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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223460

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-1223460
  • 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: 48
  • Number of elements: 4
  • Element list: ['K', 'Sn', 'Au', 'S']
  • Chemical System: Au-K-S-Sn
  • Density: 4.454546546706895
  • Atomic Density: 0.035690951674881816
  • Unit Cell Volume: 1344.8786806595833
  • Molar Volume: 16.87301816678146
  • Full Formula: K8 Sn8 Au8 S24
  • Reduced Formula: KSnAuS3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 103
  • Spacegroup Symbol: P4cc
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -207.45776432
  • Final energy per atom: -4.322036756666667
  • 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.