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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195904

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-1195904
  • 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: 98
  • Number of elements: 7
  • Element list: ['Al', 'Zn', 'B', 'H', 'C', 'N', 'O']
  • Chemical System: Al-B-C-H-N-O-Zn
  • Density: 1.7515165392921934
  • Atomic Density: 0.11003655530666784
  • Unit Cell Volume: 890.613121492922
  • Molar Volume: 5.4728546738095485
  • Full Formula: Al2 Zn2 B10 H42 C12 N10 O20
  • Reduced Formula: AlZnB5H21C6(NO2)5
  • Formula Anonymous: ABC5D5E6F10G21
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -626.14312936
  • Final energy per atom: -6.389215605714286
  • 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.