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{
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"results": [
{
"id": "mp-29907",
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"structure_string": "Te16 Pd36\n1.0\n14.188983 0.000000 0.000000\n0.000000 7.563216 0.000000\n0.000000 0.256732 9.034935\nTe Pd\n16 36\ndirect\n0.995961 0.246178 0.853026 Te\n0.495961 0.753822 0.646974 Te\n0.004039 0.753822 0.146974 Te\n0.504039 0.246178 0.353026 Te\n0.494978 0.296933 0.888337 Te\n0.994978 0.703067 0.611663 Te\n0.505022 0.703067 0.111663 Te\n0.005022 0.296933 0.388337 Te\n0.737395 0.047961 0.641800 Te\n0.237395 0.952039 0.858200 Te\n0.262605 0.952039 0.358200 Te\n0.762605 0.047961 0.141800 Te\n0.248237 0.461090 0.567774 Te\n0.748237 0.538910 0.932226 Te\n0.751763 0.538910 0.432226 Te\n0.251763 0.461090 0.067774 Te\n0.678185 0.206633 0.895057 Pd\n0.178185 0.793367 0.604943 Pd\n0.321815 0.793367 0.104943 Pd\n0.821815 0.206633 0.395057 Pd\n0.305935 0.276249 0.825656 Pd\n0.805935 0.723751 0.674344 Pd\n0.694065 0.723751 0.174344 Pd\n0.194065 0.276249 0.325656 Pd\n0.937542 0.039247 0.611795 Pd\n0.437542 0.960753 0.888205 Pd\n0.062458 0.960753 0.388205 Pd\n0.562458 0.039247 0.111795 Pd\n0.548025 0.110177 0.642965 Pd\n0.048025 0.889823 0.857035 Pd\n0.451975 0.889823 0.357035 Pd\n0.951975 0.110177 0.142965 Pd\n0.349479 0.016072 0.608215 Pd\n0.849479 0.983928 0.891785 Pd\n0.650521 0.983928 0.391785 Pd\n0.150521 0.016072 0.108215 Pd\n0.139873 0.169178 0.638818 Pd\n0.639873 0.830822 0.861182 Pd\n0.860127 0.830822 0.361182 Pd\n0.360127 0.169178 0.138818 Pd\n0.830118 0.344615 0.701660 Pd\n0.330118 0.655385 0.798340 Pd\n0.169882 0.655385 0.298340 Pd\n0.669882 0.344615 0.201660 Pd\n0.631917 0.499733 0.691885 Pd\n0.131917 0.500267 0.808115 Pd\n0.368083 0.500267 0.308115 Pd\n0.868083 0.499733 0.191885 Pd\n0.435357 0.414829 0.606300 Pd\n0.935357 0.585171 0.893700 Pd\n0.564643 0.585171 0.393700 Pd\n0.064643 0.414829 0.106300 Pd\n",
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"elements": [
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"volume": 969.5781158253674,
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},
{
"id": "mp-559721",
"created_at": "2022-09-04T14:42:12.730355Z",
"structure_string": "K4 B4 C4 F24\n1.0\n16.589579 0.000000 0.000000\n0.000000 4.914129 0.000000\n0.000000 1.337186 6.297772\nK B C F\n4 4 4 24\ndirect\n0.655163 0.180500 0.279920 K\n0.155163 0.819500 0.220080 K\n0.344837 0.819500 0.720080 K\n0.844837 0.180500 0.779920 K\n0.338916 0.285631 0.152467 B\n0.661084 0.714369 0.847533 B\n0.161084 0.285631 0.652467 B\n0.838916 0.714369 0.347533 B\n0.582273 0.614068 0.726551 C\n0.417727 0.385932 0.273449 C\n0.917727 0.614068 0.226551 C\n0.082273 0.385932 0.773449 C\n0.400102 0.413791 0.480149 F\n0.599898 0.586209 0.519851 F\n0.281692 0.506047 0.109682 F\n0.099898 0.413791 0.980149 F\n0.481222 0.199031 0.296955 F\n0.551014 0.363241 0.826896 F\n0.948986 0.363241 0.326896 F\n0.718308 0.493953 0.890318 F\n0.196107 0.047753 0.785270 F\n0.363552 0.224229 0.956289 F\n0.863552 0.775771 0.543711 F\n0.448986 0.636759 0.173104 F\n0.803893 0.952247 0.214730 F\n0.018778 0.199031 0.796955 F\n0.636448 0.775771 0.043711 F\n0.900102 0.586209 0.019851 F\n0.136448 0.224229 0.456289 F\n0.781692 0.493953 0.390318 F\n0.696107 0.952247 0.714730 F\n0.303893 0.047753 0.285270 F\n0.518778 0.800969 0.703045 F\n0.051014 0.636759 0.673104 F\n0.218308 0.506047 0.609682 F\n0.981222 0.800969 0.203045 F\n",
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"formula_full": "K4 B4 C4 F24",
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{
"id": "mp-1072399",
"created_at": "2022-09-04T14:42:12.740579Z",
"structure_string": "Be5 Pt1\n1.0\n0.000000 2.988622 2.988622\n2.988622 0.000000 2.988622\n2.988622 2.988622 0.000000\nBe Pt\n5 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.624483 0.624483 0.126551 Be\n0.624483 0.126551 0.624483 Be\n0.126551 0.624483 0.624483 Be\n0.624483 0.624483 0.624483 Be\n0.000000 0.000000 0.000000 Pt\n",
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"updated_at": "2021-11-28T01:35:36.411000Z",
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},
{
"id": "mp-1193319",
"created_at": "2022-09-04T14:42:12.841664Z",
"structure_string": "Rb12 Sb4 S12\n1.0\n10.014420 0.000000 0.000000\n0.000000 10.014420 0.000000\n0.000000 0.000000 10.014420\nRb Sb S\n12 4 12\ndirect\n0.441328 0.941328 0.558672 Rb\n0.941328 0.558672 0.441328 Rb\n0.558672 0.441328 0.941328 Rb\n0.058672 0.058672 0.058672 Rb\n0.937377 0.437377 0.062623 Rb\n0.437377 0.062623 0.937377 Rb\n0.062623 0.937377 0.437377 Rb\n0.562623 0.562623 0.562623 Rb\n0.678749 0.178749 0.321251 Rb\n0.178749 0.321251 0.678749 Rb\n0.321251 0.678749 0.178749 Rb\n0.821251 0.821251 0.821251 Rb\n0.224003 0.724003 0.775997 Sb\n0.724003 0.775997 0.224003 Sb\n0.775997 0.224003 0.724003 Sb\n0.275997 0.275997 0.275997 Sb\n0.154486 0.958458 0.755859 S\n0.244141 0.654486 0.541542 S\n0.458458 0.744141 0.845514 S\n0.654486 0.541542 0.244141 S\n0.744141 0.845514 0.458458 S\n0.958458 0.755859 0.154486 S\n0.845514 0.458458 0.744141 S\n0.755859 0.154486 0.958458 S\n0.541542 0.244141 0.654486 S\n0.345514 0.041542 0.255859 S\n0.255859 0.345514 0.041542 S\n0.041542 0.255859 0.345514 S\n",
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"elements": [
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"volume": 1004.3322410904427,
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"formula_full": "Rb12 Sb4 S12",
"formula_reduced": "Rb3SbS3",
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"energy": -110.99960087,
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"spacegroup": 198
},
{
"id": "mp-696056",
"created_at": "2022-09-04T14:42:12.842639Z",
"structure_string": "K4 H8 Pt2 C12 S12 N12 O4\n1.0\n11.322091 0.000000 0.000000\n0.000000 7.414152 0.000000\n0.000000 1.959602 11.297948\nK H Pt C S N O\n4 8 2 12 12 12 4\ndirect\n0.346857 0.893654 0.499993 K\n0.846857 0.606346 0.500007 K\n0.653143 0.106346 0.500007 K\n0.153143 0.393654 0.499993 K\n0.408771 0.377965 0.450428 H\n0.908771 0.122035 0.549572 H\n0.591229 0.622035 0.549572 H\n0.091229 0.877965 0.450428 H\n0.423346 0.300881 0.584263 H\n0.923346 0.199119 0.415737 H\n0.576654 0.699119 0.415737 H\n0.076654 0.800881 0.584263 H\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.324563 0.563769 0.766224 C\n0.824563 0.936231 0.233776 C\n0.675437 0.436231 0.233776 C\n0.175437 0.063769 0.766224 C\n0.406508 0.654637 0.238572 C\n0.906508 0.845363 0.761428 C\n0.593492 0.345363 0.761428 C\n0.093492 0.154637 0.238572 C\n0.440537 0.169055 0.220524 C\n0.940537 0.330945 0.779476 C\n0.559463 0.830945 0.779476 C\n0.059463 0.669055 0.220524 C\n0.320962 0.624486 0.898696 S\n0.820962 0.875514 0.101304 S\n0.679038 0.375514 0.101304 S\n0.179038 0.124486 0.898696 S\n0.479240 0.743746 0.117003 S\n0.979240 0.756254 0.882997 S\n0.520760 0.256254 0.882997 S\n0.020760 0.243746 0.117003 S\n0.361177 0.292398 0.114087 S\n0.861177 0.207602 0.885913 S\n0.638823 0.707602 0.885913 S\n0.138823 0.792398 0.114087 S\n0.320462 0.530042 0.669595 N\n0.820462 0.969958 0.330405 N\n0.679538 0.469958 0.330405 N\n0.179538 0.030042 0.669595 N\n0.356827 0.601396 0.328485 N\n0.856827 0.898604 0.671515 N\n0.643173 0.398604 0.671515 N\n0.143173 0.101396 0.328485 N\n0.490000 0.075174 0.299001 N\n0.990000 0.424826 0.700999 N\n0.510000 0.924826 0.700999 N\n0.010000 0.575174 0.299001 N\n0.413439 0.262978 0.507425 O\n0.913439 0.237022 0.492575 O\n0.586561 0.737022 0.492575 O\n0.086561 0.762978 0.507425 O\n",
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{
"id": "mp-622848",
"created_at": "2022-09-04T14:42:12.869518Z",
"structure_string": "Sm2 Ga9 Ru5\n1.0\n-3.109451 3.109451 6.831821\n3.109451 -3.109451 6.831821\n3.109451 3.109451 -6.831821\nSm Ga Ru\n2 9 5\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.441022 0.859247 0.000000 Ga\n0.140753 0.140753 0.581775 Ga\n0.859247 0.441022 0.000000 Ga\n0.859247 0.859247 0.418225 Ga\n0.558978 0.140753 0.000000 Ga\n0.140753 0.558978 0.000000 Ga\n0.558978 0.558978 0.418225 Ga\n0.000000 0.000000 0.000000 Ga\n0.441022 0.441022 0.581775 Ga\n0.178856 0.178856 0.000000 Ru\n0.821144 0.821144 0.000000 Ru\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n",
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{
"id": "mp-1226854",
"created_at": "2022-09-04T14:42:12.750326Z",
"structure_string": "Ce4 Sn1 O10\n1.0\n15.663981 -1.914758 0.000000\n15.663981 1.914758 0.000000\n15.429922 0.000000 3.308189\nCe Sn O\n4 1 10\ndirect\n0.602544 0.602544 0.602544 Ce\n0.200727 0.200727 0.200727 Ce\n0.799273 0.799273 0.799273 Ce\n0.397456 0.397456 0.397456 Ce\n0.000000 0.000000 0.000000 Sn\n0.046153 0.046153 0.046153 O\n0.850213 0.850213 0.850213 O\n0.448871 0.448871 0.448871 O\n0.652834 0.652834 0.652834 O\n0.252262 0.252262 0.252262 O\n0.347166 0.347166 0.347166 O\n0.149787 0.149787 0.149787 O\n0.747738 0.747738 0.747738 O\n0.953847 0.953847 0.953847 O\n0.551129 0.551129 0.551129 O\n",
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"elements": [
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"density": 7.022013542701732,
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"volume": 198.44325832850052,
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"formula_full": "Ce4 Sn1 O10",
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{
"id": "mp-707897",
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"structure_string": "Ca4 Al2 H22 C1 O20\n1.0\n5.788006 0.014107 0.744038\n0.849319 7.674777 3.612715\n0.019764 -0.022946 9.975349\nCa Al H C O\n4 2 22 1 20\ndirect\n0.520681 0.114565 0.807708 Ca\n0.480321 0.884044 0.195786 Ca\n0.015136 0.620140 0.314022 Ca\n0.978351 0.377037 0.696618 Ca\n0.002588 0.995139 0.001710 Al\n0.494635 0.502094 0.506507 Al\n0.177577 0.259183 0.988358 H\n0.831580 0.726529 0.021877 H\n0.320641 0.774131 0.970961 H\n0.692868 0.213299 0.040264 H\n0.341363 0.236381 0.512626 H\n0.656061 0.768503 0.495152 H\n0.810916 0.295896 0.453474 H\n0.169992 0.720778 0.538845 H\n0.983560 0.003190 0.252367 H\n0.020460 0.009330 0.738379 H\n0.511156 0.509152 0.246668 H\n0.475674 0.482201 0.771093 H\n0.696296 0.786392 0.739333 H\n0.442199 0.861639 0.688049 H\n0.289840 0.211833 0.270057 H\n0.558342 0.145246 0.312066 H\n0.059156 0.633341 0.813190 H\n0.862231 0.526736 0.924215 H\n0.488700 0.503070 0.998244 H\n0.224085 0.499142 0.040052 H\n0.983328 0.990757 0.521880 H\n0.246292 0.997265 0.472668 H\n0.882516 0.328546 0.198382 C\n0.152960 0.207996 0.921749 O\n0.850870 0.783998 0.084805 O\n0.309250 0.885614 0.979753 O\n0.695623 0.108540 0.022452 O\n0.348103 0.288399 0.581672 O\n0.642162 0.715905 0.427488 O\n0.801590 0.392208 0.483653 O\n0.187138 0.608912 0.530201 O\n0.070124 0.931454 0.203814 O\n0.930023 0.062936 0.800414 O\n0.424473 0.570859 0.303243 O\n0.567651 0.430518 0.708145 O\n0.594984 0.895762 0.686820 O\n0.401849 0.105080 0.314645 O\n0.904460 0.600995 0.815566 O\n0.338320 0.556634 0.954248 O\n0.135925 0.935529 0.559066 O\n0.754739 0.408908 0.085663 O\n0.078797 0.385400 0.197312 O\n0.816362 0.193692 0.311700 O\n",
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"formula_full": "Ca4 Al2 H22 C1 O20",
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{
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{
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"structure_string": "K8 Mo8 P8 O44\n1.0\n9.104469 0.000000 0.000000\n0.000000 9.447750 0.000000\n0.000000 0.000000 11.120852\nK Mo P O\n8 8 8 44\ndirect\n0.010509 0.702478 0.414590 K\n0.989491 0.297522 0.585410 K\n0.489491 0.202478 0.585410 K\n0.489491 0.797522 0.914590 K\n0.010509 0.297522 0.085410 K\n0.510509 0.797522 0.414590 K\n0.510509 0.202478 0.085410 K\n0.989491 0.702478 0.914590 K\n0.228433 0.077897 0.845965 Mo\n0.771567 0.077897 0.345965 Mo\n0.728433 0.422103 0.845965 Mo\n0.228433 0.922103 0.654035 Mo\n0.271567 0.422103 0.345965 Mo\n0.271567 0.577897 0.154035 Mo\n0.771567 0.922103 0.154035 Mo\n0.728433 0.577897 0.654035 Mo\n0.174067 0.070398 0.372477 P\n0.325933 0.570398 0.627523 P\n0.325933 0.429602 0.872477 P\n0.174067 0.929602 0.127523 P\n0.674067 0.570398 0.127523 P\n0.825933 0.070398 0.872477 P\n0.674067 0.429602 0.372477 P\n0.825933 0.929602 0.627523 P\n0.801954 0.128015 0.175537 O\n0.513016 0.391755 0.355803 O\n0.986984 0.891755 0.644197 O\n0.301954 0.628015 0.324463 O\n0.262680 0.500000 0.750000 O\n0.737320 0.500000 0.250000 O\n0.801954 0.871985 0.324463 O\n0.271947 0.199401 0.396586 O\n0.771947 0.300599 0.396586 O\n0.698312 0.451749 0.034710 O\n0.198046 0.128015 0.675537 O\n0.301688 0.451749 0.534710 O\n0.271947 0.800599 0.103414 O\n0.228053 0.699401 0.603414 O\n0.728053 0.800599 0.603414 O\n0.728053 0.199401 0.896586 O\n0.237320 0.000000 0.250000 O\n0.417608 0.078669 0.862734 O\n0.917608 0.578669 0.637266 O\n0.228053 0.300599 0.896586 O\n0.198312 0.048251 0.034710 O\n0.698046 0.371985 0.675537 O\n0.486984 0.391755 0.855803 O\n0.986984 0.108245 0.855803 O\n0.198312 0.951749 0.465290 O\n0.082392 0.421331 0.362734 O\n0.582392 0.921331 0.137266 O\n0.771947 0.699401 0.103414 O\n0.698312 0.548251 0.465290 O\n0.417608 0.921331 0.637266 O\n0.513016 0.608245 0.144197 O\n0.801688 0.048251 0.534710 O\n0.801688 0.951749 0.965290 O\n0.698046 0.628015 0.824463 O\n0.198046 0.871985 0.824463 O\n0.486984 0.608245 0.644197 O\n0.013016 0.891755 0.144197 O\n0.582392 0.078669 0.362734 O\n0.301954 0.371985 0.175537 O\n0.082392 0.578669 0.137266 O\n0.917608 0.421331 0.862734 O\n0.013016 0.108245 0.355803 O\n0.762680 0.000000 0.750000 O\n0.301688 0.548251 0.965290 O\n",
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{
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"structure_string": "Rb2 Al1 Tl1 Br6\n1.0\n0.000000 5.703219 5.703219\n5.703219 0.000000 5.703219\n5.703219 5.703219 0.000000\nRb Al Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.778166 0.221834 0.221834 Br\n0.221834 0.221834 0.778166 Br\n0.221834 0.778166 0.778166 Br\n0.221834 0.778166 0.221834 Br\n0.778166 0.221834 0.778166 Br\n0.778166 0.778166 0.221834 Br\n",
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"formula_full": "Rb2 Al1 Tl1 Br6",
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}