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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214445

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-1214445
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Y', 'P', 'O']
  • Chemical System: Ba-Na-O-P-Y
  • Density: 4.2011212712875095
  • Atomic Density: 0.06707360970775886
  • Unit Cell Volume: 208.72590667176402
  • Molar Volume: 8.978405644542757
  • Full Formula: Ba1 Na1 Y2 P2 O8
  • Reduced Formula: BaNaY2(PO4)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -104.26585088
  • Final energy per atom: -7.447560777142857
  • 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.