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  1. Third-Parties
  2. MatprojStructure
  3. mp-704115

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-704115
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 4
  • Element list: ['Cr', 'P', 'Pb', 'O']
  • Chemical System: Cr-O-P-Pb
  • Density: 5.281224574191235
  • Atomic Density: 0.07192428955818554
  • Unit Cell Volume: 1390.350890002211
  • Molar Volume: 8.372888765384591
  • Full Formula: Cr8 P16 Pb12 O64
  • Reduced Formula: Cr2P4Pb3O16
  • Formula Anonymous: A2B3C4D16
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -773.57886512
  • Final energy per atom: -7.7357886512
  • 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.