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  1. Third-Parties
  2. MatprojStructure
  3. mp-532538

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-532538
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 5
  • Element list: ['Rb', 'Nd', 'Hf', 'Mo', 'O']
  • Chemical System: Hf-Mo-Nd-O-Rb
  • Density: 4.039592186886447
  • Atomic Density: 0.05264669371868857
  • Unit Cell Volume: 1405.5963399223192
  • Molar Volume: 11.438782446963533
  • Full Formula: Rb10 Nd2 Hf2 Mo12 O48
  • Reduced Formula: Rb5NdHf(MoO4)6
  • Formula Anonymous: ABC5D6E24
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -586.11929531
  • Final energy per atom: -7.920531017702703
  • 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.