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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199989

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-1199989
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 6
  • Element list: ['K', 'Na', 'Np', 'H', 'S', 'O']
  • Chemical System: H-K-Na-Np-O-S
  • Density: 4.497786751185652
  • Atomic Density: 0.06951313919116367
  • Unit Cell Volume: 1208.4046408693605
  • Molar Volume: 8.663312907562545
  • Full Formula: K6 Na2 Np8 H8 S8 O52
  • Reduced Formula: K3NaNp4H4(S2O13)2
  • Formula Anonymous: AB3C4D4E4F26
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -636.9162317500001
  • Final energy per atom: -7.582336092261905
  • 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.