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  1. Third-Parties
  2. MatprojStructure
  3. mp-859120

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-859120
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 3
  • Element list: ['Th', 'Nb', 'O']
  • Chemical System: Nb-O-Th
  • Density: 5.355441482065461
  • Atomic Density: 0.06890798533123954
  • Unit Cell Volume: 493.4116102301144
  • Molar Volume: 8.739394615952955
  • Full Formula: Th2 Nb8 O24
  • Reduced Formula: ThNb4O12
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -323.70287768000003
  • Final energy per atom: -9.520672872941176
  • 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.