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  1. Third-Parties
  2. MatprojStructure
  3. mp-671861

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-671861
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['K', 'V', 'Ag', 'Se']
  • Chemical System: Ag-K-Se-V
  • Density: 3.7895894427577863
  • Atomic Density: 0.03302392155618508
  • Unit Cell Volume: 484.49727488537303
  • Molar Volume: 18.23569241997581
  • Full Formula: K4 V2 Ag2 Se8
  • Reduced Formula: K2VAgSe4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -73.5749601
  • Final energy per atom: -4.59843500625
  • 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.