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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195389

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-1195389
  • 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: 132
  • Number of elements: 6
  • Element list: ['P', 'H', 'Pb', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-P-Pb
  • Density: 1.9876510714520867
  • Atomic Density: 0.0820626068721652
  • Unit Cell Volume: 1608.5279889490455
  • Molar Volume: 7.338471186250664
  • Full Formula: P8 H64 Pb4 C24 N8 O24
  • Reduced Formula: P2H16PbC6(NO3)2
  • Formula Anonymous: AB2C2D6E6F16
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -737.2966203399999
  • Final energy per atom: -5.585580457121211
  • 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.