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  1. Third-Parties
  2. MatprojStructure
  3. mp-1239130

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-1239130
  • 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: 28
  • Number of elements: 4
  • Element list: ['Nb', 'Cr', 'Cu', 'S']
  • Chemical System: Cr-Cu-Nb-S
  • Density: 4.29018792612695
  • Atomic Density: 0.05718605504954405
  • Unit Cell Volume: 489.6298577641307
  • Molar Volume: 10.530785441979907
  • Full Formula: Nb2 Cr6 Cu4 S16
  • Reduced Formula: NbCr3(CuS4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -186.34092297
  • Final energy per atom: -6.655032963214286
  • 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.