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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194624

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-1194624
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['K', 'Pb', 'C', 'O', 'F']
  • Chemical System: C-F-K-O-Pb
  • Density: 5.155576466340071
  • Atomic Density: 0.06427234841512526
  • Unit Cell Volume: 591.2340366741201
  • Molar Volume: 9.369722607775142
  • Full Formula: K4 Pb6 C6 O18 F4
  • Reduced Formula: K2Pb3C3O9F2
  • Formula Anonymous: A2B2C3D3E9
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -257.70124662
  • Final energy per atom: -6.781611753157895
  • 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.