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  1. Third-Parties
  2. MatprojStructure
  3. mp-567177

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-567177
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'Ag', 'Se']
  • Chemical System: Ag-K-Nb-Se
  • Density: 4.32056355803623
  • Atomic Density: 0.03136803348041476
  • Unit Cell Volume: 510.07341630102223
  • Molar Volume: 19.198336943117717
  • Full Formula: K2 Nb2 Ag4 Se8
  • Reduced Formula: KNb(AgSe2)2
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -76.11220996
  • Final energy per atom: -4.7570131225
  • 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.