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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233577

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-1233577
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 17
  • Number of elements: 4
  • Element list: ['Sm', 'Mg', 'H', 'O']
  • Chemical System: H-Mg-O-Sm
  • Density: 5.069993104713465
  • Atomic Density: 0.06849654431251431
  • Unit Cell Volume: 248.18770305313203
  • Molar Volume: 8.791889898159075
  • Full Formula: Sm4 Mg1 H4 O8
  • Reduced Formula: Sm4Mg(HO2)4
  • Formula Anonymous: AB4C4D8
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -117.96413604
  • Final energy per atom: -6.939066825882353
  • 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.