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  1. Third-Parties
  2. MatprojStructure
  3. mp-651786

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-651786
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 57
  • Number of elements: 5
  • Element list: ['Ca', 'Mn', 'Si', 'Pb', 'O']
  • Chemical System: Ca-Mn-O-Pb-Si
  • Density: 5.4159576956203965
  • Atomic Density: 0.06408724396128058
  • Unit Cell Volume: 889.4125644478881
  • Molar Volume: 9.396785362838166
  • Full Formula: Ca5 Mn1 Si9 Pb9 O33
  • Reduced Formula: Ca5MnSi9(Pb3O11)3
  • Formula Anonymous: AB5C9D9E33
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -422.62261677
  • Final energy per atom: -7.414431873157894
  • 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.