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  1. Third-Parties
  2. MatprojStructure
  3. mp-38006

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-38006
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ni', 'Sb', 'Te']
  • Chemical System: Ni-Sb-Te
  • Density: 8.455847587783772
  • Atomic Density: 0.05553946694159348
  • Unit Cell Volume: 72.02085688374517
  • Molar Volume: 10.84299344524321
  • Full Formula: Ni2 Sb1 Te1
  • Reduced Formula: Ni2SbTe
  • Formula Anonymous: ABC2
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -20.35683967
  • Final energy per atom: -5.0892099175
  • 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.