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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182342

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-1182342
  • 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: 22
  • Number of elements: 5
  • Element list: ['Ba', 'Na', 'Y', 'B', 'O']
  • Chemical System: B-Ba-Na-O-Y
  • Density: 3.9556487479040863
  • Atomic Density: 0.07143045500522574
  • Unit Cell Volume: 307.9918782316382
  • Molar Volume: 8.430774743853204
  • Full Formula: Ba2 Na2 Y2 B4 O12
  • Reduced Formula: BaNaY(BO3)2
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -174.9656515
  • Final energy per atom: -7.952984159090909
  • 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.