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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200414

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-1200414
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 3
  • Element list: ['Sr', 'B', 'H']
  • Chemical System: B-H-Sr
  • Density: 1.4845240071460066
  • Atomic Density: 0.09740813375214095
  • Unit Cell Volume: 513.3041571993061
  • Molar Volume: 6.182379774694778
  • Full Formula: Sr2 B24 H24
  • Reduced Formula: Sr(BH)12
  • Formula Anonymous: AB12C12
  • Spacegroup Number: 159
  • Spacegroup Symbol: P31c
  • Crystal System: trigonal
  • Pointgroup: 31m

Thermodynamics:

  • Final energy: -266.99516401
  • Final energy per atom: -5.3399032802
  • 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.