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  1. Third-Parties
  2. MatprojStructure
  3. mp-14529

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-14529
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Rb', 'Ni', 'Mo', 'O']
  • Chemical System: Mo-Ni-O-Rb
  • Density: 3.963548609737983
  • Atomic Density: 0.05904063571864281
  • Unit Cell Volume: 1287.2490120563193
  • Molar Volume: 10.19999308391328
  • Full Formula: Rb8 Ni8 Mo12 O48
  • Reduced Formula: Rb2Ni2(MoO4)3
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -560.68663047
  • Final energy per atom: -7.377455664078947
  • 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.