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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212218

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-1212218
  • 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: 100
  • Number of elements: 3
  • Element list: ['La', 'Sb', 'Se']
  • Chemical System: La-Sb-Se
  • Density: 5.7818310416302
  • Atomic Density: 0.034281956272157875
  • Unit Cell Volume: 2916.986393837014
  • Molar Volume: 17.5665026586913
  • Full Formula: La32 Sb8 Se60
  • Reduced Formula: La8Sb2Se15
  • Formula Anonymous: A2B8C15
  • Spacegroup Number: 110
  • Spacegroup Symbol: I4_1cd
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -596.58685971
  • Final energy per atom: -5.9658685971
  • 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.