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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247008

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-1247008
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Nb', 'Cr', 'Ag', 'S']
  • Chemical System: Ag-Cr-Nb-S
  • Density: 4.765892118684414
  • Atomic Density: 0.055718175550475244
  • Unit Cell Volume: 502.5290172079437
  • Molar Volume: 10.808215991466781
  • Full Formula: Nb2 Cr6 Ag4 S16
  • Reduced Formula: NbCr3(AgS4)2
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -178.00724302
  • Final energy per atom: -6.357401536428571
  • 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.