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  1. Third-Parties
  2. MatprojStructure
  3. mp-667344

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-667344
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 174
  • Number of elements: 4
  • Element list: ['Rb', 'Nb', 'P', 'O']
  • Chemical System: Nb-O-P-Rb
  • Density: 3.9277399214724156
  • Atomic Density: 0.0631122194113936
  • Unit Cell Volume: 2756.993837687602
  • Molar Volume: 9.541956876440997
  • Full Formula: Rb18 Nb30 P12 O114
  • Reduced Formula: Rb3Nb5P2O19
  • Formula Anonymous: A2B3C5D19
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -1458.60265089
  • Final energy per atom: -8.382773855689654
  • 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.