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{
"id": "mp-23615",
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"structure_string": "Si4 Bi28 Ir2 I24\n1.0\n10.575871 0.000000 0.000000\n0.000000 10.575871 0.000000\n0.000000 0.000000 20.743887\nSi Bi Ir I\n4 28 2 24\ndirect\n0.500000 0.500000 0.908136 Si\n0.500000 0.500000 0.591864 Si\n0.500000 0.500000 0.091864 Si\n0.500000 0.500000 0.408136 Si\n0.304460 0.415348 0.819380 Bi\n0.695540 0.584652 0.819380 Bi\n0.415348 0.304460 0.680620 Bi\n0.415348 0.695540 0.819380 Bi\n0.584652 0.304460 0.819380 Bi\n0.695540 0.415348 0.680620 Bi\n0.304460 0.584652 0.680620 Bi\n0.584652 0.695540 0.680620 Bi\n0.695540 0.584652 0.180620 Bi\n0.304460 0.415348 0.180620 Bi\n0.584652 0.695540 0.319380 Bi\n0.584652 0.304460 0.180620 Bi\n0.415348 0.695540 0.180620 Bi\n0.304460 0.584652 0.319380 Bi\n0.695540 0.415348 0.319380 Bi\n0.415348 0.304460 0.319380 Bi\n0.000000 0.000000 0.629712 Bi\n0.000000 0.000000 0.870288 Bi\n0.000000 0.000000 0.370288 Bi\n0.000000 0.000000 0.129712 Bi\n0.940746 0.750958 0.500000 Bi\n0.059254 0.249042 0.500000 Bi\n0.750958 0.940746 0.000000 Bi\n0.750958 0.059254 0.500000 Bi\n0.249042 0.940746 0.500000 Bi\n0.059254 0.750958 0.000000 Bi\n0.940746 0.249042 0.000000 Bi\n0.249042 0.059254 0.000000 Bi\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n0.215392 0.630383 0.500000 I\n0.784608 0.369617 0.500000 I\n0.630383 0.215392 0.000000 I\n0.630383 0.784608 0.500000 I\n0.369617 0.215392 0.500000 I\n0.784608 0.630383 0.000000 I\n0.215392 0.369617 0.000000 I\n0.369617 0.784608 0.000000 I\n0.070211 0.295630 0.652821 I\n0.929789 0.704370 0.652821 I\n0.295630 0.070211 0.847179 I\n0.295630 0.929789 0.652821 I\n0.704370 0.070211 0.652821 I\n0.929789 0.295630 0.847179 I\n0.070211 0.704370 0.847179 I\n0.704370 0.929789 0.847179 I\n0.929789 0.704370 0.347179 I\n0.070211 0.295630 0.347179 I\n0.704370 0.929789 0.152821 I\n0.704370 0.070211 0.347179 I\n0.295630 0.929789 0.347179 I\n0.070211 0.704370 0.152821 I\n0.929789 0.295630 0.152821 I\n0.295630 0.070211 0.152821 I\n",
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"formula_full": "Si4 Bi28 Ir2 I24",
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"spacegroup": 124
},
{
"id": "mp-21834",
"created_at": "2022-09-04T14:41:05.639927Z",
"structure_string": "Nd12 Fe26 Sn2\n1.0\n-4.033952 4.033952 11.751523\n4.033952 -4.033952 11.751523\n4.033952 4.033952 -11.751523\nNd Fe Sn\n12 26 2\ndirect\n0.479523 0.651300 0.500000 Nd\n0.395651 0.395651 0.000000 Nd\n0.895651 0.895651 0.000000 Nd\n0.604349 0.604349 0.000000 Nd\n0.520477 0.348700 0.500000 Nd\n0.104349 0.104349 0.000000 Nd\n0.151300 0.979523 0.500000 Nd\n0.979523 0.479523 0.828223 Nd\n0.651300 0.151300 0.171777 Nd\n0.348700 0.848700 0.828223 Nd\n0.020477 0.520477 0.171777 Nd\n0.848700 0.020477 0.500000 Nd\n0.206438 0.479887 0.500000 Fe\n0.020113 0.293562 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.433606 0.709571 0.143177 Fe\n0.209571 0.933606 0.143177 Fe\n0.790429 0.066394 0.856823 Fe\n0.066394 0.209571 0.275966 Fe\n0.933606 0.790429 0.724034 Fe\n0.709571 0.566394 0.275966 Fe\n0.290429 0.433606 0.724034 Fe\n0.566394 0.290429 0.856823 Fe\n0.737275 0.879462 0.500000 Fe\n0.793562 0.520113 0.500000 Fe\n0.237275 0.737275 0.857813 Fe\n0.762725 0.262725 0.142187 Fe\n0.120538 0.620538 0.857813 Fe\n0.262725 0.120538 0.500000 Fe\n0.620538 0.762725 0.500000 Fe\n0.379462 0.237275 0.500000 Fe\n0.879462 0.379462 0.142187 Fe\n0.479887 0.979887 0.273450 Fe\n0.706438 0.206438 0.726550 Fe\n0.293562 0.793562 0.273450 Fe\n0.520113 0.020113 0.726550 Fe\n0.979887 0.706438 0.500000 Fe\n0.750000 0.750000 0.000000 Sn\n0.250000 0.250000 0.000000 Sn\n",
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"formula_full": "Nd12 Fe26 Sn2",
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{
"id": "mp-5154",
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"structure_string": "Ho1 Ni1 C2\n1.0\n2.255879 -2.995044 0.000000\n2.255879 2.995044 0.000000\n0.000000 0.000000 3.565415\nHo Ni C\n1 1 2\ndirect\n0.998674 0.001326 0.000000 Ho\n0.387363 0.612637 0.500000 Ni\n0.546696 0.148734 0.500000 C\n0.851266 0.453304 0.500000 C\n",
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"formula_full": "Ho1 Ni1 C2",
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"spacegroup": 38
},
{
"id": "mp-22335",
"created_at": "2022-09-04T14:41:07.126441Z",
"structure_string": "Gd1 B2 Ru3\n1.0\n2.765459 -4.789915 0.000000\n2.765459 4.789915 0.000000\n0.000000 0.000000 3.032661\nGd B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
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},
{
"id": "mp-1106089",
"created_at": "2022-09-04T14:41:05.566553Z",
"structure_string": "Ba4 In2 Ga2 O10\n1.0\n-3.006480 3.105030 7.892908\n3.006480 -3.105030 7.892908\n3.006480 3.105030 -7.892908\nBa In Ga O\n4 2 2 10\ndirect\n0.387530 0.899738 0.524886 Ba\n0.612470 0.137356 0.512209 Ba\n0.125148 0.637356 0.524886 Ba\n0.874852 0.399738 0.512209 Ba\n0.500000 0.516443 0.016443 In\n0.000000 0.016443 0.016443 In\n0.184769 0.261850 0.946619 Ga\n0.815231 0.761850 0.077081 Ga\n0.760529 0.276459 0.015678 O\n0.239471 0.255148 0.515930 O\n0.239218 0.755148 0.015678 O\n0.760782 0.776459 0.515930 O\n0.423846 0.364956 0.081288 O\n0.576154 0.657441 0.941109 O\n0.216332 0.157441 0.081288 O\n0.783668 0.864956 0.941109 O\n0.990195 0.503207 0.993402 O\n0.009805 0.003207 0.513012 O\n",
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{
"id": "mp-570266",
"created_at": "2022-09-04T14:41:05.639490Z",
"structure_string": "Sm52 Ga12 Co22\n1.0\n11.656641 0.000000 0.000000\n0.000000 11.656641 0.000000\n0.000000 0.000000 15.240401\nSm Ga Co\n52 12 22\ndirect\n0.920420 0.794987 0.311262 Sm\n0.205013 0.920420 0.311262 Sm\n0.657597 0.157597 0.000000 Sm\n0.927628 0.201086 0.884896 Sm\n0.342403 0.842403 0.000000 Sm\n0.572372 0.701086 0.884896 Sm\n0.579580 0.294987 0.688738 Sm\n0.427628 0.298914 0.884896 Sm\n0.296035 0.583718 0.500000 Sm\n0.416282 0.296035 0.500000 Sm\n0.205013 0.920420 0.688738 Sm\n0.583718 0.703965 0.500000 Sm\n0.500000 0.000000 0.157055 Sm\n0.420420 0.705013 0.311262 Sm\n0.500000 0.000000 0.842945 Sm\n0.000000 0.500000 0.383944 Sm\n0.083718 0.796035 0.500000 Sm\n0.794987 0.079580 0.311262 Sm\n0.294987 0.420420 0.688738 Sm\n0.842403 0.657597 0.000000 Sm\n0.079580 0.205013 0.688738 Sm\n0.000000 0.500000 0.157055 Sm\n0.701086 0.427628 0.115104 Sm\n0.000000 0.500000 0.616056 Sm\n0.072372 0.798914 0.115104 Sm\n0.916282 0.203965 0.500000 Sm\n0.705013 0.579580 0.311262 Sm\n0.427628 0.298914 0.115104 Sm\n0.201086 0.072372 0.115104 Sm\n0.705013 0.579580 0.688738 Sm\n0.927628 0.201086 0.115104 Sm\n0.796035 0.916282 0.500000 Sm\n0.579580 0.294987 0.311262 Sm\n0.201086 0.072372 0.884896 Sm\n0.703965 0.416282 0.500000 Sm\n0.072372 0.798914 0.884896 Sm\n0.000000 0.500000 0.842945 Sm\n0.798914 0.927628 0.884896 Sm\n0.572372 0.701086 0.115104 Sm\n0.500000 0.000000 0.383944 Sm\n0.298914 0.572372 0.115104 Sm\n0.079580 0.205013 0.311262 Sm\n0.294987 0.420420 0.311262 Sm\n0.794987 0.079580 0.688738 Sm\n0.920420 0.794987 0.688738 Sm\n0.701086 0.427628 0.884896 Sm\n0.157597 0.342403 0.000000 Sm\n0.203965 0.083718 0.500000 Sm\n0.500000 0.000000 0.616056 Sm\n0.420420 0.705013 0.688738 Sm\n0.298914 0.572372 0.884896 Sm\n0.798914 0.927628 0.115104 Sm\n0.837563 0.337563 0.290707 Ga\n0.151646 0.348354 0.500000 Ga\n0.337563 0.162437 0.290707 Ga\n0.162437 0.662437 0.290707 Ga\n0.162437 0.662437 0.709293 Ga\n0.337563 0.162437 0.709293 Ga\n0.348354 0.848354 0.500000 Ga\n0.651646 0.151646 0.500000 Ga\n0.662437 0.837563 0.709293 Ga\n0.662437 0.837563 0.290707 Ga\n0.848354 0.651646 0.500000 Ga\n0.837563 0.337563 0.709293 Ga\n0.094368 0.594368 0.000000 Co\n0.806454 0.693546 0.179408 Co\n0.594368 0.905632 0.000000 Co\n0.500000 0.500000 0.589443 Co\n0.500000 0.500000 0.225820 Co\n0.000000 0.000000 0.589443 Co\n0.000000 0.000000 0.410557 Co\n0.000000 0.000000 0.225820 Co\n0.500000 0.500000 0.410557 Co\n0.500000 0.500000 0.774180 Co\n0.693546 0.193546 0.820592 Co\n0.693546 0.193546 0.179408 Co\n0.405632 0.094368 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.193546 0.306454 0.820592 Co\n0.000000 0.000000 0.774180 Co\n0.905632 0.405632 0.000000 Co\n0.193546 0.306454 0.179408 Co\n0.500000 0.500000 0.000000 Co\n0.306454 0.806454 0.820592 Co\n0.806454 0.693546 0.820592 Co\n0.306454 0.806454 0.179408 Co\n",
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"formula_full": "Sm52 Ga12 Co22",
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{
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"created_at": "2022-09-04T14:41:04.450471Z",
"structure_string": "Sr3 P6 Ir6\n1.0\n3.391843 -5.874844 0.000000\n3.391843 5.874844 0.000000\n0.000000 0.000000 7.149407\nSr P Ir\n3 6 6\ndirect\n0.000000 0.601263 0.833333 Sr\n0.398737 0.398737 0.500000 Sr\n0.601263 0.000000 0.166667 Sr\n0.877207 0.216282 0.542488 P\n0.216282 0.877207 0.457512 P\n0.122793 0.339075 0.124178 P\n0.783718 0.660925 0.209155 P\n0.339075 0.122793 0.875822 P\n0.660925 0.783718 0.790845 P\n0.870265 0.870265 0.500000 Ir\n0.129735 0.000000 0.166667 Ir\n0.490023 0.490023 0.000000 Ir\n0.000000 0.509977 0.333333 Ir\n0.509977 0.000000 0.666667 Ir\n0.000000 0.129735 0.833333 Ir\n",
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{
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{
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