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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201205

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-1201205
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Li', 'B', 'H', 'N']
  • Chemical System: B-H-Li-N
  • Density: 0.9730134620349766
  • Atomic Density: 0.11632072145083913
  • Unit Cell Volume: 618.9782792090875
  • Molar Volume: 5.177186562194036
  • Full Formula: Li16 B4 H40 N12
  • Reduced Formula: Li4BH10N3
  • Formula Anonymous: AB3C4D10
  • Spacegroup Number: 199
  • Spacegroup Symbol: I2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -330.31402606
  • Final energy per atom: -4.587694806388889
  • 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.