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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221671

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-1221671
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 5
  • Element list: ['Na', 'Cu', 'Si', 'H', 'O']
  • Chemical System: Cu-H-Na-O-Si
  • Density: 2.689028130252502
  • Atomic Density: 0.08722372580701307
  • Unit Cell Volume: 710.8157720432415
  • Molar Volume: 6.904246183342699
  • Full Formula: Na4 Cu4 Si10 H12 O32
  • Reduced Formula: Na2Cu2Si5(H3O8)2
  • Formula Anonymous: A2B2C5D6E16
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -414.28998886
  • Final energy per atom: -6.682096594516129
  • 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.