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{
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{
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"structure_string": "Li8 Ti2 Co16 O36\n1.0\n2.848876 0.000000 0.000000\n0.000000 8.684954 0.000000\n0.000000 0.000000 24.261248\nLi Ti Co O\n8 2 16 36\ndirect\n0.000000 0.925884 0.001819 Li\n0.000000 0.958329 0.200687 Li\n0.000000 0.041671 0.700687 Li\n0.000000 0.074116 0.501819 Li\n0.000000 0.444289 0.521251 Li\n0.000000 0.443115 0.292620 Li\n0.000000 0.556885 0.792620 Li\n0.000000 0.555711 0.021251 Li\n0.000000 0.254791 0.396107 Ti\n0.000000 0.745209 0.896107 Ti\n0.000000 0.754624 0.501350 Co\n0.000000 0.764227 0.106887 Co\n0.000000 0.775800 0.308330 Co\n0.500000 0.891692 0.587594 Co\n0.500000 0.896536 0.804502 Co\n0.500000 0.103464 0.304502 Co\n0.500000 0.108308 0.087594 Co\n0.000000 0.224200 0.808330 Co\n0.000000 0.235773 0.606887 Co\n0.000000 0.245376 0.001350 Co\n0.000000 0.271171 0.185941 Co\n0.500000 0.382250 0.913943 Co\n0.500000 0.395745 0.691708 Co\n0.500000 0.604255 0.191708 Co\n0.500000 0.617750 0.413943 Co\n0.000000 0.728829 0.685941 Co\n0.000000 0.757416 0.422391 O\n0.000000 0.746738 0.579957 O\n0.500000 0.800566 0.942981 O\n0.500000 0.802114 0.160159 O\n0.500000 0.864490 0.664760 O\n0.000000 0.851149 0.757358 O\n0.500000 0.901274 0.508776 O\n0.500000 0.898574 0.278678 O\n0.000000 0.943798 0.853874 O\n0.000000 0.966769 0.088544 O\n0.000000 0.033231 0.588544 O\n0.000000 0.056202 0.353874 O\n0.500000 0.101426 0.778678 O\n0.500000 0.098726 0.008776 O\n0.000000 0.148851 0.257358 O\n0.500000 0.135510 0.164760 O\n0.500000 0.197886 0.660159 O\n0.500000 0.199434 0.442981 O\n0.000000 0.253262 0.079957 O\n0.000000 0.242584 0.922391 O\n0.500000 0.288114 0.558963 O\n0.500000 0.303638 0.336181 O\n0.500000 0.347914 0.837061 O\n0.000000 0.357634 0.740589 O\n0.500000 0.394940 0.991867 O\n0.500000 0.397706 0.212239 O\n0.000000 0.431298 0.641473 O\n0.000000 0.472966 0.411410 O\n0.000000 0.527034 0.911410 O\n0.000000 0.568702 0.141473 O\n0.500000 0.602294 0.712239 O\n0.500000 0.605060 0.491867 O\n0.000000 0.642366 0.240589 O\n0.500000 0.652086 0.337061 O\n0.500000 0.696362 0.836181 O\n0.500000 0.711886 0.058963 O\n",
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"formula_full": "Li8 Ti2 Co16 O36",
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{
"id": "mp-560476",
"created_at": "2022-09-04T14:41:07.175923Z",
"structure_string": "Rb12 Na4 Ti4 O16\n1.0\n6.500552 0.000000 0.000000\n0.000000 10.885388 0.000000\n0.000000 4.240500 10.165184\nRb Na Ti O\n12 4 4 16\ndirect\n0.654515 0.038084 0.330494 Rb\n0.123241 0.320228 0.605541 Rb\n0.384508 0.544234 0.310972 Rb\n0.115492 0.544234 0.810972 Rb\n0.845485 0.038084 0.830494 Rb\n0.615492 0.455766 0.689028 Rb\n0.876759 0.679772 0.394459 Rb\n0.154515 0.961916 0.169506 Rb\n0.623241 0.679772 0.894459 Rb\n0.376759 0.320228 0.105541 Rb\n0.345485 0.961916 0.669506 Rb\n0.884508 0.455766 0.189028 Rb\n0.611931 0.872070 0.108561 Na\n0.388069 0.127930 0.891439 Na\n0.888069 0.872070 0.608561 Na\n0.111931 0.127930 0.391439 Na\n0.364194 0.758676 0.485440 Ti\n0.635806 0.241324 0.514560 Ti\n0.864194 0.241324 0.014560 Ti\n0.135806 0.758676 0.985440 Ti\n0.978910 0.208207 0.177361 O\n0.478910 0.791793 0.322639 O\n0.250509 0.590884 0.045681 O\n0.161655 0.886959 0.461768 O\n0.749491 0.409116 0.954319 O\n0.427897 0.234223 0.401701 O\n0.661655 0.113041 0.038232 O\n0.021090 0.791793 0.822639 O\n0.750509 0.409116 0.454319 O\n0.072103 0.234223 0.901701 O\n0.338345 0.886959 0.961768 O\n0.838345 0.113041 0.538232 O\n0.572103 0.765777 0.598299 O\n0.249491 0.590884 0.545681 O\n0.521090 0.208207 0.677361 O\n0.927897 0.765777 0.098299 O\n",
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"formula_full": "Rb12 Na4 Ti4 O16",
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"formula_anonymous": "ABC3D4",
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"spacegroup": 14
},
{
"id": "mp-769631",
"created_at": "2022-09-04T14:41:07.686679Z",
"structure_string": "Li2 Mn3 Ni1 O8\n1.0\n-4.179225 4.179225 -0.057836\n4.179225 -0.057836 4.179225\n4.121391 4.121391 0.000000\nLi Mn Ni O\n2 3 1 8\ndirect\n0.119781 0.260439 0.119781 Li\n0.880219 0.739561 0.880219 Li\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Ni\n0.746490 0.463128 0.290382 O\n0.736983 0.026034 0.736983 O\n0.290382 0.007022 0.746490 O\n0.746490 0.463128 0.746490 O\n0.253510 0.536872 0.253510 O\n0.709618 0.992978 0.253510 O\n0.263017 0.973966 0.263017 O\n0.253510 0.536872 0.709618 O\n",
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"density": 4.244158415511988,
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"formula_full": "Li2 Mn3 Ni1 O8",
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{
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"created_at": "2022-09-04T14:41:02.269362Z",
"structure_string": "Ca1 Sm1 Ni4 O12\n1.0\n5.325058 0.000000 0.000000\n0.000000 5.325058 -0.000000\n-0.000000 0.000000 7.577369\nCa Sm Ni O\n1 1 4 12\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 -0.000000 0.500000 Sm\n0.000000 0.500000 0.751928 Ni\n-0.000000 0.500000 0.248072 Ni\n0.500000 -0.000000 0.751928 Ni\n0.500000 -0.000000 0.248072 Ni\n0.241348 0.241348 0.740250 O\n0.241348 0.241348 0.259750 O\n0.758652 0.758652 0.740250 O\n0.758652 0.758652 0.259750 O\n0.758652 0.241348 0.740250 O\n0.758652 0.241348 0.259750 O\n0.241348 0.758652 0.259750 O\n0.241348 0.758652 0.740250 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 -0.000000 0.000000 O\n",
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"formula_full": "Ca1 Sm1 Ni4 O12",
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{
"id": "mp-1220957",
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"structure_string": "Na2 Sb2 O4 F8\n1.0\n4.704753 2.749895 0.000000\n-4.704753 2.749895 0.000000\n0.000000 0.095690 9.870367\nNa Sb O F\n2 2 4 8\ndirect\n0.004008 0.988553 0.498365 Na\n0.988553 0.004008 0.998365 Na\n0.327759 0.651454 0.250172 Sb\n0.651454 0.327759 0.750172 Sb\n0.613815 0.984231 0.348772 O\n0.984231 0.613815 0.848772 O\n0.994248 0.376508 0.657203 O\n0.376508 0.994248 0.157203 O\n0.032259 0.649564 0.363555 F\n0.324164 0.364667 0.366277 F\n0.649564 0.032259 0.863555 F\n0.364667 0.324164 0.866277 F\n0.372971 0.047324 0.633202 F\n0.653515 0.618716 0.632607 F\n0.047324 0.372971 0.133202 F\n0.618716 0.653515 0.132607 F\n",
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{
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"structure_string": "Mg6 Zn1 Cd1 O8\n1.0\n8.676305 0.000000 0.000000\n0.000000 4.368121 0.000000\n0.000000 0.000000 4.368121\nMg Zn Cd O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255218 -0.000000 0.500000 Mg\n0.744782 0.000000 0.500000 Mg\n0.255218 0.500000 -0.000000 Mg\n0.744782 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n-0.000000 0.500000 0.500000 Cd\n0.252376 -0.000000 -0.000000 O\n0.747624 0.000000 0.000000 O\n0.266577 0.500000 0.500000 O\n0.733423 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Li4 V3 O1 F11\n1.0\n4.365730 2.376241 2.579049\n-4.905382 2.963437 2.903896\n0.239472 -5.489125 2.879300\nLi V O F\n4 3 1 11\ndirect\n0.144213 0.552195 0.337389 Li\n0.385170 0.640366 0.855054 Li\n0.616467 0.356847 0.128518 Li\n0.860869 0.460748 0.667172 Li\n0.701691 0.862718 0.380918 V\n0.008481 0.001147 0.024907 V\n0.300472 0.132054 0.604544 V\n0.056221 0.973353 0.326079 O\n0.065202 0.713560 0.891386 F\n0.428207 0.844508 0.585815 F\n0.659285 0.868903 0.047448 F\n0.166395 0.395306 0.582897 F\n0.428574 0.597072 0.201221 F\n0.577052 0.399217 0.792456 F\n0.833030 0.603304 0.423776 F\n0.336845 0.126769 0.943697 F\n0.568939 0.148264 0.405630 F\n0.941393 0.294426 0.104204 F\n0.921497 0.029241 0.696888 F\n",
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{
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{
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{
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"structure_string": "Cs2 Nd4 Cu2 Se8\n1.0\n2.135102 -7.488141 0.000000\n2.135102 7.488141 0.000000\n0.000000 0.000000 14.771488\nCs Nd Cu Se\n2 4 2 8\ndirect\n0.893872 0.106128 0.250000 Cs\n0.106128 0.893872 0.750000 Cs\n0.634475 0.365525 0.061634 Nd\n0.365525 0.634475 0.561634 Nd\n0.365525 0.634475 0.938366 Nd\n0.634475 0.365525 0.438366 Nd\n0.164371 0.835629 0.250000 Cu\n0.835629 0.164371 0.750000 Cu\n0.740348 0.259652 0.611037 Se\n0.259652 0.740348 0.111037 Se\n0.259652 0.740348 0.388963 Se\n0.740348 0.259652 0.888963 Se\n0.000000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n0.577213 0.422787 0.250000 Se\n0.422787 0.577213 0.750000 Se\n",
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}