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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201766

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-1201766
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 110
  • Number of elements: 7
  • Element list: ['Na', 'Cu', 'H', 'C', 'S', 'N', 'O']
  • Chemical System: C-Cu-H-N-Na-O-S
  • Density: 1.7219648177431437
  • Atomic Density: 0.09518808606088393
  • Unit Cell Volume: 1155.6068049276894
  • Molar Volume: 6.326569856807643
  • Full Formula: Na2 Cu2 H56 C2 S12 N8 O28
  • Reduced Formula: NaCuH28CS6(N2O7)2
  • Formula Anonymous: ABCD4E6F14G28
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -581.71513342
  • Final energy per atom: -5.288319394727273
  • 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.