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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229316

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-1229316
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 180
  • Number of elements: 5
  • Element list: ['Ca', 'In', 'P', 'Pb', 'O']
  • Chemical System: Ca-In-O-P-Pb
  • Density: 3.45361406677364
  • Atomic Density: 0.07394687258426282
  • Unit Cell Volume: 2434.18002289264
  • Molar Volume: 8.143874851688613
  • Full Formula: Ca33 In4 P28 Pb3 O112
  • Reduced Formula: Ca33In4P28Pb3O112
  • Formula Anonymous: A3B4C28D33E112
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1361.61110505
  • Final energy per atom: -7.564506139166667
  • 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.