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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192972

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-1192972
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 6
  • Element list: ['Pb', 'C', 'S', 'N', 'O', 'F']
  • Chemical System: C-F-N-O-Pb-S
  • Density: 2.5048706307895663
  • Atomic Density: 0.046319775294112596
  • Unit Cell Volume: 561.3153309771062
  • Molar Volume: 13.001230514962009
  • Full Formula: Pb2 C6 S4 N2 O8 F4
  • Reduced Formula: PbC3S2N(O2F)2
  • Formula Anonymous: ABC2D2E3F4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -132.07473031
  • Final energy per atom: -5.079797319615385
  • 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.