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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225853

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-1225853
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Cu', 'Ni', 'Sn', 'S']
  • Chemical System: Cu-Ni-S-Sn
  • Density: 4.735176720484231
  • Atomic Density: 0.0500006150049459
  • Unit Cell Volume: 279.9965560146643
  • Molar Volume: 12.044133375968094
  • Full Formula: Cu2 Ni1 Sn3 S8
  • Reduced Formula: Cu2NiSn3S8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -67.78472259
  • Final energy per atom: -4.841765899285714
  • 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.