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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2991
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Mg', 'As']
  • Chemical System: As-Ca-Mg
  • Density: 3.3961271836561773
  • Atomic Density: 0.04287060968524795
  • Unit Cell Volume: 116.63001848374766
  • Molar Volume: 14.047247763010603
  • Full Formula: Ca1 Mg2 As2
  • Reduced Formula: Ca(MgAs)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1