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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223690

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-1223690
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['K', 'Ag', 'Sn', 'Se']
  • Chemical System: Ag-K-Se-Sn
  • Density: 4.570593800396231
  • Atomic Density: 0.03286168926154343
  • Unit Cell Volume: 1460.6674543713204
  • Molar Volume: 18.325718778697855
  • Full Formula: K8 Ag8 Sn8 Se24
  • Reduced Formula: KAgSnSe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 103
  • Spacegroup Symbol: P4cc
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -187.02936182
  • Final energy per atom: -3.8964450379166666
  • 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.