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  1. Third-Parties
  2. MatprojStructure
  3. mp-559811

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-559811
  • 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: 140
  • Number of elements: 4
  • Element list: ['K', 'U', 'Cu', 'S']
  • Chemical System: Cu-K-S-U
  • Density: 3.9324775640044716
  • Atomic Density: 0.04241523053838599
  • Unit Cell Volume: 3300.701144917728
  • Molar Volume: 14.198062072419798
  • Full Formula: K24 U8 Cu48 S60
  • Reduced Formula: K6U2(Cu4S5)3
  • Formula Anonymous: A2B6C12D15
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -708.6841365099999
  • Final energy per atom: -5.0620295465
  • 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.