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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213344

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-1213344
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 6
  • Element list: ['Na', 'U', 'H', 'S', 'N', 'O']
  • Chemical System: H-N-Na-O-S-U
  • Density: 2.4825748326972517
  • Atomic Density: 0.08325378999767914
  • Unit Cell Volume: 1153.100657671875
  • Molar Volume: 7.233473407238131
  • Full Formula: Na3 U2 H28 S10 N9 O44
  • Reduced Formula: Na3U2H28S10N9O44
  • Formula Anonymous: A2B3C9D10E28F44
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -582.6443081
  • Final energy per atom: -6.0692115427083335
  • 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.