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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198405

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-1198405
  • 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: 88
  • Number of elements: 7
  • Element list: ['Na', 'Cu', 'P', 'H', 'C', 'S', 'O']
  • Chemical System: C-Cu-H-Na-O-P-S
  • Density: 2.2670381647962228
  • Atomic Density: 0.09699621932676694
  • Unit Cell Volume: 907.2518559052295
  • Molar Volume: 6.208634523900602
  • Full Formula: Na4 Cu4 P4 H32 C8 S4 O32
  • Reduced Formula: NaCuPH8C2SO8
  • Formula Anonymous: ABCDE2F8G8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -512.93530771
  • Final energy per atom: -5.828810314886363
  • 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.