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{
"id": "mp-1222581",
"created_at": "2022-09-04T14:40:18.719835Z",
"structure_string": "Li1 Co4 O5\n1.0\n-3.356466 3.356466 2.095063\n3.356466 -3.356466 2.095063\n3.356466 3.356466 -2.095063\nLi Co O\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Li\n0.598538 0.203589 0.802127 Co\n0.203589 0.401462 0.605051 Co\n0.796411 0.598538 0.394949 Co\n0.401462 0.796411 0.197873 Co\n0.691575 0.892372 0.583948 O\n0.308425 0.107628 0.416052 O\n0.892372 0.308425 0.200797 O\n0.500000 0.500000 0.000000 O\n0.107628 0.691575 0.799203 O\n",
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{
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"formula_full": "Li4 Ti3 Cr3 Sb2 O16",
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{
"id": "mp-1226082",
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"structure_string": "Cu6 Ni2 C4 O20\n1.0\n8.959364 0.000000 0.000000\n0.000000 3.032802 0.000000\n0.000000 1.386098 12.278426\nCu Ni C O\n6 2 4 20\ndirect\n0.498268 0.983975 0.033397 Cu\n0.998268 0.016025 0.966603 Cu\n0.498821 0.520835 0.464951 Cu\n0.998821 0.479165 0.535049 Cu\n0.268036 0.547838 0.867482 Cu\n0.768036 0.452162 0.132518 Cu\n0.733189 0.962400 0.630821 Ni\n0.233189 0.037600 0.369179 Ni\n0.224753 0.266304 0.121836 C\n0.724753 0.733696 0.878164 C\n0.775020 0.239132 0.382816 C\n0.275020 0.760868 0.617184 C\n0.152714 0.365342 0.028188 O\n0.652714 0.634658 0.971812 O\n0.843131 0.127678 0.478035 O\n0.343131 0.872322 0.521965 O\n0.157016 0.137378 0.207831 O\n0.657016 0.862622 0.792169 O\n0.847931 0.361936 0.298918 O\n0.347931 0.638064 0.701082 O\n0.370019 0.331181 0.116776 O\n0.870019 0.668819 0.883224 O\n0.629476 0.188948 0.382972 O\n0.129476 0.811052 0.617028 O\n0.135445 0.053396 0.846930 O\n0.635445 0.946604 0.153070 O\n0.868977 0.449988 0.654897 O\n0.368977 0.550012 0.345103 O\n0.391819 0.035673 0.903196 O\n0.891819 0.964327 0.096804 O\n0.605385 0.475171 0.593416 O\n0.105385 0.524829 0.406584 O\n",
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"formula_full": "Cu6 Ni2 C4 O20",
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{
"id": "mp-4796",
"created_at": "2022-09-04T14:40:18.687044Z",
"structure_string": "Gd2 Sc2 Ge2\n1.0\n-2.132301 2.132301 7.864996\n2.132301 -2.132301 7.864996\n2.132301 2.132301 -7.864996\nGd Sc Ge\n2 2 2\ndirect\n0.677246 0.677246 0.000000 Gd\n0.322754 0.322754 0.000000 Gd\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.125812 0.125812 0.000000 Ge\n0.874188 0.874188 0.000000 Ge\n",
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"spacegroup": 139
},
{
"id": "mp-1226021",
"created_at": "2022-09-04T14:40:18.678141Z",
"structure_string": "Co2 Ni2 Ge2\n1.0\n2.005127 -3.472982 0.000000\n2.005127 3.472982 0.000000\n0.000000 0.000000 5.032543\nCo Ni Ge\n2 2 2\ndirect\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.250000 Ge\n0.666667 0.333333 0.750000 Ge\n",
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{
"id": "mp-1204528",
"created_at": "2022-09-04T14:40:18.633977Z",
"structure_string": "Th20 Sn16\n1.0\n-8.313845 0.000000 0.000000\n0.000000 0.000000 -8.443762\n0.000000 -15.849088 0.000000\nTh Sn\n20 16\ndirect\n0.372161 0.837551 0.877941 Th\n0.872161 0.662449 0.622059 Th\n0.627839 0.162449 0.377941 Th\n0.127839 0.337551 0.122059 Th\n0.627839 0.162449 0.122059 Th\n0.127839 0.337551 0.377941 Th\n0.372161 0.837551 0.622059 Th\n0.872161 0.662449 0.877941 Th\n0.519250 0.320440 0.900804 Th\n0.019250 0.179560 0.599196 Th\n0.480750 0.679560 0.400804 Th\n0.980750 0.820440 0.099196 Th\n0.480750 0.679560 0.099196 Th\n0.980750 0.820440 0.400804 Th\n0.519250 0.320440 0.599196 Th\n0.019250 0.179560 0.900804 Th\n0.192105 0.498215 0.750000 Th\n0.692105 0.001785 0.750000 Th\n0.807895 0.501785 0.250000 Th\n0.307895 0.998215 0.250000 Th\n0.288389 0.032908 0.042710 Sn\n0.788389 0.467092 0.457290 Sn\n0.711611 0.967092 0.542710 Sn\n0.211611 0.532908 0.957290 Sn\n0.711611 0.967092 0.957290 Sn\n0.211611 0.532908 0.542710 Sn\n0.288389 0.032908 0.457290 Sn\n0.788389 0.467092 0.042710 Sn\n0.565819 0.611514 0.750000 Sn\n0.065819 0.888486 0.750000 Sn\n0.434181 0.388486 0.250000 Sn\n0.934181 0.111514 0.250000 Sn\n0.322233 0.140304 0.750000 Sn\n0.822233 0.359696 0.750000 Sn\n0.677767 0.859696 0.250000 Sn\n0.177767 0.640304 0.250000 Sn\n",
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{
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"structure_string": "Li10 Co3 Ni7 O20\n1.0\n2.815074 0.000000 0.000000\n-1.405467 11.413821 0.000000\n-0.021033 -4.466639 10.596673\nLi Co Ni O\n10 3 7 20\ndirect\n0.302176 0.598805 0.349962 Li\n0.301062 0.603535 0.853058 Li\n0.101279 0.203298 0.953109 Li\n0.104767 0.198199 0.445430 Li\n0.494917 0.997479 0.745006 Li\n0.505083 0.002521 0.254994 Li\n0.697824 0.401195 0.650038 Li\n0.698938 0.396465 0.146942 Li\n0.898721 0.796702 0.046891 Li\n0.895233 0.801801 0.554570 Li\n0.103358 0.198970 0.198810 Co\n0.500000 0.000000 0.500000 Co\n0.896642 0.801030 0.801190 Co\n0.095391 0.193756 0.698786 Ni\n0.301836 0.601028 0.102223 Ni\n0.302781 0.605444 0.600064 Ni\n0.697219 0.394556 0.399936 Ni\n0.500000 0.000000 0.000000 Ni\n0.698164 0.398972 0.897777 Ni\n0.904609 0.806244 0.301214 Ni\n0.195659 0.404090 0.517993 O\n0.020171 0.017850 0.120994 O\n0.395859 0.802059 0.915593 O\n0.200922 0.381217 0.278506 O\n0.198879 0.399950 0.785277 O\n0.999296 0.003364 0.388396 O\n0.000704 0.996636 0.611604 O\n0.407721 0.818335 0.418283 O\n0.201461 0.400433 0.010047 O\n0.979829 0.982150 0.879006 O\n0.599274 0.199423 0.812775 O\n0.799078 0.618783 0.721494 O\n0.606960 0.200206 0.312324 O\n0.592279 0.181665 0.581717 O\n0.400726 0.800577 0.187225 O\n0.804341 0.595910 0.482007 O\n0.798539 0.599567 0.989953 O\n0.801121 0.600050 0.214723 O\n0.393040 0.799794 0.687676 O\n0.604141 0.197941 0.084407 O\n",
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{
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"structure_string": "Y12 Co5 Bi1\n1.0\n-4.763736 4.772284 4.980599\n4.763736 -4.772284 4.980599\n4.763736 4.772284 -4.980599\nY Co Bi\n12 5 1\ndirect\n0.288708 0.182860 0.471568 Y\n0.711292 0.817140 0.528432 Y\n0.288708 0.817140 0.105849 Y\n0.711292 0.182860 0.894151 Y\n0.621015 0.311616 0.309399 Y\n0.378985 0.688384 0.690601 Y\n0.002217 0.311616 0.690601 Y\n0.997783 0.688384 0.309399 Y\n0.206900 0.402049 0.195149 Y\n0.793100 0.597951 0.804851 Y\n0.206900 0.011751 0.804851 Y\n0.793100 0.988249 0.195149 Y\n0.000000 0.379247 0.379247 Co\n0.000000 0.620753 0.620753 Co\n0.390237 0.890237 0.500000 Co\n0.609763 0.109763 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Bi\n",
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{
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"density_atomic": 0.08028082856563593,
"volume": 1295.4524991601422,
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"formula_full": "Ti39 O65",
"formula_reduced": "Ti3O5",
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"updated_at": "2021-11-28T01:34:53.599000Z",
"spacegroup": 1
},
{
"id": "mp-1247116",
"created_at": "2022-09-04T14:40:18.666698Z",
"structure_string": "In16 Te12 N8\n1.0\n6.904716 0.000000 -0.000000\n0.000000 12.241314 0.000000\n0.000000 0.000000 11.617224\nIn Te N\n16 12 8\ndirect\n0.740883 0.250000 0.946829 In\n0.240883 0.250000 0.553171 In\n0.259117 0.750000 0.053171 In\n0.759117 0.750000 0.446829 In\n0.876192 0.250000 0.389722 In\n0.376192 0.250000 0.110278 In\n0.123808 0.750000 0.610278 In\n0.623808 0.750000 0.889722 In\n0.635411 0.523736 0.106369 In\n0.135411 0.976264 0.393631 In\n0.364589 0.023736 0.893631 In\n0.864589 0.476264 0.606369 In\n0.364589 0.476264 0.893631 In\n0.864589 0.023736 0.606369 In\n0.635411 0.976264 0.106369 In\n0.135411 0.523736 0.393631 In\n0.982215 0.250000 0.152468 Te\n0.482215 0.250000 0.347532 Te\n0.017785 0.750000 0.847532 Te\n0.517785 0.750000 0.652468 Te\n0.543498 0.557653 0.346296 Te\n0.043498 0.942347 0.153704 Te\n0.456502 0.057653 0.653704 Te\n0.956502 0.442347 0.846296 Te\n0.456502 0.442347 0.653704 Te\n0.956502 0.057653 0.846296 Te\n0.543498 0.942347 0.346296 Te\n0.043498 0.557653 0.153704 Te\n0.470975 0.624172 0.984240 N\n0.970975 0.875828 0.515760 N\n0.529025 0.124172 0.015760 N\n0.029025 0.375828 0.484240 N\n0.529025 0.375828 0.015760 N\n0.029025 0.124172 0.484240 N\n0.470975 0.875828 0.984240 N\n0.970975 0.624172 0.515760 N\n",
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{
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{
"id": "mp-867343",
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"structure_string": "Li3 Cd1\n1.0\n0.000000 3.339959 3.339959\n3.339959 0.000000 3.339959\n3.339959 3.339959 0.000000\nLi Cd\n3 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Cd\n",
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}