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  1. Third-Parties
  2. MatprojStructure
  3. mp-978886

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-978886
  • 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: 4
  • Number of elements: 2
  • Element list: ['Sn', 'B']
  • Chemical System: B-Sn
  • Density: 5.713651153668774
  • Atomic Density: 0.053131787915196085
  • Unit Cell Volume: 75.28449835688609
  • Molar Volume: 11.334346153778919
  • Full Formula: Sn2 B2
  • Reduced Formula: SnB
  • Formula Anonymous: AB
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm

Thermodynamics:

  • Final energy: -18.29324453
  • Final energy per atom: -4.5733111325
  • 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.