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  1. Third-Parties
  2. MatprojStructure
  3. mp-647164

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-647164
  • 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: 29
  • Number of elements: 3
  • Element list: ['Cu', 'Sb', 'S']
  • Chemical System: Cu-S-Sb
  • Density: 4.990496139138391
  • Atomic Density: 0.052300245160957146
  • Unit Cell Volume: 554.4907086142858
  • Molar Volume: 11.514555508232325
  • Full Formula: Cu12 Sb4 S13
  • Reduced Formula: Cu12Sb4S13
  • Formula Anonymous: A4B12C13
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -132.44621143999998
  • Final energy per atom: -4.567110739310344
  • 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.