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Materials Project

The Materials Project at Berkeley National Labs

Source Website Cite API JSON Python-client

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Filter mix-ins: ['Structure', 'Thermodynamics']

Extra filters: ['energy_uncorrected__range', 'band_gap__range', 'is_gap_direct', 'is_magnetic', 'total_magnetization__range', 'is_theoretical']

Nelements is in range

Multiple values may be separated by commas.

Formula anonymous

Formula full

Formula reduced

Chemical system

Include chemical subsystems in results?

Nsites is in range

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Density is in range

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Density atomic is in range

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Volume is in range

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Volume molar is in range

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Spacegroup number

Spacegroup symbol

Spacegroup crystal system

Spacegroup point group

Energy is in range

Multiple values may be separated by commas.

Energy per atom is in range

Multiple values may be separated by commas.

Energy above hull is in range

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Is stable

Formation energy is in range

Multiple values may be separated by commas.

Formation energy is in range

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This table includes 146323 results that match your search criteria. These results were filtered from the 146323 total possible results.

ID	Dashboards	Full Formula	Spacegroup	Density
mp-974920	simmate / provider	Na₁	139	1.030
mp-1183455	simmate / provider	Ca₁	139	1.590
mp-1245320	simmate / provider	Ti₁₀₀	1	4.532
mp-1065340	simmate / provider	W₄	57	18.148
mp-1179639	simmate / provider	S₄	66	1.789
mp-557376	simmate / provider	S₂₀	15	1.659
mp-1063988	simmate / provider	S₁	229	3.371

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Workflow Type

Materials Project

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