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  1. Third-Parties
  2. MatprojStructure
  3. mp-1066989

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-1066989
  • 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: 2
  • Number of elements: 1
  • Element list: ['H']
  • Chemical System: H
  • Density: 0.2170027119837974
  • Atomic Density: 0.12965264572492172
  • Unit Cell Volume: 15.425832529814404
  • Molar Volume: 4.644826741736463
  • Full Formula: H2
  • Reduced Formula: H
  • Formula Anonymous: A
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -6.68052013
  • Final energy per atom: -3.340260065
  • 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.