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  1. Third-Parties
  2. MatprojStructure
  3. mp-774794

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-774794
  • 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: 88
  • Number of elements: 4
  • Element list: ['Li', 'Sm', 'Sb', 'O']
  • Chemical System: Li-O-Sb-Sm
  • Density: 5.908284832629611
  • Atomic Density: 0.0849640045097706
  • Unit Cell Volume: 1035.7327259672686
  • Molar Volume: 7.087873028992499
  • Full Formula: Li20 Sm12 Sb8 O48
  • Reduced Formula: Li5Sm3(SbO6)2
  • Formula Anonymous: A2B3C5D12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -607.92901727
  • Final energy per atom: -6.908284287159091
  • 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.