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  1. Third-Parties
  2. MatprojStructure
  3. mp-1020716

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-1020716
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Rb', 'B', 'S', 'O']
  • Chemical System: B-O-Rb-S
  • Density: 2.871635287627719
  • Atomic Density: 0.059159730816625386
  • Unit Cell Volume: 1284.6576370601415
  • Molar Volume: 10.179459366822584
  • Full Formula: Rb12 B4 S12 O48
  • Reduced Formula: Rb3B(SO4)3
  • Formula Anonymous: AB3C3D12
  • Spacegroup Number: 73
  • Spacegroup Symbol: Ibca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -493.8705657500001
  • Final energy per atom: -6.498296917763159
  • 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.