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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202477

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-1202477
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 126
  • Number of elements: 4
  • Element list: ['Sm', 'B', 'Cl', 'O']
  • Chemical System: B-Cl-O-Sm
  • Density: 3.172685780785679
  • Atomic Density: 0.07969552863402397
  • Unit Cell Volume: 1581.0171807582128
  • Molar Volume: 7.55643492579708
  • Full Formula: Sm8 B36 Cl6 O76
  • Reduced Formula: Sm4B18Cl3O38
  • Formula Anonymous: A3B4C18D38
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -978.83300354
  • Final energy per atom: -7.768515901111112
  • 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.