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  1. Third-Parties
  2. MatprojStructure
  3. mp-560090

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-560090
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 5
  • Element list: ['Mn', 'Ni', 'Te', 'Pb', 'O']
  • Chemical System: Mn-Ni-O-Pb-Te
  • Density: 6.497235169352897
  • Atomic Density: 0.08759667455521797
  • Unit Cell Volume: 684.9575089997056
  • Molar Volume: 6.8748508896919915
  • Full Formula: Mn4 Ni12 Te6 Pb2 O36
  • Reduced Formula: Mn2Ni6Te3PbO18
  • Formula Anonymous: AB2C3D6E18
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -402.41895533
  • Final energy per atom: -6.706982588833333
  • 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.