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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213507

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-1213507
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 132
  • Number of elements: 5
  • Element list: ['Na', 'P', 'H', 'W', 'O']
  • Chemical System: H-Na-O-P-W
  • Density: 4.00298904879549
  • Atomic Density: 0.054634974768769703
  • Unit Cell Volume: 2416.034793804892
  • Molar Volume: 11.02250121920503
  • Full Formula: Na2 P2 H24 W24 O80
  • Reduced Formula: NaPH12(W3O10)4
  • Formula Anonymous: ABC12D12E40
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -973.12623716
  • Final energy per atom: -7.372168463333333
  • 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.