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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201917

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-1201917
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Na', 'Sc', 'Mo', 'O']
  • Chemical System: Mo-Na-O-Sc
  • Density: 3.068301873245845
  • Atomic Density: 0.061008359592711045
  • Unit Cell Volume: 1311.2957065896585
  • Molar Volume: 9.871009153833231
  • Full Formula: Na18 Sc2 Mo12 O48
  • Reduced Formula: Na9Sc(MoO4)6
  • Formula Anonymous: AB6C9D24
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -584.1213389
  • Final energy per atom: -7.301516736249999
  • 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.