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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210637

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-1210637
  • 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: 20
  • Number of elements: 3
  • Element list: ['Th', 'B', 'Os']
  • Chemical System: B-Os-Th
  • Density: 0.7050679808344311
  • Atomic Density: 0.0033479611316989876
  • Unit Cell Volume: 5973.785003247816
  • Molar Volume: 179.87487079767703
  • Full Formula: Th4 B8 Os8
  • Reduced Formula: Th(BOs)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 86
  • Spacegroup Symbol: P4_2/n
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -74.91008751
  • Final energy per atom: -3.7455043755
  • 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.