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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221844

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-1221844
  • 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: 52
  • Number of elements: 5
  • Element list: ['Na', 'Ca', 'Pb', 'C', 'O']
  • Chemical System: C-Ca-Na-O-Pb
  • Density: 5.032651561736218
  • Atomic Density: 0.07819679912718935
  • Unit Cell Volume: 664.9888560709562
  • Molar Volume: 7.701262490558999
  • Full Formula: Na4 Ca2 Pb6 C10 O30
  • Reduced Formula: Na2CaPb3(CO3)5
  • Formula Anonymous: AB2C3D5E15
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -378.56902894
  • Final energy per atom: -7.280173633461539
  • 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.