Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1208737

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-1208737
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 4
  • Element list: ['Tb', 'Hf', 'Mo', 'O']
  • Chemical System: Hf-Mo-O-Tb
  • Density: 4.4081053559830465
  • Atomic Density: 0.057696529561582395
  • Unit Cell Volume: 1351.9010691405051
  • Molar Volume: 10.437613502511045
  • Full Formula: Tb4 Hf4 Mo14 O56
  • Reduced Formula: Tb2Hf2(MoO4)7
  • Formula Anonymous: A2B2C7D28
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -689.15970545
  • Final energy per atom: -8.835380839102564
  • 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.