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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234563

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-1234563
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Ba', 'Mg', 'P', 'O']
  • Chemical System: Ba-Mg-O-P
  • Density: 3.879245908165719
  • Atomic Density: 0.05797300652160264
  • Unit Cell Volume: 586.4798470876353
  • Molar Volume: 10.387835859014753
  • Full Formula: Ba6 Mg1 P6 O21
  • Reduced Formula: Ba6Mg(P2O7)3
  • Formula Anonymous: AB6C6D21
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -252.05397457
  • Final energy per atom: -7.413352193235294
  • 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.