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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227705

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-1227705
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 6
  • Element list: ['Ba', 'Sr', 'Ca', 'Mg', 'Si', 'O']
  • Chemical System: Ba-Ca-Mg-O-Si-Sr
  • Density: 4.244118092390443
  • Atomic Density: 0.07557008311487749
  • Unit Cell Volume: 185.258496787915
  • Molar Volume: 7.96894817602023
  • Full Formula: Ba1 Sr1 Ca1 Mg1 Si2 O8
  • Reduced Formula: BaSrCaMg(SiO4)2
  • Formula Anonymous: ABCDE2F8
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1

Thermodynamics:

  • Final energy: -104.79500374
  • Final energy per atom: -7.48535741
  • 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.