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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234519

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-1234519
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 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: 3.615393793809439
  • Atomic Density: 0.06791576907565268
  • Unit Cell Volume: 633.1372019376159
  • Molar Volume: 8.86707290804853
  • Full Formula: Ba2 Mg1 Mo4 P8 O28
  • Reduced Formula: Ba2MgMo4(P2O7)4
  • Formula Anonymous: AB2C4D8E28
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -343.43431636
  • Final energy per atom: -7.986844566511628
  • 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.