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  1. Third-Parties
  2. MatprojStructure
  3. mp-574428

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-574428
  • 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: 60
  • Number of elements: 4
  • Element list: ['K', 'U', 'P', 'Se']
  • Chemical System: K-P-Se-U
  • Density: 4.269452865795746
  • Atomic Density: 0.03444126090797283
  • Unit Cell Volume: 1742.0964975794648
  • Molar Volume: 17.485250543210892
  • Full Formula: K8 U4 P12 Se36
  • Reduced Formula: K2U(PSe3)3
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -297.39582635
  • Final energy per atom: -4.956597105833334
  • 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.