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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117649
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Ca', 'Be', 'P']
  • Chemical System: Be-Ca-P
  • Density: 2.0755655845656564
  • Atomic Density: 0.046835120105445625
  • Unit Cell Volume: 64.0544957127415
  • Molar Volume: 12.858172983098195
  • Full Formula: Ca1 Be1 P1
  • Reduced Formula: CaBeP
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm