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{
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{
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{
"id": "mp-1078760",
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"structure_string": "Dy3 Sn3 Pt3\n1.0\n3.771580 -6.532567 0.000000\n3.771580 6.532567 0.000000\n0.000000 0.000000 4.009660\nDy Sn Pt\n3 3 3\ndirect\n0.405841 0.405841 0.500000 Dy\n0.594159 0.000000 0.500000 Dy\n0.000000 0.594159 0.500000 Dy\n0.742178 0.742178 0.000000 Sn\n0.257822 0.000000 0.000000 Sn\n0.000000 0.257822 0.000000 Sn\n0.666667 0.333333 0.000000 Pt\n0.333333 0.666667 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n",
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"spacegroup": 189
},
{
"id": "mp-1190025",
"created_at": "2022-09-04T14:42:13.174331Z",
"structure_string": "Ba4 U2 S12\n1.0\n5.468498 0.000000 0.000000\n0.000000 5.468498 0.000000\n0.000000 0.000000 16.060860\nBa U S\n4 2 12\ndirect\n0.000000 0.000000 0.135601 Ba\n0.500000 0.500000 0.635601 Ba\n0.500000 0.500000 0.364399 Ba\n0.000000 0.000000 0.864399 Ba\n0.000000 0.000000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.309192 0.500000 0.163825 S\n0.690808 0.500000 0.163825 S\n0.000000 0.809192 0.663825 S\n0.000000 0.190808 0.663825 S\n0.190808 0.000000 0.336175 S\n0.809192 0.000000 0.336175 S\n0.500000 0.690808 0.836175 S\n0.500000 0.309192 0.836175 S\n0.000000 0.500000 0.979890 S\n0.000000 0.500000 0.479890 S\n0.500000 0.000000 0.520110 S\n0.500000 0.000000 0.020110 S\n",
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"volume": 480.2915120831477,
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"formula_full": "Ba4 U2 S12",
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},
{
"id": "mp-11765",
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"structure_string": "Ti5 Se4\n1.0\n-4.867081 4.867081 1.746196\n4.867081 -4.867081 1.746196\n4.867081 4.867081 -1.746196\nTi Se\n5 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.372493 0.306649 0.679142 Ti\n0.306649 0.627507 0.934156 Ti\n0.693351 0.372493 0.065844 Ti\n0.627507 0.693351 0.320858 Ti\n0.272115 0.057917 0.330032 Se\n0.057917 0.727885 0.785803 Se\n0.942083 0.272115 0.214197 Se\n0.727885 0.942083 0.669968 Se\n",
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{
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"created_at": "2022-09-04T14:42:13.195587Z",
"structure_string": "Cd2 C4 S4 N12 O12\n1.0\n12.565216 0.000000 0.000000\n0.000000 4.780209 0.000000\n0.000000 2.156326 12.412653\nCd C S N O\n2 4 4 12 12\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.882494 0.502994 0.302017 C\n0.117506 0.497006 0.697983 C\n0.382494 0.497006 0.197983 C\n0.617506 0.502994 0.802017 C\n0.583664 0.360524 0.278788 S\n0.416336 0.639476 0.721212 S\n0.083664 0.639476 0.221212 S\n0.916336 0.360524 0.778788 S\n0.971345 0.611104 0.272753 N\n0.028655 0.388896 0.727247 N\n0.471345 0.388896 0.227247 N\n0.528655 0.611104 0.772753 N\n0.796944 0.412502 0.331644 N\n0.203056 0.587498 0.668356 N\n0.296944 0.587498 0.168356 N\n0.703056 0.412502 0.831644 N\n0.788413 0.949216 0.034163 N\n0.211587 0.050784 0.965837 N\n0.288413 0.050784 0.465837 N\n0.711587 0.949216 0.534163 N\n0.663656 0.811388 0.467518 O\n0.336344 0.188612 0.532482 O\n0.163656 0.188612 0.032482 O\n0.836344 0.811388 0.967518 O\n0.350424 0.897974 0.414358 O\n0.649576 0.102026 0.585642 O\n0.850424 0.102026 0.085642 O\n0.149576 0.897974 0.914358 O\n0.692473 0.938392 0.048519 O\n0.307527 0.061608 0.951481 O\n0.192473 0.061608 0.451481 O\n0.807527 0.938392 0.548519 O\n",
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"formula_full": "Cd2 C4 S4 N12 O12",
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},
{
"id": "mp-557778",
"created_at": "2022-09-04T14:42:13.206863Z",
"structure_string": "Rb12 Nb12 Si12 O60\n1.0\n7.418742 0.000000 0.000000\n0.000000 10.465490 0.000000\n0.000000 0.000000 20.488428\nRb Nb Si O\n12 12 12 60\ndirect\n0.721042 0.617647 0.017896 Rb\n0.741091 0.616127 0.348028 Rb\n0.742503 0.686519 0.667438 Rb\n0.242503 0.813481 0.332562 Rb\n0.257497 0.186519 0.832562 Rb\n0.778958 0.382353 0.517896 Rb\n0.241091 0.883873 0.651972 Rb\n0.758909 0.383873 0.848028 Rb\n0.278958 0.117647 0.482104 Rb\n0.757497 0.313481 0.167438 Rb\n0.258909 0.116127 0.151972 Rb\n0.221042 0.882353 0.982104 Rb\n0.514299 0.266924 0.999512 Nb\n0.265312 0.480192 0.424349 Nb\n0.985701 0.733076 0.499512 Nb\n0.014299 0.233076 0.000488 Nb\n0.734688 0.980192 0.075651 Nb\n0.241293 0.484234 0.104013 Nb\n0.234688 0.519808 0.924349 Nb\n0.485701 0.766924 0.500488 Nb\n0.258707 0.515766 0.604013 Nb\n0.758706 0.984234 0.395987 Nb\n0.741294 0.015766 0.895987 Nb\n0.765312 0.019808 0.575651 Nb\n0.566189 0.268775 0.350261 Si\n0.022868 0.757214 0.149448 Si\n0.522868 0.742786 0.850552 Si\n0.765435 0.122568 0.729505 Si\n0.066189 0.231225 0.649739 Si\n0.234565 0.622568 0.770495 Si\n0.933811 0.731225 0.850261 Si\n0.265435 0.377432 0.270495 Si\n0.977132 0.257214 0.350552 Si\n0.734565 0.877432 0.229505 Si\n0.433811 0.768775 0.149739 Si\n0.477132 0.242786 0.649448 Si\n0.924275 0.877179 0.566873 O\n0.946804 0.122164 0.926959 O\n0.743795 0.996239 0.178599 O\n0.075725 0.377179 0.933127 O\n0.571561 0.143799 0.923181 O\n0.734204 0.934146 0.984916 O\n0.977031 0.144981 0.592065 O\n0.593531 0.222855 0.717904 O\n0.756205 0.003761 0.678599 O\n0.428439 0.643799 0.576819 O\n0.544107 0.894394 0.865456 O\n0.924677 0.831632 0.090030 O\n0.765206 0.315064 0.001045 O\n0.567719 0.119077 0.368445 O\n0.093531 0.277145 0.282096 O\n0.044053 0.704793 0.780948 O\n0.265796 0.434146 0.515084 O\n0.740492 0.909123 0.306422 O\n0.071561 0.356201 0.076819 O\n0.906469 0.777145 0.217904 O\n0.406469 0.722855 0.782096 O\n0.455893 0.394394 0.634544 O\n0.265206 0.184936 0.998955 O\n0.234204 0.565854 0.015084 O\n0.274911 0.179057 0.664372 O\n0.259508 0.409123 0.193578 O\n0.225089 0.820943 0.164372 O\n0.558457 0.898718 0.564265 O\n0.759508 0.090877 0.806422 O\n0.477031 0.355019 0.407935 O\n0.725089 0.679057 0.835628 O\n0.765796 0.065854 0.484916 O\n0.075323 0.331632 0.409970 O\n0.544053 0.795207 0.219052 O\n0.522969 0.855019 0.092065 O\n0.044107 0.605606 0.134544 O\n0.928439 0.856201 0.423181 O\n0.575323 0.168368 0.590030 O\n0.955893 0.105606 0.365456 O\n0.432281 0.619077 0.131555 O\n0.955947 0.204793 0.719052 O\n0.575725 0.122821 0.066873 O\n0.067719 0.380923 0.631555 O\n0.256205 0.496239 0.321401 O\n0.424677 0.668368 0.909970 O\n0.234794 0.815064 0.498955 O\n0.941543 0.101282 0.064265 O\n0.774911 0.320943 0.335628 O\n0.734794 0.684936 0.501045 O\n0.058457 0.601282 0.435735 O\n0.455947 0.295207 0.280948 O\n0.932281 0.880923 0.868445 O\n0.424275 0.622821 0.433127 O\n0.022969 0.644981 0.907935 O\n0.553196 0.877836 0.426959 O\n0.243795 0.503761 0.821401 O\n0.240492 0.590877 0.693578 O\n0.446804 0.377836 0.073041 O\n0.053196 0.622164 0.573041 O\n0.441543 0.398718 0.935735 O\n",
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"formula_full": "Rb12 Nb12 Si12 O60",
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"spacegroup": 19
},
{
"id": "mp-1201335",
"created_at": "2022-09-04T14:42:13.210296Z",
"structure_string": "La4 Nb8 Cu4 Br4 O28\n1.0\n7.902046 0.000000 0.000000\n0.000000 7.932390 0.000000\n0.000000 0.000000 11.784933\nLa Nb Cu Br O\n4 8 4 4 28\ndirect\n0.000023 0.236646 0.000000 La\n0.999977 0.763354 0.000000 La\n0.500023 0.263354 0.000000 La\n0.499977 0.736646 0.000000 La\n0.751721 0.500160 0.189107 Nb\n0.248279 0.499840 0.189107 Nb\n0.251721 0.999840 0.810893 Nb\n0.748279 0.000160 0.810893 Nb\n0.248279 0.499840 0.810893 Nb\n0.751721 0.500160 0.810893 Nb\n0.748279 0.000160 0.189107 Nb\n0.251721 0.999840 0.189107 Nb\n0.771718 0.494846 0.500000 Cu\n0.228282 0.505154 0.500000 Cu\n0.271718 0.005154 0.500000 Cu\n0.728282 0.994846 0.500000 Cu\n0.943933 0.229489 0.500000 Br\n0.056067 0.770511 0.500000 Br\n0.443933 0.270511 0.500000 Br\n0.556067 0.729489 0.500000 Br\n0.000000 0.500000 0.133553 O\n0.500000 0.000000 0.866447 O\n0.000000 0.500000 0.866447 O\n0.500000 0.000000 0.133553 O\n0.500000 0.500000 0.182379 O\n0.000000 0.000000 0.817621 O\n0.500000 0.500000 0.817621 O\n0.000000 0.000000 0.182379 O\n0.749842 0.250031 0.151379 O\n0.250158 0.749969 0.151379 O\n0.249842 0.249969 0.848621 O\n0.750158 0.750031 0.848621 O\n0.250158 0.749969 0.848621 O\n0.749842 0.250031 0.848621 O\n0.750158 0.750031 0.151379 O\n0.249842 0.249969 0.151379 O\n0.698634 0.499994 0.000000 O\n0.301366 0.500006 0.000000 O\n0.198634 0.000006 0.000000 O\n0.801366 0.999994 0.000000 O\n0.779429 0.499713 0.341371 O\n0.220571 0.500287 0.341371 O\n0.279429 0.000287 0.658629 O\n0.720571 0.999713 0.658629 O\n0.220571 0.500287 0.658629 O\n0.779429 0.499713 0.658629 O\n0.720571 0.999713 0.341371 O\n0.279429 0.000287 0.341371 O\n",
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"formula_full": "La4 Nb8 Cu4 Br4 O28",
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]
}