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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217377

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-1217377
  • 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: 115
  • Number of elements: 6
  • Element list: ['Zn', 'Te', 'As', 'P', 'Pb', 'O']
  • Chemical System: As-O-P-Pb-Te-Zn
  • Density: 6.162045048646028
  • Atomic Density: 0.068337675731843
  • Unit Cell Volume: 1682.8198906158284
  • Molar Volume: 8.812328917405496
  • Full Formula: Zn15 Te5 As2 P8 Pb15 O70
  • Reduced Formula: Zn15Te5As2P8(Pb3O14)5
  • Formula Anonymous: A2B5C8D15E15F70
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -721.46999097
  • Final energy per atom: -6.273652095391305
  • 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.