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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194951

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-1194951
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 192
  • Number of elements: 4
  • Element list: ['Y', 'B', 'H', 'N']
  • Chemical System: B-H-N-Y
  • Density: 1.1854691940074118
  • Atomic Density: 0.10229399243581995
  • Unit Cell Volume: 1876.9430679955356
  • Molar Volume: 5.887091330195504
  • Full Formula: Y8 B24 H144 N16
  • Reduced Formula: YB3(H9N)2
  • Formula Anonymous: AB2C3D18
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -903.91283211
  • Final energy per atom: -4.7078793339062495
  • 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.