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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225814

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-1225814
  • 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: 14
  • Number of elements: 4
  • Element list: ['Cu', 'Ni', 'Sn', 'S']
  • Chemical System: Cu-Ni-S-Sn
  • Density: 4.811121862446031
  • Atomic Density: 0.055295015379452125
  • Unit Cell Volume: 253.18737871628232
  • Molar Volume: 10.890928809177717
  • Full Formula: Cu1 Ni3 Sn2 S8
  • Reduced Formula: CuNi3(SnS4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -70.9075057
  • Final energy per atom: -5.064821835714286
  • 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.