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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-605239
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 116
Number of elements: 6
Element list: ['K', 'Ca', 'Si', 'H', 'O', 'F']
Chemical System: Ca-F-H-K-O-Si
Density: 2.440776040022299
Atomic Density: 0.09397284538486662
Unit Cell Volume: 1234.3991450394096
Molar Volume: 6.408383970216362
Full Formula: K2 Ca8 Si16 H32 O56 F2
Reduced Formula: KCa4Si8H16O28F
Formula Anonymous: ABC4D8E16F28
Spacegroup Number: 128
Spacegroup Symbol: P4/mnc
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -708.30572329
Final energy per atom: -6.106083821465517
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.