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{
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{
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{
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"structure_string": "Bi2 Pd3 S2\n1.0\n4.847256 -3.105820 0.000000\n4.847256 3.105820 0.000000\n2.857240 0.000000 4.997818\nBi Pd S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.719859 0.719859 0.719859 S\n0.280141 0.280141 0.280141 S\n",
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{
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"structure_string": "Ga16 Cu36\n1.0\n8.743347 0.000000 0.000000\n0.000000 8.743347 0.000000\n0.000000 0.000000 8.743347\nGa Cu\n16 36\ndirect\n0.880937 0.880937 0.119063 Ga\n0.880937 0.119063 0.880937 Ga\n0.119063 0.880937 0.880937 Ga\n0.119063 0.119063 0.119063 Ga\n0.464801 0.190977 0.809023 Ga\n0.190977 0.190977 0.535199 Ga\n0.190977 0.464801 0.809023 Ga\n0.464801 0.809023 0.190977 Ga\n0.190977 0.809023 0.464801 Ga\n0.190977 0.535199 0.190977 Ga\n0.535199 0.190977 0.190977 Ga\n0.809023 0.190977 0.464801 Ga\n0.809023 0.464801 0.190977 Ga\n0.535199 0.809023 0.809023 Ga\n0.809023 0.809023 0.535199 Ga\n0.809023 0.535199 0.809023 Ga\n0.171629 0.171629 0.828371 Cu\n0.171629 0.828371 0.171629 Cu\n0.828371 0.171629 0.171629 Cu\n0.828371 0.828371 0.828371 Cu\n0.394912 0.394912 0.605088 Cu\n0.394912 0.605088 0.394912 Cu\n0.605088 0.394912 0.394912 Cu\n0.605088 0.605088 0.605088 Cu\n0.673570 0.673570 0.326430 Cu\n0.673570 0.326430 0.673570 Cu\n0.326430 0.673570 0.673570 Cu\n0.326430 0.326430 0.326430 Cu\n0.000000 0.000000 0.356303 Cu\n0.000000 0.643697 0.000000 Cu\n0.643697 0.000000 0.000000 Cu\n0.000000 0.000000 0.643697 Cu\n0.000000 0.356303 0.000000 Cu\n0.356303 0.000000 0.000000 Cu\n0.500000 0.500000 0.856640 Cu\n0.500000 0.143360 0.500000 Cu\n0.143360 0.500000 0.500000 Cu\n0.500000 0.500000 0.143360 Cu\n0.500000 0.856640 0.500000 Cu\n0.856640 0.500000 0.500000 Cu\n0.966932 0.685391 0.314609 Cu\n0.685391 0.685391 0.033068 Cu\n0.685391 0.966932 0.314609 Cu\n0.966932 0.314609 0.685391 Cu\n0.685391 0.314609 0.966932 Cu\n0.685391 0.033068 0.685391 Cu\n0.033068 0.685391 0.685391 Cu\n0.314609 0.685391 0.966932 Cu\n0.314609 0.966932 0.685391 Cu\n0.033068 0.314609 0.314609 Cu\n0.314609 0.314609 0.033068 Cu\n0.314609 0.033068 0.314609 Cu\n",
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{
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"created_at": "2022-09-04T14:42:42.274061Z",
"structure_string": "Ba6 Ta8 Nb2 O30\n1.0\n12.782843 0.000000 0.000000\n0.000000 12.782843 0.000000\n0.000000 0.000000 4.024914\nBa Ta Nb O\n6 8 2 30\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.169270 0.669270 0.000000 Ba\n0.830730 0.330730 0.000000 Ba\n0.669270 0.830730 0.000000 Ba\n0.330730 0.169270 0.000000 Ba\n0.075364 0.213627 0.500000 Ta\n0.924636 0.786373 0.500000 Ta\n0.575364 0.286373 0.500000 Ta\n0.424636 0.713627 0.500000 Ta\n0.786373 0.075364 0.500000 Ta\n0.213627 0.924636 0.500000 Ta\n0.713627 0.575364 0.500000 Ta\n0.286373 0.424636 0.500000 Ta\n0.000000 0.500000 0.500000 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.281738 0.781738 0.500000 O\n0.718262 0.218262 0.500000 O\n0.781738 0.718262 0.500000 O\n0.218262 0.281738 0.500000 O\n0.077128 0.208971 0.000000 O\n0.922872 0.791029 0.000000 O\n0.577128 0.291029 0.000000 O\n0.422872 0.708971 0.000000 O\n0.791029 0.077128 0.000000 O\n0.208971 0.922872 0.000000 O\n0.708971 0.577128 0.000000 O\n0.291029 0.422872 0.000000 O\n0.341596 0.007659 0.500000 O\n0.658404 0.992341 0.500000 O\n0.841596 0.492341 0.500000 O\n0.158404 0.507659 0.500000 O\n0.992341 0.341596 0.500000 O\n0.007659 0.658404 0.500000 O\n0.507659 0.841596 0.500000 O\n0.492341 0.158404 0.500000 O\n0.140039 0.068197 0.500000 O\n0.859961 0.931803 0.500000 O\n0.640039 0.431803 0.500000 O\n0.359961 0.568197 0.500000 O\n0.931803 0.140039 0.500000 O\n0.068197 0.859961 0.500000 O\n0.568197 0.640039 0.500000 O\n0.431803 0.359961 0.500000 O\n",
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{
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{
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{
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},
{
"id": "mp-1096209",
"created_at": "2022-09-04T14:42:50.222399Z",
"structure_string": "Li1 Be2 Pt1\n1.0\n-8.024506 0.000000 -4.632951\n-8.047267 -0.026004 4.672373\n-5.344999 7.617162 -0.008092\nLi Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.723002 0.000000 0.000000 Be\n0.276998 0.000000 0.000000 Be\n0.500000 0.000000 0.000000 Pt\n",
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"elements": [
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"Be",
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],
"chemical_system": "Be-Li-Pt",
"density": 0.6408020717307161,
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"volume": 570.2237580405883,
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"formula_full": "Li1 Be2 Pt1",
"formula_reduced": "LiBe2Pt",
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},
{
"id": "mp-18582",
"created_at": "2022-09-04T14:42:42.285236Z",
"structure_string": "Rb4 Ti2 Si12 O30\n1.0\n3.746335 6.472901 0.000000\n-3.746335 6.472901 0.000000\n0.000000 4.055789 14.834525\nRb Ti Si O\n4 2 12 30\ndirect\n0.413541 0.141981 0.689113 Rb\n0.141981 0.413541 0.189113 Rb\n0.634434 0.881866 0.021045 Rb\n0.881866 0.634434 0.521045 Rb\n0.781960 0.302370 0.096451 Ti\n0.302370 0.781960 0.596451 Ti\n0.547515 0.416675 0.458368 Si\n0.416675 0.547515 0.958368 Si\n0.640201 0.995831 0.256160 Si\n0.995831 0.640201 0.756160 Si\n0.360190 0.149734 0.445002 Si\n0.149734 0.360190 0.945002 Si\n0.528669 0.640903 0.254132 Si\n0.640903 0.528669 0.754132 Si\n0.077040 0.016504 0.934572 Si\n0.016504 0.077040 0.434572 Si\n0.066417 0.926092 0.247128 Si\n0.926092 0.066417 0.747128 Si\n0.956862 0.433897 0.024289 O\n0.433897 0.956862 0.524289 O\n0.703810 0.487865 0.185474 O\n0.487865 0.703810 0.685474 O\n0.030686 0.089754 0.156406 O\n0.089754 0.030686 0.656406 O\n0.543821 0.511732 0.037151 O\n0.511732 0.543821 0.537151 O\n0.765466 0.196783 0.466155 O\n0.196783 0.765466 0.966155 O\n0.616356 0.173620 0.171031 O\n0.173620 0.616356 0.671031 O\n0.886775 0.845292 0.272884 O\n0.845292 0.886775 0.772884 O\n0.360382 0.352071 0.470732 O\n0.352071 0.360382 0.970732 O\n0.506732 0.096934 0.348053 O\n0.096934 0.506732 0.848053 O\n0.865815 0.123859 0.002013 O\n0.123859 0.865815 0.502013 O\n0.709191 0.289375 0.739879 O\n0.289375 0.709191 0.239879 O\n0.545830 0.563630 0.858773 O\n0.563630 0.545830 0.358773 O\n0.034930 0.056602 0.830265 O\n0.056602 0.034930 0.330265 O\n0.115705 0.235041 0.430641 O\n0.235041 0.115705 0.930641 O\n0.856825 0.548436 0.733185 O\n0.548436 0.856825 0.233185 O\n",
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"elements": [
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"O"
],
"chemical_system": "O-Rb-Si-Ti",
"density": 2.895674456127449,
"density_atomic": 0.06671631068812167,
"volume": 719.4642435248751,
"volume_molar": 9.026489471445242,
"formula_full": "Rb4 Ti2 Si12 O30",
"formula_reduced": "Rb2Ti(Si2O5)3",
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"updated_at": "2021-11-28T01:35:58.794000Z",
"spacegroup": 9
}
]
}