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  1. Third-Parties
  2. MatprojStructure
  3. mp-867984

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-867984
  • 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: 40
  • Number of elements: 3
  • Element list: ['Pb', 'N', 'O']
  • Chemical System: N-O-Pb
  • Density: 6.672290923350188
  • Atomic Density: 0.054922505311925364
  • Unit Cell Volume: 728.2988962871432
  • Molar Volume: 10.964796171984544
  • Full Formula: Pb12 N4 O24
  • Reduced Formula: Pb3NO6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -243.52804637
  • Final energy per atom: -6.08820115925
  • 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.