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{
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{
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},
{
"id": "mp-1209890",
"created_at": "2022-09-04T14:39:45.064824Z",
"structure_string": "Nd4 Al18 Ir6\n1.0\n3.845019 -6.583439 0.000000\n3.845019 6.583439 0.000000\n0.000000 0.000000 9.607222\nNd Al Ir\n4 18 6\ndirect\n0.995142 0.669300 0.250000 Nd\n0.004858 0.330700 0.750000 Nd\n0.669300 0.995142 0.250000 Nd\n0.330700 0.004858 0.750000 Nd\n0.128944 0.128944 0.250000 Al\n0.871056 0.871056 0.750000 Al\n0.003149 0.334860 0.072145 Al\n0.996851 0.665140 0.927855 Al\n0.996851 0.665140 0.572145 Al\n0.334860 0.003149 0.427855 Al\n0.003149 0.334860 0.427855 Al\n0.665140 0.996851 0.572145 Al\n0.665140 0.996851 0.927855 Al\n0.334860 0.003149 0.072145 Al\n0.334589 0.334589 0.550312 Al\n0.665411 0.665411 0.449688 Al\n0.665411 0.665411 0.050312 Al\n0.334589 0.334589 0.949688 Al\n0.337823 0.545106 0.250000 Al\n0.662177 0.454894 0.750000 Al\n0.545106 0.337823 0.250000 Al\n0.454894 0.662177 0.750000 Al\n0.670977 0.329023 0.000000 Ir\n0.329023 0.670977 0.000000 Ir\n0.329023 0.670977 0.500000 Ir\n0.670977 0.329023 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
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"elements": [
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{
"id": "mp-1174939",
"created_at": "2022-09-04T14:39:45.065957Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.864337 0.000000 0.000000\n1.450896 6.332808 0.000000\n2.859232 1.457921 5.722343\nLi Mn Co O\n7 2 3 12\ndirect\n0.583259 0.329931 0.168459 Li\n0.743544 0.010618 0.503826 Li\n0.928123 0.658926 0.830462 Li\n0.085889 0.335177 0.160943 Li\n0.248918 0.008580 0.499608 Li\n0.412736 0.659050 0.831015 Li\n0.332092 0.334666 0.669021 Li\n0.005787 0.001407 0.995974 Mn\n0.162337 0.667010 0.338020 Mn\n0.501320 0.002660 0.995365 Co\n0.657869 0.650749 0.345274 Co\n0.834571 0.331386 0.672781 Co\n0.891992 0.001927 0.760201 O\n0.040880 0.681997 0.094670 O\n0.191498 0.356411 0.416977 O\n0.359513 0.998880 0.781526 O\n0.511382 0.684401 0.101925 O\n0.712415 0.349859 0.415028 O\n0.289639 0.674566 0.559081 O\n0.482221 0.312822 0.908829 O\n0.645968 0.985744 0.220777 O\n0.810152 0.664566 0.568322 O\n0.957090 0.312389 0.918462 O\n0.110805 0.986278 0.243454 O\n",
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"formula_full": "Li7 Mn2 Co3 O12",
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"energy": -157.89448632,
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{
"id": "mp-1218592",
"created_at": "2022-09-04T14:39:45.106148Z",
"structure_string": "Sr6 In6 Ga4\n1.0\n2.460471 -5.900780 0.000000\n2.460471 5.900780 0.000000\n0.000000 0.000000 16.401599\nSr In Ga\n6 6 4\ndirect\n0.912107 0.087893 0.390706 Sr\n0.087893 0.912107 0.609294 Sr\n0.912107 0.087893 0.109294 Sr\n0.087893 0.912107 0.890706 Sr\n0.630352 0.369648 0.250000 Sr\n0.369648 0.630352 0.750000 Sr\n0.337953 0.662047 0.250000 In\n0.662047 0.337953 0.750000 In\n0.620702 0.379298 0.464981 In\n0.379298 0.620702 0.535019 In\n0.620702 0.379298 0.035019 In\n0.379298 0.620702 0.964981 In\n0.792499 0.207501 0.900349 Ga\n0.207501 0.792499 0.099651 Ga\n0.792499 0.207501 0.599651 Ga\n0.207501 0.792499 0.400349 Ga\n",
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"density": 5.207344152850725,
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"formula_full": "Sr6 In6 Ga4",
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{
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"created_at": "2022-09-04T14:39:45.069039Z",
"structure_string": "K8 Te8 O32\n1.0\n6.634751 0.000000 0.000000\n0.000000 7.758217 0.000000\n0.000000 4.062647 18.843091\nK Te O\n8 8 32\ndirect\n0.457581 0.504235 0.605965 K\n0.957581 0.495765 0.894035 K\n0.542419 0.495765 0.394035 K\n0.042419 0.504235 0.105965 K\n0.894257 0.163504 0.738606 K\n0.394257 0.836496 0.761394 K\n0.105743 0.836496 0.261394 K\n0.605743 0.163504 0.238606 K\n0.481977 0.967776 0.421192 Te\n0.981977 0.032224 0.078808 Te\n0.518023 0.032224 0.578808 Te\n0.018023 0.967776 0.921192 Te\n0.012859 0.683746 0.446767 Te\n0.512859 0.316254 0.053233 Te\n0.987141 0.316254 0.553233 Te\n0.487141 0.683746 0.946767 Te\n0.429412 0.180480 0.361231 O\n0.929412 0.819520 0.138769 O\n0.570588 0.819520 0.638769 O\n0.070588 0.180480 0.861231 O\n0.334538 0.922424 0.511561 O\n0.834538 0.077576 0.988439 O\n0.665462 0.077576 0.488439 O\n0.165462 0.922424 0.011561 O\n0.296209 0.812738 0.388180 O\n0.796209 0.187262 0.111820 O\n0.703791 0.187262 0.611820 O\n0.203791 0.812738 0.888180 O\n0.197924 0.492863 0.495161 O\n0.697924 0.507137 0.004839 O\n0.802076 0.507137 0.504839 O\n0.302076 0.492863 0.995161 O\n0.972699 0.599076 0.365120 O\n0.472699 0.400924 0.134880 O\n0.027301 0.400924 0.634880 O\n0.527301 0.599076 0.865120 O\n0.001823 0.761109 0.653769 O\n0.501823 0.238891 0.846231 O\n0.998177 0.238891 0.346231 O\n0.498177 0.761109 0.153769 O\n0.294764 0.134235 0.612664 O\n0.794764 0.865765 0.887336 O\n0.705236 0.865765 0.387336 O\n0.205236 0.134235 0.112664 O\n0.963672 0.690404 0.715858 O\n0.463672 0.309596 0.784142 O\n0.036328 0.309596 0.284142 O\n0.536328 0.690404 0.215858 O\n",
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{
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{
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"structure_string": "Sm4 Co3 B6\n1.0\n-2.657869 -4.603564 0.000000\n2.657869 -4.603564 0.000000\n0.000000 -3.069042 7.484839\nSm Co B\n4 3 6\ndirect\n0.255977 0.255977 0.232070 Sm\n0.744023 0.744023 0.767930 Sm\n0.410485 0.410485 0.768544 Sm\n0.589515 0.589515 0.231456 Sm\n0.000000 0.000000 0.000000 Co\n0.113683 0.113683 0.658951 Co\n0.886317 0.886317 0.341049 Co\n0.167525 0.832475 0.500000 B\n0.832475 0.500000 0.500000 B\n0.500000 0.167525 0.500000 B\n0.167525 0.500000 0.500000 B\n0.500000 0.832475 0.500000 B\n0.832475 0.167525 0.500000 B\n",
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{
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"structure_string": "Ce6 Se12\n1.0\n7.167158 -12.413883 0.000000\n7.167158 12.413883 0.000000\n0.000000 0.000000 5.809653\nCe Se\n6 12\ndirect\n0.000000 0.663717 0.271041 Ce\n0.663717 0.000000 0.271041 Ce\n0.336283 0.336283 0.271041 Ce\n0.000000 0.336283 0.728959 Ce\n0.336283 0.000000 0.728959 Ce\n0.663717 0.663717 0.728959 Ce\n0.000000 0.500000 0.500000 Se\n0.500000 0.000000 0.500000 Se\n0.500000 0.500000 0.500000 Se\n0.167352 0.832648 0.500000 Se\n0.665296 0.832648 0.500000 Se\n0.167352 0.334704 0.500000 Se\n0.832648 0.665296 0.500000 Se\n0.832648 0.167352 0.500000 Se\n0.334704 0.167352 0.500000 Se\n0.000000 0.500000 0.000000 Se\n0.500000 0.000000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n",
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{
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{
"id": "mp-764559",
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"structure_string": "Li4 Fe8 B8 O24\n1.0\n8.936498 0.000000 0.000000\n0.000000 5.283213 0.000000\n0.000000 0.210066 10.340196\nLi Fe B O\n4 8 8 24\ndirect\n0.990787 0.658324 0.836580 Li\n0.995321 0.343013 0.086147 Li\n0.009213 0.658324 0.336580 Li\n0.004679 0.343013 0.586147 Li\n0.821789 0.851284 0.118883 Fe\n0.824975 0.148371 0.369707 Fe\n0.658761 0.666820 0.866235 Fe\n0.663765 0.338765 0.625255 Fe\n0.341239 0.666820 0.366235 Fe\n0.178211 0.851284 0.618883 Fe\n0.336235 0.338765 0.125255 Fe\n0.175025 0.148371 0.869707 Fe\n0.832515 0.828285 0.631099 B\n0.674775 0.658507 0.377100 B\n0.834881 0.176855 0.869180 B\n0.670755 0.343530 0.115805 B\n0.325225 0.658507 0.877100 B\n0.329245 0.343530 0.615805 B\n0.167485 0.828285 0.131099 B\n0.165119 0.176855 0.369180 B\n0.965975 0.698135 0.633235 O\n0.826124 0.916074 0.896703 O\n0.966160 0.304065 0.890517 O\n0.803510 0.778584 0.328991 O\n0.701685 0.702871 0.669735 O\n0.801801 0.221465 0.158975 O\n0.826116 0.082446 0.593093 O\n0.689127 0.577890 0.053303 O\n0.539395 0.770538 0.363075 O\n0.693012 0.424233 0.438467 O\n0.709450 0.307301 0.823590 O\n0.460605 0.770538 0.863075 O\n0.534327 0.236220 0.135079 O\n0.298315 0.702871 0.169735 O\n0.310873 0.577890 0.553303 O\n0.465673 0.236220 0.635079 O\n0.306988 0.424233 0.938467 O\n0.173876 0.916074 0.396703 O\n0.196490 0.778584 0.828991 O\n0.290550 0.307301 0.323590 O\n0.198199 0.221465 0.658975 O\n0.034025 0.698135 0.133235 O\n0.173884 0.082446 0.093093 O\n0.033840 0.304065 0.390517 O\n",
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},
{
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"structure_string": "Sr2 Ca1 Ti6 N2 O11\n1.0\n-0.205286 3.919224 0.027841\n-7.651609 2.351681 0.159319\n-1.712509 0.167262 9.722643\nSr Ca Ti N O\n2 1 6 2 11\ndirect\n0.566771 0.939279 0.842041 Sr\n0.490467 0.168397 0.201782 Sr\n0.372046 0.888169 0.497413 Ca\n0.100752 0.784211 0.130791 Ti\n0.180194 0.582359 0.421560 Ti\n0.208286 0.537320 0.750598 Ti\n0.756202 0.518435 0.202538 Ti\n0.895638 0.285765 0.545643 Ti\n0.872295 0.277797 0.919055 Ti\n0.249964 0.517656 0.238453 N\n0.846406 0.356931 0.080029 N\n0.019096 0.860827 0.298190 O\n0.033332 0.719927 0.580713 O\n0.143045 0.685153 0.866636 O\n0.613369 0.768004 0.096084 O\n0.684176 0.577760 0.419897 O\n0.749183 0.469197 0.738668 O\n0.347360 0.352345 0.559567 O\n0.366716 0.281272 0.872201 O\n0.000746 0.195261 0.386582 O\n0.061640 0.068321 0.662243 O\n0.982976 0.025627 0.994012 O\n",
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}