Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1204674

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-1204674
  • 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: 100
  • Number of elements: 4
  • Element list: ['Ni', 'Te', 'Pb', 'O']
  • Chemical System: Ni-O-Pb-Te
  • Density: 7.41491707868675
  • Atomic Density: 0.077270930162675
  • Unit Cell Volume: 1294.1477446883907
  • Molar Volume: 7.79353988275003
  • Full Formula: Ni18 Te10 Pb12 O60
  • Reduced Formula: Ni9Te5(PbO5)6
  • Formula Anonymous: A5B6C9D30
  • Spacegroup Number: 182
  • Spacegroup Symbol: P6_322
  • Crystal System: hexagonal
  • Pointgroup: 622

Thermodynamics:

  • Final energy: -624.19045403
  • Final energy per atom: -6.241904540299999
  • 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.