -6.242764004
  • 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.