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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194532

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-1194532
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 60
  • Number of elements: 5
  • Element list: ['Cd', 'Ni', 'Te', 'Pb', 'O']
  • Chemical System: Cd-Ni-O-Pb-Te
  • Density: 6.855885955702322
  • Atomic Density: 0.08512972405924855
  • Unit Cell Volume: 704.8067013378455
  • Molar Volume: 7.074075273412977
  • Full Formula: Cd4 Ni12 Te6 Pb2 O36
  • Reduced Formula: Cd2Ni6Te3PbO18
  • Formula Anonymous: AB2C3D6E18
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -363.96526586
  • Final energy per atom: -6.066087764333333
  • 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.