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  1. Third-Parties
  2. MatprojStructure
  3. mp-1042299

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-1042299
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Mg', 'Mo', 'O']
  • Chemical System: Mg-Mo-O
  • Density: 3.1629106497336137
  • Atomic Density: 0.058039632880964656
  • Unit Cell Volume: 344.5921176141593
  • Molar Volume: 10.375911185294713
  • Full Formula: Mg2 Mo4 O14
  • Reduced Formula: MgMo2O7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -158.10312785000002
  • Final energy per atom: -7.905156392500001
  • 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.