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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197601

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-1197601
  • 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: 85
  • Number of elements: 6
  • Element list: ['Rb', 'Mg', 'Fe', 'H', 'Se', 'O']
  • Chemical System: Fe-H-Mg-O-Rb-Se
  • Density: 3.6895986607140334
  • Atomic Density: 0.06552509950424072
  • Unit Cell Volume: 1297.2128336027765
  • Molar Volume: 9.190586211334564
  • Full Formula: Rb4 Mg1 Fe8 H6 Se16 O50
  • Reduced Formula: Rb4MgFe8H6(Se8O25)2
  • Formula Anonymous: AB4C6D8E16F50
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -525.34599444
  • Final energy per atom: -6.180541111058824
  • 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.