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  1. Third-Parties
  2. MatprojStructure
  3. mp-738409

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-738409
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 1
  • Element list: ['H']
  • Chemical System: H
  • Density: 0.1252760536033053
  • Atomic Density: 0.07484870418051914
  • Unit Cell Volume: 427.52911156381293
  • Molar Volume: 8.045751527609454
  • Full Formula: H32
  • Reduced Formula: H
  • Formula Anonymous: A
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -108.02237087
  • Final energy per atom: -3.3756990896875
  • 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.