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  1. Third-Parties
  2. MatprojStructure
  3. mp-1212469

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-1212469
  • 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: 132
  • Number of elements: 4
  • Element list: ['Mo', 'P', 'H', 'O']
  • Chemical System: H-Mo-O-P
  • Density: 2.590434907811805
  • Atomic Density: 0.05609868132856273
  • Unit Cell Volume: 2352.9964853700044
  • Molar Volume: 10.734906092942005
  • Full Formula: Mo24 P2 H26 O80
  • Reduced Formula: Mo12PH13O40
  • Formula Anonymous: AB12C13D40
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -895.95689758
  • Final energy per atom: -6.7875522543939395
  • 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.