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  1. Third-Parties
  2. MatprojStructure
  3. mp-541255

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-541255
  • 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: 36
  • Number of elements: 4
  • Element list: ['Ba', 'Mo', 'P', 'O']
  • Chemical System: Ba-Mo-O-P
  • Density: 3.7975204887845124
  • Atomic Density: 0.0670300470266305
  • Unit Cell Volume: 537.07257561221
  • Molar Volume: 8.984240690756867
  • Full Formula: Ba2 Mo4 P6 O24
  • Reduced Formula: BaMo2(PO4)3
  • Formula Anonymous: AB2C3D12
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -294.36141297999995
  • Final energy per atom: -8.17670591611111
  • 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.