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  1. Third-Parties
  2. MatprojStructure
  3. mp-1236966

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-1236966
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Ni', 'Sn', 'Cl', 'O']
  • Chemical System: Cl-Ni-O-Sn
  • Density: 1.9980393317170897
  • Atomic Density: 0.02660808953732576
  • Unit Cell Volume: 601.3208869263327
  • Molar Volume: 22.632743893740123
  • Full Formula: Ni1 Sn3 Cl6 O6
  • Reduced Formula: NiSn3(ClO)6
  • Formula Anonymous: AB3C6D6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -62.37476182
  • Final energy per atom: -3.89842261375
  • 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.