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  1. Third-Parties
  2. MatprojStructure
  3. mp-1206156

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-1206156
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Pb', 'N', 'F']
  • Chemical System: F-N-Pb
  • Density: 4.226691445918199
  • Atomic Density: 0.06560168160005975
  • Unit Cell Volume: 137.19160516141105
  • Molar Volume: 9.17985730413733
  • Full Formula: Pb1 N2 F6
  • Reduced Formula: Pb(NF3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -32.34021437
  • Final energy per atom: -3.593357152222222
  • 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.