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  1. Third-Parties
  2. MatprojStructure
  3. mp-1233692

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-1233692
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 43
  • Number of elements: 5
  • Element list: ['Ba', 'Mg', 'Mo', 'P', 'O']
  • Chemical System: Ba-Mg-Mo-O-P
  • Density: 3.5876296829915937
  • Atomic Density: 0.06739421567194756
  • Unit Cell Volume: 638.0369527454637
  • Molar Volume: 8.93569381282477
  • Full Formula: Ba2 Mg1 Mo4 P8 O28
  • Reduced Formula: Ba2MgMo4(P2O7)4
  • Formula Anonymous: AB2C4D8E28
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -343.61474962
  • Final energy per atom: -7.991040688837209
  • 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.