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Phase diagrams obtained from DFT cal…
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(Color online) Phase diagram as calculated within the DFT and DFT+D…
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The phase diagram of carbon to 3.5 TPa and 12 000 K, showin…
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Phase diagram of the Al2SiO5 system using …
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(a) Phase diagram generated with DFT, 1-CE, and 02-CE. The DF…
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(Color online) Phase diagram as calculated w…
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13 shows the DFT-predicted phase diagram without the L1 0 phase ...
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(a) The DFT-calculated phase diagram for the Nd-Cr-Fe-O system at T = 0 ...

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The surface phase diagram as obtained from DFT for T = 0.92T c and D ...
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