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  1. Third-Parties
  2. MatprojStructure
  3. mp-2196

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-2196
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 2
  • Element list: ['Ba', 'Sb']
  • Chemical System: Ba-Sb
  • Density: 5.7909948142895376
  • Atomic Density: 0.027471020586324762
  • Unit Cell Volume: 655.2359401223159
  • Molar Volume: 21.92179479126399
  • Full Formula: Ba6 Sb12
  • Reduced Formula: BaSb2
  • Formula Anonymous: AB2
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -76.3489118
  • Final energy per atom: -4.241606211111111
  • 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.