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{
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{
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"created_at": "2022-09-04T14:40:02.266747Z",
"structure_string": "Si12 O24\n1.0\n7.593651 0.000000 0.000000\n0.000000 7.593651 0.000000\n0.000000 0.000000 8.777702\nSi O\n12 24\ndirect\n0.915645 0.084355 0.250000 Si\n0.380301 0.825816 0.995877 Si\n0.825816 0.380301 0.004123 Si\n0.119699 0.325816 0.754123 Si\n0.880301 0.674184 0.254123 Si\n0.584355 0.584355 0.500000 Si\n0.674184 0.880301 0.745877 Si\n0.415645 0.415645 0.000000 Si\n0.174184 0.619699 0.504123 Si\n0.325816 0.119699 0.245877 Si\n0.619699 0.174184 0.495877 Si\n0.084355 0.915645 0.750000 Si\n0.375945 0.943978 0.149584 O\n0.379762 0.615970 0.454070 O\n0.796304 0.137216 0.396236 O\n0.879762 0.884030 0.795930 O\n0.624055 0.056022 0.649584 O\n0.884030 0.879762 0.204070 O\n0.203696 0.862784 0.896236 O\n0.943978 0.375945 0.850416 O\n0.875945 0.556022 0.100416 O\n0.056022 0.624055 0.350416 O\n0.120238 0.115970 0.295930 O\n0.296304 0.362784 0.853764 O\n0.124055 0.443978 0.600416 O\n0.615970 0.379762 0.545930 O\n0.443978 0.124055 0.399584 O\n0.137216 0.796304 0.603764 O\n0.637216 0.703696 0.646236 O\n0.556022 0.875945 0.899584 O\n0.115970 0.120238 0.704070 O\n0.620238 0.384030 0.954070 O\n0.703696 0.637216 0.353764 O\n0.384030 0.620238 0.045930 O\n0.362784 0.296304 0.146236 O\n0.862784 0.203696 0.103764 O\n",
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{
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"nsites": 18,
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"elements": [
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"density": 4.118057790718037,
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"formula_full": "Sr2 Ca4 I12",
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{
"id": "mp-1094670",
"created_at": "2022-09-04T14:40:02.277928Z",
"structure_string": "Li1 Mg3\n1.0\n4.428682 0.000000 0.000000\n0.000000 4.428682 0.000000\n0.000000 0.000000 4.428682\nLi Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n",
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"formula_full": "Li1 Mg3",
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"spacegroup": 221
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{
"id": "mp-1190589",
"created_at": "2022-09-04T14:40:02.282242Z",
"structure_string": "Tm2 Mn12 P7\n1.0\n4.627974 -8.015886 0.000000\n4.627974 8.015886 0.000000\n0.000000 0.000000 3.581408\nTm Mn P\n2 12 7\ndirect\n0.000000 0.000000 0.000000 Tm\n0.666667 0.333333 0.500000 Tm\n0.710241 0.617751 0.000000 Mn\n0.382249 0.092490 0.000000 Mn\n0.907510 0.289759 0.000000 Mn\n0.213719 0.390051 0.000000 Mn\n0.609949 0.823668 0.000000 Mn\n0.176332 0.786281 0.000000 Mn\n0.288894 0.230005 0.500000 Mn\n0.769995 0.058888 0.500000 Mn\n0.941112 0.711106 0.500000 Mn\n0.458485 0.563768 0.500000 Mn\n0.436232 0.894718 0.500000 Mn\n0.105282 0.541515 0.500000 Mn\n0.454961 0.376218 0.000000 P\n0.623782 0.078743 0.000000 P\n0.921257 0.545039 0.000000 P\n0.052146 0.257336 0.500000 P\n0.742664 0.794811 0.500000 P\n0.205189 0.947854 0.500000 P\n0.333333 0.666667 0.000000 P\n",
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"elements": [
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"formula_full": "Tm2 Mn12 P7",
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"spacegroup": 174
},
{
"id": "mp-1048015",
"created_at": "2022-09-04T14:40:02.285786Z",
"structure_string": "Ca2 Fe8 O18\n1.0\n8.363575 0.000000 0.000000\n0.000000 8.363575 0.000000\n0.000000 0.000000 5.437640\nCa Fe O\n2 8 18\ndirect\n0.500000 0.000000 0.832457 Ca\n0.000000 0.500000 0.167543 Ca\n0.214490 0.908371 0.376404 Fe\n0.908371 0.785510 0.623596 Fe\n0.408371 0.285510 0.376404 Fe\n0.714490 0.408371 0.623596 Fe\n0.785510 0.091629 0.376404 Fe\n0.591629 0.714490 0.376404 Fe\n0.285510 0.591629 0.623596 Fe\n0.091629 0.214490 0.623596 Fe\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.076054 0.269512 0.943577 O\n0.230488 0.576054 0.943577 O\n0.769512 0.423946 0.943577 O\n0.923946 0.730488 0.943577 O\n0.423946 0.230488 0.056423 O\n0.269512 0.923946 0.056423 O\n0.730488 0.076054 0.056423 O\n0.576054 0.769512 0.056423 O\n0.706202 0.895469 0.535409 O\n0.604531 0.206202 0.535409 O\n0.395469 0.793798 0.535409 O\n0.293798 0.104531 0.535409 O\n0.206202 0.395469 0.464591 O\n0.895469 0.293798 0.464591 O\n0.104531 0.706202 0.464591 O\n0.793798 0.604531 0.464591 O\n",
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{
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{
"id": "mp-1207982",
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"structure_string": "Tm6 Si6 Ni2\n1.0\n2.067117 5.109626 0.000000\n-2.067117 5.109626 0.000000\n0.000000 4.699875 12.493494\nTm Si Ni\n6 6 2\ndirect\n0.471812 0.471812 0.380017 Tm\n0.528188 0.528188 0.619983 Tm\n0.602599 0.602599 0.078139 Tm\n0.397401 0.397401 0.921861 Tm\n0.256465 0.256465 0.227605 Tm\n0.743535 0.743535 0.772395 Tm\n0.957810 0.957810 0.235372 Si\n0.042190 0.042190 0.764628 Si\n0.886516 0.886516 0.076004 Si\n0.113484 0.113484 0.923996 Si\n0.863841 0.863841 0.543894 Si\n0.136159 0.136159 0.456106 Si\n0.755385 0.755385 0.403537 Ni\n0.244615 0.244615 0.596463 Ni\n",
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{
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"structure_string": "Dy16 Si8 S12 O28\n1.0\n-5.867549 5.867549 6.847083\n5.867549 -5.867549 6.847083\n5.867549 5.867549 -6.847083\nDy Si S O\n16 8 12 28\ndirect\n0.422198 0.922198 0.844395 Dy\n0.672198 0.327802 0.000000 Dy\n0.327802 0.672198 0.000000 Dy\n0.077802 0.577802 0.155605 Dy\n0.327802 0.327802 0.655605 Dy\n0.077802 0.922198 0.500000 Dy\n0.422198 0.577802 0.500000 Dy\n0.672198 0.672198 0.344395 Dy\n0.033384 0.797662 0.764278 Dy\n0.033384 0.269106 0.235722 Dy\n0.202338 0.966616 0.235722 Dy\n0.019106 0.283384 0.735722 Dy\n0.547662 0.283384 0.264278 Dy\n0.716616 0.980894 0.264278 Dy\n0.716616 0.452338 0.735722 Dy\n0.730894 0.966616 0.764278 Dy\n0.278952 0.404008 0.125055 Si\n0.278952 0.153897 0.874945 Si\n0.595992 0.721048 0.874945 Si\n0.903897 0.528952 0.374945 Si\n0.154008 0.528952 0.625055 Si\n0.471048 0.096103 0.625055 Si\n0.471048 0.845992 0.374945 Si\n0.846103 0.721048 0.125055 Si\n0.500000 0.500000 0.000000 S\n0.250000 0.750000 0.500000 S\n0.750000 0.250000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.875000 0.978733 0.603733 S\n0.728733 0.625000 0.603733 S\n0.021267 0.125000 0.396267 S\n0.375000 0.271267 0.396267 S\n0.875000 0.271267 0.896267 S\n0.021267 0.625000 0.896267 S\n0.728733 0.125000 0.103733 S\n0.375000 0.978733 0.103733 S\n0.774300 0.774300 0.000000 O\n0.524300 0.024300 0.500000 O\n0.975700 0.475700 0.500000 O\n0.225700 0.225700 0.000000 O\n0.200824 0.968267 0.767443 O\n0.200824 0.433382 0.232557 O\n0.031733 0.799176 0.232557 O\n0.183382 0.450824 0.732557 O\n0.718267 0.450824 0.267443 O\n0.549176 0.816618 0.267443 O\n0.549176 0.281733 0.732557 O\n0.566618 0.799176 0.767443 O\n0.293282 0.057935 0.517920 O\n0.540015 0.775362 0.482080 O\n0.942065 0.706718 0.482080 O\n0.525362 0.543282 0.735347 O\n0.807935 0.790015 0.264653 O\n0.456718 0.474638 0.264653 O\n0.209985 0.192065 0.735347 O\n0.224638 0.459985 0.517920 O\n0.456718 0.192065 0.982080 O\n0.209985 0.474638 0.017920 O\n0.807935 0.543282 0.017920 O\n0.224638 0.706718 0.764653 O\n0.942065 0.459985 0.235347 O\n0.293282 0.775362 0.235347 O\n0.540015 0.057935 0.764653 O\n0.525362 0.790015 0.982080 O\n",
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{
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"structure_string": "Cr4 Bi4 Te4 O24\n1.0\n-2.625219 -4.547709 0.000123\n-7.876863 4.548406 -0.000369\n-0.000236 0.000409 -10.041898\nCr Bi Te O\n4 4 4 24\ndirect\n0.500042 0.833347 0.750000 Cr\n0.499958 0.166653 0.250000 Cr\n0.000042 0.333347 0.750000 Cr\n0.999958 0.666653 0.250000 Cr\n0.000000 0.000000 0.500000 Bi\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.000000 Bi\n0.500097 0.166699 0.750000 Te\n0.000097 0.666699 0.750000 Te\n0.999903 0.333301 0.250000 Te\n0.499903 0.833301 0.250000 Te\n0.631455 0.004419 0.641717 O\n0.131455 0.504419 0.641717 O\n0.677736 0.313519 0.641739 O\n0.177736 0.813519 0.641739 O\n0.190927 0.182103 0.641734 O\n0.690927 0.682103 0.641734 O\n0.177645 0.186482 0.141717 O\n0.677645 0.686482 0.141717 O\n0.131382 0.495588 0.141734 O\n0.631382 0.995588 0.141734 O\n0.690854 0.317891 0.141739 O\n0.190854 0.817891 0.141739 O\n0.868545 0.495581 0.358283 O\n0.368545 0.995581 0.358283 O\n0.822264 0.186481 0.358261 O\n0.322264 0.686481 0.358261 O\n0.309073 0.317897 0.358266 O\n0.809073 0.817897 0.358266 O\n0.322355 0.313518 0.858283 O\n0.822355 0.813518 0.858283 O\n0.368618 0.004412 0.858266 O\n0.868618 0.504412 0.858266 O\n0.809146 0.182109 0.858261 O\n0.309146 0.682109 0.858261 O\n",
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{
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"structure_string": "In4 H4 O8\n1.0\n5.393512 0.000000 0.000000\n0.000000 5.393512 0.000000\n0.000000 0.000000 5.393512\nIn H O\n4 4 8\ndirect\n0.500000 0.500000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 H\n0.130042 0.869958 0.369958 O\n0.869958 0.369958 0.130042 O\n0.369958 0.130042 0.869958 O\n0.630042 0.630042 0.630042 O\n0.869958 0.130042 0.630042 O\n0.130042 0.630042 0.869958 O\n0.630042 0.869958 0.130042 O\n0.369958 0.369958 0.369958 O\n",
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"formula_full": "In4 H4 O8",
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}