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{
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{
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"structure_string": "Bi16 P12 O54\n1.0\n7.581983 0.000000 0.000000\n2.887668 8.171270 0.000000\n1.390669 2.490016 22.536315\nBi P O\n16 12 54\ndirect\n0.494064 0.030891 0.289817 Bi\n0.227480 0.355858 0.569850 Bi\n0.730562 0.641086 0.812285 Bi\n0.336062 0.945837 0.999034 Bi\n0.281580 0.453791 0.402041 Bi\n0.974006 0.228285 0.339559 Bi\n0.079771 0.687067 0.678516 Bi\n0.633009 0.565151 0.656739 Bi\n0.683268 0.117150 0.008263 Bi\n0.223804 0.396817 0.203981 Bi\n0.879536 0.775149 0.513429 Bi\n0.600175 0.066388 0.851232 Bi\n0.151160 0.343201 0.054217 Bi\n0.769609 0.648229 0.386486 Bi\n0.429894 0.946602 0.712573 Bi\n0.779010 0.238691 0.169411 Bi\n0.689991 0.535387 0.261154 P\n0.400030 0.889388 0.552524 P\n0.045916 0.243432 0.924188 P\n0.640112 0.562339 0.041725 P\n0.211757 0.828003 0.367642 P\n0.940081 0.181594 0.693170 P\n0.014161 0.824568 0.261101 P\n0.755430 0.134923 0.617840 P\n0.461981 0.529038 0.962814 P\n0.025898 0.846421 0.125327 P\n0.575953 0.083411 0.410697 P\n0.295179 0.409459 0.736623 P\n0.830678 0.971717 0.109343 O\n0.413448 0.194299 0.447864 O\n0.136482 0.524504 0.774058 O\n0.519737 0.180424 0.210870 O\n0.778860 0.413924 0.075463 O\n0.221054 0.506715 0.492060 O\n0.407735 0.704002 0.373994 O\n0.230546 0.239828 0.290024 O\n0.620751 0.732253 0.052957 O\n0.808532 0.840395 0.833007 O\n0.103686 0.036553 0.714585 O\n0.508231 0.487909 0.235245 O\n0.021524 0.563541 0.602156 O\n0.197646 0.995802 0.384655 O\n0.536089 0.480374 0.170005 O\n0.272425 0.763695 0.567114 O\n0.605482 0.979466 0.950733 O\n0.902417 0.346574 0.713664 O\n0.171349 0.866549 0.294926 O\n0.319501 0.810723 0.500821 O\n0.891627 0.134099 0.922672 O\n0.933656 0.206258 0.617706 O\n0.436947 0.533675 0.037842 O\n0.811107 0.185723 0.862314 O\n0.052777 0.892290 0.195441 O\n0.674923 0.536399 0.970006 O\n0.064331 0.750062 0.394455 O\n0.185821 0.889195 0.092154 O\n0.843058 0.056312 0.480563 O\n0.755097 0.124550 0.692347 O\n0.046617 0.642071 0.271610 O\n0.400757 0.128114 0.047427 O\n0.767218 0.129573 0.420762 O\n0.589418 0.391317 0.800298 O\n0.819039 0.963255 0.601619 O\n0.019615 0.410624 0.386996 O\n0.493445 0.450357 0.742091 O\n0.827906 0.938780 0.283832 O\n0.114411 0.261274 0.143837 O\n0.470622 0.358006 0.951103 O\n0.741690 0.701450 0.710167 O\n0.037221 0.667833 0.130275 O\n0.579667 0.266982 0.595268 O\n0.806322 0.584683 0.475992 O\n0.624432 0.901294 0.438111 O\n0.338108 0.681239 0.930660 O\n0.459196 0.833892 0.798389 O\n0.338991 0.224274 0.753333 O\n0.862789 0.382217 0.236354 O\n0.678880 0.458087 0.329216 O\n0.604880 0.776733 0.569856 O\n0.363277 0.750819 0.673456 O\n0.239777 0.115755 0.909415 O\n0.046154 0.196471 0.999615 O\n",
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"formula_full": "Bi16 P12 O54",
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"spacegroup": 1
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{
"id": "mp-35746",
"created_at": "2022-09-04T14:42:12.341498Z",
"structure_string": "Sr2 Y4 S8\n1.0\n-4.274029 4.274029 4.263064\n4.274029 -4.274029 4.263064\n4.274029 4.274029 -4.263064\nSr Y S\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Sr\n0.750000 0.250000 0.500000 Sr\n0.625000 0.995187 0.870187 Y\n0.004813 0.875000 0.629813 Y\n0.125000 0.754813 0.129813 Y\n0.245187 0.375000 0.370187 Y\n0.239084 0.638102 0.746079 S\n0.888102 0.989084 0.246079 S\n0.506995 0.760916 0.399018 S\n0.892023 0.493005 0.253921 S\n0.743005 0.642023 0.753921 S\n0.357977 0.111898 0.100982 S\n0.010916 0.256995 0.899018 S\n0.361898 0.107977 0.600982 S\n",
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"elements": [
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"formula_full": "Sr2 Y4 S8",
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"spacegroup": 122
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{
"id": "mp-1185447",
"created_at": "2022-09-04T14:42:12.346556Z",
"structure_string": "Li1 Yb1 Pd2\n1.0\n0.000000 3.266243 3.266243\n3.266243 0.000000 3.266243\n3.266243 3.266243 0.000000\nLi Yb Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Yb\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.499999 Pd\n",
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"density": 9.359837799454887,
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"formula_full": "Li1 Yb1 Pd2",
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},
{
"id": "mp-8752",
"created_at": "2022-09-04T14:42:12.394624Z",
"structure_string": "Na4 Cd1 P2\n1.0\n8.723792 -2.517732 0.000000\n8.723792 2.517732 0.000000\n7.997162 0.000000 4.299875\nNa Cd P\n4 1 2\ndirect\n0.793090 0.793090 0.793090 Na\n0.593105 0.593106 0.593106 Na\n0.206910 0.206910 0.206910 Na\n0.406894 0.406895 0.406895 Na\n0.000000 0.000000 0.000000 Cd\n0.093902 0.093902 0.093902 P\n0.906098 0.906098 0.906098 P\n",
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"elements": [
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{
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"structure_string": "Zr4 Ga6\n1.0\n0.000000 4.758364 6.924787\n2.779256 0.000000 6.924787\n2.779256 4.758364 0.000000\nZr Ga\n4 6\ndirect\n0.394223 0.001193 0.467215 Zr\n0.137368 0.467215 0.001193 Zr\n0.782785 0.112632 0.855777 Zr\n0.248807 0.855777 0.112632 Zr\n0.646681 0.853319 0.853319 Ga\n0.396681 0.603319 0.603319 Ga\n0.820511 0.409315 0.038957 Ga\n0.731217 0.038957 0.409315 Ga\n0.211043 0.518783 0.429489 Ga\n0.840685 0.429489 0.518783 Ga\n",
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"volume": 183.15662327881543,
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"formula_full": "Zr4 Ga6",
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{
"id": "mp-653925",
"created_at": "2022-09-04T14:42:12.358599Z",
"structure_string": "Sr4 Dy2 Ga2 Cu4 O14\n1.0\n-2.707473 2.759181 11.584558\n2.707473 -2.759181 11.584558\n2.707473 2.759181 -11.584558\nSr Dy Ga Cu O\n4 2 2 4 14\ndirect\n0.333570 0.851077 0.486966 Sr\n0.864110 0.351077 0.517507 Sr\n0.135890 0.653396 0.486966 Sr\n0.666430 0.153396 0.517507 Sr\n0.000000 0.499722 0.499722 Dy\n0.500000 0.999722 0.499722 Dy\n0.681660 0.791099 0.972759 Ga\n0.318340 0.291099 0.109439 Ga\n0.072078 0.071115 0.000138 Cu\n0.429023 0.428060 0.000138 Cu\n0.927922 0.928060 0.999038 Cu\n0.570977 0.571115 0.999038 Cu\n0.812223 0.311357 0.001432 O\n0.868458 0.800279 0.021105 O\n0.314408 0.314620 0.499169 O\n0.633436 0.143021 0.276457 O\n0.685592 0.184761 0.000212 O\n0.190075 0.689209 0.001432 O\n0.809925 0.811357 0.499134 O\n0.366564 0.643021 0.509585 O\n0.684549 0.684761 0.499169 O\n0.720826 0.652648 0.021105 O\n0.279174 0.300279 0.931821 O\n0.315451 0.814620 0.000212 O\n0.131542 0.152648 0.931821 O\n0.187777 0.189209 0.499134 O\n",
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"formula_full": "Sr4 Dy2 Ga2 Cu4 O14",
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"spacegroup": 46
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{
"id": "mp-565692",
"created_at": "2022-09-04T14:42:12.397912Z",
"structure_string": "K6 Bi10 P12 O48\n1.0\n3.527776 8.919839 0.000000\n-3.527776 8.919839 0.000000\n0.000000 7.466576 17.360387\nK Bi P O\n6 10 12 48\ndirect\n0.686928 0.313072 0.250000 K\n0.313072 0.686928 0.750000 K\n0.521545 0.322873 0.069922 K\n0.322873 0.521545 0.569922 K\n0.478455 0.677127 0.930078 K\n0.677127 0.478455 0.430078 K\n0.236431 0.038044 0.528535 Bi\n0.166829 0.383991 0.295578 Bi\n0.383991 0.166829 0.795578 Bi\n0.833171 0.616009 0.704422 Bi\n0.038044 0.236431 0.028535 Bi\n0.763569 0.961956 0.471465 Bi\n0.961956 0.763569 0.971465 Bi\n0.852670 0.147330 0.750000 Bi\n0.147330 0.852670 0.250000 Bi\n0.616009 0.833171 0.204422 Bi\n0.846266 0.008769 0.618164 P\n0.681715 0.887261 0.348766 P\n0.112739 0.318285 0.151234 P\n0.543071 0.716697 0.091220 P\n0.887261 0.681715 0.848766 P\n0.318285 0.112739 0.651234 P\n0.991231 0.153734 0.881836 P\n0.456929 0.283303 0.908780 P\n0.716697 0.543071 0.591220 P\n0.008769 0.846266 0.118164 P\n0.153734 0.991231 0.381836 P\n0.283303 0.456929 0.408780 P\n0.133352 0.628953 0.457164 O\n0.628953 0.133352 0.957164 O\n0.950892 0.045833 0.118651 O\n0.296850 0.539938 0.317947 O\n0.692631 0.492891 0.075408 O\n0.460062 0.703150 0.182053 O\n0.213691 0.346886 0.415357 O\n0.864752 0.246561 0.957040 O\n0.867457 0.314142 0.813078 O\n0.314142 0.867457 0.313078 O\n0.418178 0.101784 0.565683 O\n0.923871 0.822734 0.838127 O\n0.674575 0.806957 0.826810 O\n0.798898 0.909382 0.129833 O\n0.307369 0.507109 0.924592 O\n0.954167 0.049108 0.381349 O\n0.177266 0.076129 0.661873 O\n0.581822 0.898216 0.434317 O\n0.135248 0.753439 0.042960 O\n0.822734 0.923871 0.338127 O\n0.090618 0.201102 0.370167 O\n0.949646 0.475950 0.209069 O\n0.492891 0.692631 0.575408 O\n0.539938 0.296850 0.817947 O\n0.806957 0.674575 0.326810 O\n0.045833 0.950892 0.618651 O\n0.685858 0.132543 0.686922 O\n0.076129 0.177266 0.161873 O\n0.325425 0.193043 0.173190 O\n0.524050 0.050354 0.290931 O\n0.653114 0.786309 0.084643 O\n0.346886 0.213691 0.915357 O\n0.101784 0.418178 0.065683 O\n0.050354 0.524050 0.790931 O\n0.246561 0.864752 0.457040 O\n0.703150 0.460062 0.682053 O\n0.371047 0.866648 0.042836 O\n0.909382 0.798898 0.629833 O\n0.507109 0.307369 0.424592 O\n0.753439 0.135248 0.542960 O\n0.866648 0.371047 0.542836 O\n0.201102 0.090618 0.870167 O\n0.049108 0.954167 0.881349 O\n0.898216 0.581822 0.934317 O\n0.193043 0.325425 0.673190 O\n0.475950 0.949646 0.709069 O\n0.132543 0.685858 0.186922 O\n0.786309 0.653114 0.584643 O\n",
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"formula_full": "K6 Bi10 P12 O48",
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{
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"structure_string": "Ti1 V1 Tc2\n1.0\n0.000000 3.065227 3.065227\n3.065227 0.000000 3.065227\n3.065227 3.065227 0.000000\nTi V Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n",
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