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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173805

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-1173805
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 47
  • Number of elements: 5
  • Element list: ['Na', 'Np', 'H', 'S', 'O']
  • Chemical System: H-Na-Np-O-S
  • Density: 3.1309753169632137
  • Atomic Density: 0.07704265630932673
  • Unit Cell Volume: 610.0516551674272
  • Molar Volume: 7.816631783594102
  • Full Formula: Na6 Np2 H10 S4 O25
  • Reduced Formula: Na6Np2H10S4O25
  • Formula Anonymous: A2B4C6D10E25
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -304.42209148
  • Final energy per atom: -6.477065776170213
  • 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.