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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211465

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-1211465
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Li', 'Ni', 'F']
  • Chemical System: F-Li-Ni
  • Density: 3.070383973766459
  • Atomic Density: 0.09555365831603527
  • Unit Cell Volume: 418.61296265291634
  • Molar Volume: 6.302365462641213
  • Full Formula: Li12 Ni4 F24
  • Reduced Formula: Li3NiF6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -199.1912763
  • Final energy per atom: -4.9797819075
  • 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.