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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201672

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-1201672
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 4
  • Element list: ['Na', 'Zn', 'B', 'H']
  • Chemical System: B-H-Na-Zn
  • Density: 1.136200856688692
  • Atomic Density: 0.08402105222251237
  • Unit Cell Volume: 1332.9992547985614
  • Molar Volume: 7.167418879796466
  • Full Formula: Na4 Zn8 B20 H80
  • Reduced Formula: NaZn2(BH4)5
  • Formula Anonymous: AB2C5D20
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -447.46740658
  • Final energy per atom: -3.9952447016071426
  • 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.