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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224616

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-1224616
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 4
  • Element list: ['K', 'U', 'P', 'S']
  • Chemical System: K-P-S-U
  • Density: 2.5290801330075237
  • Atomic Density: 0.03510013086328416
  • Unit Cell Volume: 2393.1534707714336
  • Molar Volume: 17.15703221579538
  • Full Formula: K20 U4 P12 S48
  • Reduced Formula: K5U(PS4)3
  • Formula Anonymous: AB3C5D12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -431.98219803
  • Final energy per atom: -5.142645214642857
  • 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.