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  1. Third-Parties
  2. MatprojStructure
  3. mp-8278

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-8278
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Mg', 'P']
  • Chemical System: Ba-Mg-P
  • Density: 3.2354389372150654
  • Atomic Density: 0.03930109954550304
  • Unit Cell Volume: 127.22290362922216
  • Molar Volume: 15.323084671021814
  • Full Formula: Ba1 Mg2 P2
  • Reduced Formula: Ba(MgP)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -20.60113618
  • Final energy per atom: -4.120227236
  • 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.