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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210485

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-1210485
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 5
  • Element list: ['Na', 'B', 'H', 'Pb', 'O']
  • Chemical System: B-H-Na-O-Pb
  • Density: 4.853800005407902
  • Atomic Density: 0.08776432081082065
  • Unit Cell Volume: 888.7438457836639
  • Molar Volume: 6.861718639606355
  • Full Formula: Na2 B20 H6 Pb8 O42
  • Reduced Formula: NaB10H3Pb4O21
  • Formula Anonymous: AB3C4D10E21
  • Spacegroup Number: 34
  • Spacegroup Symbol: Pnn2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -560.3001541900001
  • Final energy per atom: -7.183335310128206
  • 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.