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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-52418
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 26
  • Number of elements: 6
  • Element list: ['Fe', 'P', 'H', 'Pb', 'S', 'O']
  • Chemical System: Fe-H-O-P-Pb-S
  • Density: 4.644722342411347
  • Atomic Density: 0.10890031539343877
  • Unit Cell Volume: 238.750456378995
  • Molar Volume: 5.5299571339559535
  • Full Formula: Fe3 P1 H6 Pb1 S1 O14
  • Reduced Formula: Fe3PH6PbSO14
  • Formula Anonymous: ABCD3E6F14
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m