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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199812

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-1199812
  • 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: 108
  • Number of elements: 3
  • Element list: ['Sm', 'Ni', 'C']
  • Chemical System: C-Ni-Sm
  • Density: 8.696851398774012
  • Atomic Density: 0.08686012997725125
  • Unit Cell Volume: 1243.3782913781652
  • Molar Volume: 6.933147304266301
  • Full Formula: Sm8 Ni88 C12
  • Reduced Formula: Sm2Ni22C3
  • Formula Anonymous: A2B3C22
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -670.09241423
  • Final energy per atom: -6.204559391018519
  • 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.