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  1. Third-Parties
  2. MatprojStructure
  3. mp-24202

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-24202
  • 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: 38
  • Number of elements: 2
  • Element list: ['Th', 'H']
  • Chemical System: H-Th
  • Density: 8.244965732021765
  • Atomic Density: 0.1000130609415776
  • Unit Cell Volume: 379.95037490351
  • Molar Volume: 6.021354314430813
  • Full Formula: Th8 H30
  • Reduced Formula: Th4H15
  • Formula Anonymous: A4B15
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -184.00001013
  • Final energy per atom: -4.842105529736842
  • 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.