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{
"id": "mp-1190441",
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{
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"structure_string": "Tl2 Te6 Pt4\n1.0\n4.034314 -6.987636 0.000000\n4.034314 6.987636 0.000000\n0.000000 0.000000 6.060653\nTl Te Pt\n2 6 4\ndirect\n0.666667 0.333333 0.688932 Tl\n0.333333 0.666667 0.311068 Tl\n0.830353 0.169647 0.220027 Te\n0.830353 0.660706 0.220027 Te\n0.339294 0.169647 0.220027 Te\n0.660706 0.830353 0.779973 Te\n0.169647 0.830353 0.779973 Te\n0.169647 0.339294 0.779973 Te\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 12,
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"density": 9.499054995930505,
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{
"id": "mp-1046377",
"created_at": "2022-09-04T14:44:51.805141Z",
"structure_string": "Zn8 Sn10 Te6 O36\n1.0\n4.660554 7.923383 0.000000\n-4.660554 7.923383 0.000000\n0.000000 0.148014 11.316641\nZn Sn Te O\n8 10 6 36\ndirect\n0.447240 0.147167 0.323337 Zn\n0.421225 0.523154 0.208367 Zn\n0.852833 0.552760 0.676663 Zn\n0.476846 0.578775 0.791633 Zn\n0.128501 0.818111 0.707235 Zn\n0.752789 0.840231 0.821995 Zn\n0.159769 0.247211 0.178005 Zn\n0.181889 0.871499 0.292765 Zn\n0.506012 0.197731 0.001127 Sn\n0.801886 0.902288 0.495836 Sn\n0.694956 0.637848 0.309187 Sn\n0.245399 0.080503 0.801138 Sn\n0.362152 0.305044 0.690813 Sn\n0.994720 0.005280 0.000000 Sn\n0.623305 0.376695 0.500000 Sn\n0.919497 0.754601 0.198862 Sn\n0.097712 0.198114 0.504164 Sn\n0.802269 0.493988 0.998873 Sn\n0.160707 0.537544 0.954785 Te\n0.803292 0.200165 0.241897 Te\n0.799835 0.196708 0.758103 Te\n0.145294 0.553803 0.457211 Te\n0.446197 0.854706 0.542789 Te\n0.462456 0.839293 0.045215 Te\n0.866691 0.587776 0.851581 O\n0.585853 0.296369 0.862203 O\n0.388035 0.460187 0.561184 O\n0.861146 0.304059 0.430117 O\n0.703631 0.414147 0.137797 O\n0.695941 0.138854 0.569883 O\n0.194635 0.643293 0.305185 O\n0.916583 0.943693 0.836186 O\n0.689182 0.447259 0.676385 O\n0.598759 0.928725 0.395072 O\n0.362742 0.454866 0.057022 O\n0.010491 0.453279 0.094645 O\n0.035459 0.095394 0.659468 O\n0.265385 0.299372 0.922136 O\n0.545134 0.637258 0.942978 O\n0.410296 0.748100 0.197011 O\n0.238402 0.939952 0.445876 O\n0.700628 0.734615 0.077864 O\n0.539813 0.611965 0.438816 O\n0.060048 0.761598 0.554124 O\n0.195530 0.258683 0.352716 O\n0.343589 0.096776 0.573167 O\n0.056307 0.083417 0.163814 O\n0.251900 0.589704 0.802989 O\n0.221329 0.926266 0.929213 O\n0.906556 0.244604 0.909130 O\n0.546721 0.989509 0.905355 O\n0.356707 0.805365 0.694815 O\n0.904606 0.964541 0.340532 O\n0.903224 0.656411 0.426833 O\n0.741317 0.804470 0.647284 O\n0.755396 0.093444 0.090870 O\n0.552741 0.310818 0.323615 O\n0.071275 0.401241 0.604928 O\n0.073734 0.778671 0.070787 O\n0.412224 0.133309 0.148419 O\n",
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"volume": 835.7872241594637,
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"formula_full": "Zn8 Sn10 Te6 O36",
"formula_reduced": "Zn4Sn5(TeO6)3",
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"spacegroup": 5
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{
"id": "mp-21264",
"created_at": "2022-09-04T14:44:53.249676Z",
"structure_string": "Os2 N4\n1.0\n2.701350 0.000000 0.000000\n0.000000 4.145828 0.000000\n0.000000 0.000000 4.953275\nOs N\n2 4\ndirect\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.500000 0.373410 0.904299 N\n0.500000 0.626590 0.095701 N\n0.000000 0.126590 0.404299 N\n0.000000 0.873410 0.595701 N\n",
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"elements": [
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"density": 13.06578881615226,
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"volume": 55.47337352944204,
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"formula_full": "Os2 N4",
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"formula_anonymous": "AB2",
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},
{
"id": "mp-1193493",
"created_at": "2022-09-04T14:44:53.380724Z",
"structure_string": "Sm4 Ga24 Pd2\n1.0\n6.069259 0.000000 0.000000\n0.000000 6.069259 0.000000\n0.000000 0.000000 15.702885\nSm Ga Pd\n4 24 2\ndirect\n0.500000 0.000000 0.250505 Sm\n0.000000 0.500000 0.250505 Sm\n0.000000 0.500000 0.749495 Sm\n0.500000 0.000000 0.749495 Sm\n0.000000 0.000000 0.187751 Ga\n0.500000 0.500000 0.187751 Ga\n0.500000 0.500000 0.812249 Ga\n0.000000 0.000000 0.812249 Ga\n0.000000 0.000000 0.343126 Ga\n0.500000 0.500000 0.343126 Ga\n0.500000 0.500000 0.656874 Ga\n0.000000 0.000000 0.656874 Ga\n0.250804 0.750804 0.910594 Ga\n0.750804 0.749196 0.910594 Ga\n0.249196 0.250804 0.910594 Ga\n0.749196 0.249196 0.910594 Ga\n0.249196 0.749196 0.089406 Ga\n0.749196 0.750804 0.089406 Ga\n0.250804 0.249196 0.089406 Ga\n0.750804 0.250804 0.089406 Ga\n0.328222 0.828222 0.429183 Ga\n0.828222 0.671778 0.429183 Ga\n0.171778 0.328222 0.429183 Ga\n0.671778 0.171778 0.429183 Ga\n0.171778 0.671778 0.570817 Ga\n0.671778 0.828222 0.570817 Ga\n0.328222 0.171778 0.570817 Ga\n0.828222 0.328222 0.570817 Ga\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n",
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"elements": [
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],
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},
{
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"created_at": "2022-09-04T14:44:50.949857Z",
"structure_string": "Re2 Pd1 N4 O8\n1.0\n3.760906 0.000000 0.000000\n-0.643664 7.094740 0.000000\n-1.804249 -3.086629 8.728314\nRe Pd N O\n2 1 4 8\ndirect\n0.422717 0.818837 0.179302 Re\n0.577283 0.181163 0.820698 Re\n0.500000 0.500000 0.500000 Pd\n0.384290 0.232150 0.328656 N\n0.615710 0.767850 0.671344 N\n0.472586 0.646799 0.350083 N\n0.527414 0.353201 0.649917 N\n0.393285 0.553093 0.202567 O\n0.606715 0.446907 0.797433 O\n0.435495 0.898676 0.647282 O\n0.564505 0.101324 0.352718 O\n0.671501 0.184501 0.007050 O\n0.328499 0.815499 0.992950 O\n0.942157 0.832950 0.212933 O\n0.057843 0.167050 0.787067 O\n",
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{
"id": "mp-1106129",
"created_at": "2022-09-04T14:44:53.105100Z",
"structure_string": "Bi4 Te2 Br2 O9\n1.0\n5.570488 0.000000 0.000000\n0.000000 5.570488 0.000000\n0.000000 0.000000 9.816977\nBi Te Br O\n4 2 2 9\ndirect\n0.000000 0.500000 0.546611 Bi\n0.500000 0.000000 0.546611 Bi\n0.000000 0.000000 0.797788 Bi\n0.500000 0.500000 0.809785 Bi\n0.500000 0.500000 0.252111 Te\n0.000000 0.000000 0.300787 Te\n0.500000 0.000000 0.984358 Br\n0.000000 0.500000 0.984358 Br\n0.743837 0.743837 0.682228 O\n0.256163 0.256163 0.682228 O\n0.743837 0.256163 0.682228 O\n0.256163 0.743837 0.682228 O\n0.730622 0.730622 0.342538 O\n0.269378 0.269378 0.342538 O\n0.730622 0.269378 0.342538 O\n0.269378 0.730622 0.342538 O\n0.000000 0.000000 0.491816 O\n",
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"formula_full": "Bi4 Te2 Br2 O9",
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{
"id": "mp-754625",
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"structure_string": "Sr4 Ta4 N4 O8\n1.0\n4.048093 5.774498 0.000000\n-4.048093 5.774498 0.000000\n0.000000 0.004665 5.807191\nSr Ta N O\n4 4 4 8\ndirect\n0.747437 0.252563 0.000000 Sr\n0.252563 0.747437 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.751571 0.751571 0.026850 Ta\n0.248429 0.248429 0.973150 Ta\n0.000000 0.000000 0.500000 Ta\n0.500000 0.500000 0.500000 Ta\n0.632739 0.632739 0.265457 N\n0.887093 0.887093 0.226802 N\n0.112907 0.112907 0.773198 N\n0.367261 0.367261 0.734543 N\n0.136820 0.136820 0.280940 O\n0.384320 0.384320 0.238155 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.615680 0.615680 0.761845 O\n0.863180 0.863180 0.719060 O\n0.249838 0.750162 0.500000 O\n0.750162 0.249838 0.500000 O\n",
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"formula_full": "Sr4 Ta4 N4 O8",
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{
"id": "mp-1182466",
"created_at": "2022-09-04T14:44:52.294135Z",
"structure_string": "Bi2 C16 N8 Cl14\n1.0\n8.574874 0.000000 0.000000\n0.000000 9.847693 0.000000\n0.000000 0.000000 16.145650\nBi C N Cl\n2 16 8 14\ndirect\n0.849863 0.000000 0.500000 Bi\n0.150137 0.500000 0.000000 Bi\n0.115322 0.313576 0.634939 C\n0.115322 0.686424 0.365061 C\n0.884678 0.813576 0.865061 C\n0.884678 0.186424 0.134939 C\n0.869812 0.411915 0.696256 C\n0.869812 0.588085 0.303744 C\n0.130188 0.911915 0.803744 C\n0.130188 0.088085 0.196256 C\n0.566499 0.186784 0.957485 C\n0.566499 0.813216 0.042515 C\n0.433501 0.686784 0.542515 C\n0.433501 0.313216 0.457485 C\n0.361633 0.225375 0.850544 C\n0.361633 0.774625 0.149456 C\n0.638367 0.725375 0.649456 C\n0.638367 0.274625 0.350544 C\n0.982186 0.350704 0.671171 N\n0.982186 0.649296 0.328829 N\n0.017814 0.850704 0.828829 N\n0.017814 0.149296 0.171171 N\n0.451128 0.201475 0.911668 N\n0.451128 0.798525 0.088332 N\n0.548872 0.701475 0.588332 N\n0.548872 0.298525 0.411668 N\n0.841975 0.776410 0.605836 Cl\n0.841975 0.223590 0.394164 Cl\n0.158025 0.276410 0.894164 Cl\n0.158025 0.723590 0.105836 Cl\n0.153899 0.143919 0.651348 Cl\n0.153899 0.856081 0.348652 Cl\n0.846101 0.643919 0.848652 Cl\n0.846101 0.356081 0.151348 Cl\n0.667637 0.893134 0.403030 Cl\n0.667637 0.106866 0.596970 Cl\n0.332363 0.393134 0.096970 Cl\n0.332363 0.606866 0.903030 Cl\n0.395857 0.500000 0.500000 Cl\n0.604143 0.000000 0.000000 Cl\n",
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{
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