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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214337

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-1214337
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Be', 'Tl', 'Ni', 'F']
  • Chemical System: Be-F-Ni-Tl
  • Density: 5.019314419564139
  • Atomic Density: 0.07351956227504511
  • Unit Cell Volume: 1033.7384724309877
  • Molar Volume: 8.191208671061563
  • Full Formula: Be12 Tl8 Ni8 F48
  • Reduced Formula: Be3Tl2Ni2F12
  • Formula Anonymous: A2B2C3D12
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -419.26837114
  • Final energy per atom: -5.5166890939473685
  • 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.