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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219795

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-1219795
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ni', 'Sn', 'Se']
  • Chemical System: Ni-Se-Sn
  • Density: 8.14933009714584
  • Atomic Density: 0.07024402991125316
  • Unit Cell Volume: 128.12476749085536
  • Molar Volume: 8.573170940802255
  • Full Formula: Ni6 Sn1 Se2
  • Reduced Formula: Ni6SnSe2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -48.52285542
  • Final energy per atom: -5.39142838
  • 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.