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  1. Third-Parties
  2. MatprojStructure
  3. mp-1244966

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-1244966
  • 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: 100
  • Number of elements: 2
  • Element list: ['Mo', 'O']
  • Chemical System: Mo-O
  • Density: 3.0685511266928978
  • Atomic Density: 0.05135328028441999
  • Unit Cell Volume: 1947.2952739562165
  • Molar Volume: 11.726886241047097
  • Full Formula: Mo25 O75
  • Reduced Formula: MoO3
  • Formula Anonymous: AB3
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -782.09817467
  • Final energy per atom: -7.8209817467
  • 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.