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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198818

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-1198818
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['La', 'Mo', 'O', 'F']
  • Chemical System: F-La-Mo-O
  • Density: 4.665310472784239
  • Atomic Density: 0.0626969375211801
  • Unit Cell Volume: 765.5876331086313
  • Molar Volume: 9.605159355615445
  • Full Formula: La6 Mo8 O32 F2
  • Reduced Formula: La3Mo4O16F
  • Formula Anonymous: AB3C4D16
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -410.62293878
  • Final energy per atom: -8.554644557916667
  • 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.