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  1. Third-Parties
  2. MatprojStructure
  3. mp-744187

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-744187
  • 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: 35
  • Number of elements: 5
  • Element list: ['Na', 'Ni', 'Mo', 'H', 'O']
  • Chemical System: H-Mo-Na-Ni-O
  • Density: 4.018143281500405
  • Atomic Density: 0.08558755965561465
  • Unit Cell Volume: 408.93793608361113
  • Molar Volume: 7.036233751998255
  • Full Formula: Na2 Ni4 Mo4 H5 O20
  • Reduced Formula: Na2Ni4Mo4(HO4)5
  • Formula Anonymous: A2B4C4D5E20
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -234.94282997
  • Final energy per atom: -6.712652284857143
  • 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.