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  1. Third-Parties
  2. MatprojStructure
  3. mp-17564

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-17564
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 2
  • Element list: ['Ca', 'Sb']
  • Chemical System: Ca-Sb
  • Density: 3.726766148011708
  • Atomic Density: 0.031740216494684684
  • Unit Cell Volume: 1008.1846796904747
  • Molar Volume: 18.973218916161102
  • Full Formula: Ca20 Sb12
  • Reduced Formula: Ca5Sb3
  • Formula Anonymous: A3B5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -123.51419634
  • Final energy per atom: -3.859818635625
  • 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.