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{
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"structure_string": "Rb10 Co4 O8\n1.0\n6.970522 0.012241 0.044657\n2.911784 7.566104 4.353746\n-0.040095 0.051503 9.568298\nRb Co O\n10 4 8\ndirect\n0.903529 0.829050 0.779845 Rb\n0.096472 0.170949 0.220157 Rb\n0.897277 0.437620 0.781367 Rb\n0.102723 0.562379 0.218634 Rb\n0.730483 0.050055 0.024409 Rb\n0.269518 0.949944 0.975593 Rb\n0.375536 0.363615 0.634526 Rb\n0.624464 0.636384 0.365476 Rb\n0.619308 0.172487 0.380359 Rb\n0.380693 0.827512 0.619642 Rb\n0.013850 0.209391 0.576445 Co\n0.986150 0.790608 0.423557 Co\n0.616401 0.575866 0.030969 Co\n0.383599 0.424133 0.969033 Co\n0.806012 0.206688 0.680473 O\n0.688792 0.737599 0.045032 O\n0.311208 0.262400 0.954969 O\n0.230793 0.205277 0.483230 O\n0.769207 0.794722 0.516771 O\n0.318691 0.644516 0.952046 O\n0.681309 0.355483 0.047955 O\n0.193989 0.793311 0.319528 O\n",
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"structure_string": "Li5 Cu3 Sb2 O10\n1.0\n5.252020 -0.034337 -0.032592\n-1.372294 5.372989 0.074719\n-1.983997 -2.309407 7.226307\nLi Cu Sb O\n5 3 2 10\ndirect\n0.226910 0.884495 0.377196 Li\n0.411524 0.303584 0.806438 Li\n0.500000 0.500000 0.500000 Li\n0.588476 0.696415 0.193563 Li\n0.773091 0.115504 0.622805 Li\n0.000000 0.500000 0.000000 Cu\n0.711435 0.886210 0.901240 Cu\n0.288566 0.113789 0.098760 Cu\n0.889552 0.303212 0.300780 Sb\n0.110448 0.696787 0.699221 Sb\n0.648765 0.337706 0.069716 O\n0.061548 0.028359 0.824505 O\n0.351236 0.662293 0.930285 O\n0.142149 0.342359 0.555493 O\n0.214611 0.524193 0.249990 O\n0.450823 0.884587 0.655935 O\n0.549178 0.115412 0.344065 O\n0.785389 0.475807 0.750011 O\n0.857851 0.657641 0.444508 O\n0.938453 0.971640 0.175495 O\n",
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{
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"structure_string": "V6 O10 F2\n1.0\n5.461083 -0.019713 0.041419\n1.427692 5.255352 0.053239\n2.148142 1.626667 6.488591\nV O F\n6 10 2\ndirect\n0.360751 0.336400 0.152529 V\n0.636869 0.700859 0.330863 V\n0.363130 0.299141 0.669137 V\n0.639248 0.663600 0.847471 V\n-0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.703429 0.295828 -0.001058 O\n0.638192 0.021075 0.671236 O\n0.296570 0.704172 0.001058 O\n0.565961 0.565318 0.630800 O\n0.235104 0.236690 0.965340 O\n0.434037 0.434683 0.369200 O\n0.103325 0.100934 0.695653 O\n0.764895 0.763310 0.034660 O\n0.361806 0.978925 0.328764 O\n0.896673 0.899067 0.304347 O\n0.033300 0.627611 0.670693 F\n0.966698 0.372390 0.329307 F\n",
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{
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"structure_string": "As2 S6 N4 F12\n1.0\n5.452982 0.015695 0.780905\n2.027736 7.319840 0.155981\n-0.003918 0.106379 9.436021\nAs S N F\n2 6 4 12\ndirect\n0.920298 0.224064 0.778928 As\n0.079701 0.775936 0.221072 As\n0.466779 0.200731 0.149521 S\n0.562921 0.740749 0.558845 S\n0.437079 0.259252 0.441156 S\n0.264182 0.644924 0.795002 S\n0.533221 0.799270 0.850479 S\n0.735818 0.355077 0.204998 S\n0.653342 0.818867 0.688843 N\n0.346657 0.181134 0.311157 N\n0.652730 0.350393 0.373647 N\n0.347269 0.649608 0.626354 N\n0.036012 0.580787 0.320379 F\n0.282495 0.627665 0.082925 F\n0.131819 0.966321 0.120615 F\n0.816723 0.778621 0.133038 F\n0.717505 0.372336 0.917075 F\n0.868181 0.033679 0.879385 F\n0.963987 0.419214 0.679621 F\n0.879104 0.923239 0.357779 F\n0.347944 0.765964 0.307322 F\n0.183277 0.221379 0.866962 F\n0.120895 0.076762 0.642221 F\n0.652056 0.234037 0.692679 F\n",
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{
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"created_at": "2022-09-04T14:35:49.000096Z",
"updated_at": "2022-09-04T14:35:49.000123Z",
"structure_string": "K2 Mg1 Mo2 H4 O10\n1.0\n4.959122 -0.636696 -1.747931\n-2.079829 7.314735 -0.143363\n-1.671764 1.759039 6.807201\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.540793 0.749055 0.437851 K\n0.459206 0.250944 0.562149 K\n0.000000 0.000000 0.000000 Mg\n0.354945 0.704043 0.887016 Mo\n0.645055 0.295956 0.112984 Mo\n0.168828 0.379839 0.080216 H\n0.831172 0.620160 0.919785 H\n0.888308 0.678169 0.272831 H\n0.111692 0.321830 0.727169 H\n0.829956 0.192238 0.040666 O\n0.170044 0.807760 0.959334 O\n0.184480 0.210503 0.825030 O\n0.815520 0.789495 0.174970 O\n0.530155 0.893736 0.746546 O\n0.616675 0.533354 0.872224 O\n0.469845 0.106263 0.253454 O\n0.020859 0.566204 0.677300 O\n0.383325 0.466644 0.127777 O\n-0.020858 0.433795 0.322700 O\n",
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{
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"created_at": "2022-09-04T14:35:49.165629Z",
"updated_at": "2022-09-04T14:35:49.165646Z",
"structure_string": "Ga2 H24 N6 O6 F12\n1.0\n5.857995 0.256518 1.238357\n2.321830 7.100714 0.443519\n0.728323 -0.177731 10.344862\nGa H N O F\n2 24 6 6 12\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.054558 0.196734 0.496817 H\n0.326416 0.879053 0.616553 H\n0.673585 0.120947 0.383447 H\n0.056262 0.051433 0.690030 H\n0.943738 0.948566 0.309970 H\n0.322421 0.105281 0.638436 H\n0.677580 0.894719 0.361564 H\n0.968656 0.465671 0.343474 H\n0.031344 0.534329 0.656527 H\n0.336861 0.364660 0.102314 H\n0.663139 0.635339 0.897686 H\n0.945442 0.803266 0.503183 H\n0.787598 0.790057 0.806281 H\n0.379659 0.315945 0.257073 H\n0.620341 0.684055 0.742927 H\n0.739632 0.451358 0.063162 H\n0.260368 0.548641 0.936838 H\n0.439864 0.835006 0.139067 H\n0.560136 0.164994 0.860934 H\n0.587386 0.682389 0.243238 H\n0.412614 0.317610 0.756762 H\n0.761339 0.742656 0.096939 H\n0.212403 0.209943 0.193719 H\n0.238661 0.257343 0.903061 H\n0.774605 0.974362 0.382907 N\n0.255771 0.331525 0.199139 N\n0.225395 0.025638 0.617093 N\n0.597723 0.717210 0.142838 N\n0.402277 0.282790 0.857162 N\n0.744229 0.668475 0.800861 N\n0.415528 0.431498 -0.069519 O\n0.584473 0.568502 0.069519 O\n-0.036631 0.505567 0.752087 O\n0.036631 0.494433 0.247913 O\n0.801306 0.928099 0.514923 O\n0.198694 0.071901 0.485078 O\n0.149305 0.608766 0.512089 F\n0.850695 0.391234 0.487911 F\n0.441477 0.292026 0.600964 F\n0.558524 0.707974 0.399036 F\n0.035420 0.732318 0.994255 F\n0.145469 0.976100 0.154278 F\n0.314642 -0.050004 0.877719 F\n0.685358 0.050004 0.122281 F\n0.854532 0.023900 0.845722 F\n0.561861 0.355204 0.340393 F\n0.964581 0.267682 0.005745 F\n0.438140 0.644796 0.659608 F\n",
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{
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"created_at": "2022-09-04T14:35:49.652528Z",
"updated_at": "2022-09-04T14:35:49.652561Z",
"structure_string": "Li3 Fe5 O10\n1.0\n4.867758 0.020985 -0.035421\n-0.817411 4.896794 0.059111\n-2.465628 -2.015556 6.859576\nLi Fe O\n3 5 10\ndirect\n0.201291 0.498640 0.419504 Li\n-0.000000 -0.000000 0.500000 Li\n0.798709 0.501359 0.580497 Li\n0.574684 -0.005340 0.693199 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.210465 0.005617 0.895762 Fe\n0.789536 0.994383 0.104238 Fe\n0.425317 0.005341 0.306801 Fe\n0.397142 0.774710 0.054515 O\n0.980597 0.226929 0.759906 O\n0.788061 0.218988 0.332085 O\n0.211940 0.781011 0.667916 O\n0.820286 0.789057 0.861171 O\n0.602858 0.225290 0.945485 O\n0.419649 0.218344 0.536242 O\n0.580352 0.781656 0.463759 O\n0.019403 0.773070 0.240095 O\n0.179715 0.210942 0.138830 O\n",
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{
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"structure_string": "Al8 Si4 O20\n1.0\n-5.622504 0.001797 0.005259\n1.387575 7.048319 0.000555\n-0.006300 -2.224932 -7.606578\nAl Si O\n8 4 20\ndirect\n0.041891 0.174821 0.795993 Al\n0.958110 0.825180 0.204008 Al\n0.549753 0.203377 0.801419 Al\n0.450247 0.796624 0.198582 Al\n0.859856 0.400557 0.113799 Al\n0.140144 0.599445 0.886202 Al\n0.335399 0.388159 0.582786 Al\n0.664601 0.611842 0.417215 Al\n0.206710 0.796427 0.564845 Si\n0.793290 0.203574 0.435156 Si\n0.310995 0.208894 0.168173 Si\n0.689005 0.791107 0.831828 Si\n0.371620 0.390878 0.353356 O\n0.138969 0.621342 0.130722 O\n0.861031 0.378660 0.869278 O\n0.929033 0.782502 0.945650 O\n0.070968 0.217499 0.054351 O\n0.435738 0.783364 0.435179 O\n0.564263 0.216637 0.564822 O\n0.628381 0.609124 0.646645 O\n0.166818 0.608153 0.652318 O\n0.744248 0.001167 0.774949 O\n0.454134 0.774912 0.954704 O\n0.545866 0.225089 0.045297 O\n0.965491 0.791519 0.446354 O\n0.034510 0.208482 0.553647 O\n0.319122 0.377630 0.815064 O\n0.255753 0.998834 0.225052 O\n0.256144 0.001865 0.731348 O\n0.743857 0.998136 0.268652 O\n0.833183 0.391848 0.347682 O\n0.680879 0.622371 0.184937 O\n",
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{
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"structure_string": "U3 Cu1 O10\n1.0\n5.294371 -0.023196 1.884600\n1.301497 5.195375 1.851447\n0.026870 -0.025791 7.591853\nU Cu O\n3 1 10\ndirect\n0.000000 0.000000 0.000000 U\n0.544076 0.458346 0.731999 U\n0.455924 0.541653 0.268002 U\n-0.000000 0.000000 0.500000 Cu\n0.695605 0.761046 0.138202 O\n0.916460 0.078226 0.748553 O\n0.083540 0.921773 0.251447 O\n0.234871 0.325517 0.357290 O\n0.311955 0.700155 0.534040 O\n0.295789 0.691102 0.965841 O\n0.304396 0.238952 0.861798 O\n0.688046 0.299843 0.465960 O\n0.765130 0.674482 0.642710 O\n0.704212 0.308896 0.034159 O\n",
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{
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"structure_string": "Ce4 Ge6 O18\n1.0\n7.313731 0.005996 -2.565968\n0.063375 2.870472 8.295445\n-0.052142 -2.891958 8.358474\nCe Ge O\n4 6 18\ndirect\n0.803079 0.913727 0.870634 Ce\n0.196921 0.086273 0.129366 Ce\n0.815288 0.226922 0.187380 Ce\n0.184712 0.773078 0.812620 Ce\n0.490551 0.323131 0.335174 Ge\n0.073480 0.423972 0.427332 Ge\n0.509448 0.676869 0.664826 Ge\n0.514415 0.764650 0.238649 Ge\n0.485585 0.235350 0.761351 Ge\n0.926519 0.576028 0.572668 Ge\n0.689022 0.213263 0.406559 O\n0.969112 0.889794 0.419151 O\n0.030887 0.110205 0.580849 O\n0.462471 0.113877 0.647934 O\n0.537528 0.886123 0.352065 O\n0.011211 0.573543 0.118534 O\n0.988789 0.426457 0.881465 O\n0.310977 0.786737 0.593441 O\n0.321688 0.961783 0.989824 O\n0.476836 0.350281 0.872190 O\n0.327626 0.487636 0.465453 O\n0.672374 0.512364 0.534547 O\n0.707306 0.667739 0.834624 O\n0.678312 0.038217 0.010176 O\n0.991690 0.710903 0.287437 O\n0.008309 0.289097 0.712563 O\n0.523164 0.649719 0.127810 O\n0.292694 0.332261 0.165376 O\n",
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{
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"created_at": "2022-09-04T14:35:54.027658Z",
"updated_at": "2022-09-04T14:35:54.027678Z",
"structure_string": "Nd8 Sn12\n1.0\n6.401052 -0.012741 -0.761963\n-1.810754 7.938061 -2.544466\n-0.001847 -0.005498 11.215292\nNd Sn\n8 12\ndirect\n0.126322 0.754540 0.385111 Nd\n0.332585 0.032590 0.745231 Nd\n0.667415 0.967409 0.254768 Nd\n0.554639 0.429220 0.336434 Nd\n0.445361 0.570780 0.663566 Nd\n0.959602 0.252626 0.056774 Nd\n0.040398 0.747373 0.943225 Nd\n0.873678 0.245460 0.614889 Nd\n0.825430 0.964481 0.777084 Sn\n0.174570 0.035518 0.222916 Sn\n0.561442 0.830892 0.947557 Sn\n0.221850 0.406159 0.863178 Sn\n0.778150 0.593841 0.136822 Sn\n0.323217 0.602255 0.139971 Sn\n0.676782 0.397745 0.860029 Sn\n0.356122 0.166124 0.500495 Sn\n0.643877 0.833876 0.499504 Sn\n0.438558 0.169108 0.052443 Sn\n0.044099 0.353099 0.379309 Sn\n0.955900 0.646900 0.620691 Sn\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Nd",
"Sn"
],
"chemical_system": "Nd-Sn",
"density": 7.518172952331497,
"density_atomic": 0.03511830009324285,
"volume": 569.5036475825384,
"volume_molar": 17.1481556453774,
"formula_full": "Nd8 Sn12",
"formula_reduced": "Nd2Sn3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.8177556200000002,
"spacegroup": 2
},
{
"id": "jvasp-91506",
"created_at": "2022-09-04T14:35:50.415145Z",
"updated_at": "2022-09-04T14:35:50.415176Z",
"structure_string": "Ni5 Se4 Br2 O12\n1.0\n6.244640 0.013676 1.748055\n0.326397 7.019223 2.869615\n0.081391 -0.059226 7.680023\nNi Se Br O\n5 4 2 12\ndirect\n0.368908 0.309802 0.582269 Ni\n0.822906 0.873900 0.648106 Ni\n0.500000 0.000000 0.000000 Ni\n0.631092 0.690198 0.417731 Ni\n0.177094 0.126100 0.351894 Ni\n0.840752 0.307886 0.691248 Se\n0.159248 0.692113 0.308752 Se\n0.290331 0.833703 0.773866 Se\n0.709670 0.166297 0.226134 Se\n0.705313 0.659012 0.020011 Br\n0.294688 0.340988 0.979989 Br\n0.338412 0.595518 0.456785 O\n0.230645 0.927911 0.211719 O\n0.662560 0.953611 0.207738 O\n0.769355 0.072088 0.788281 O\n0.918890 0.696862 0.481368 O\n0.081111 0.303138 0.518632 O\n0.457310 0.202925 0.367999 O\n0.337440 0.046389 0.792262 O\n0.861481 0.094450 0.394850 O\n0.542690 0.797075 0.632000 O\n0.661588 0.404481 0.543215 O\n0.138519 0.905550 0.605150 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ni",
"Se",
"Br",
"O"
],
"chemical_system": "Br-Ni-O-Se",
"density": 4.740947144759112,
"density_atomic": 0.0683237587064112,
"volume": 336.63253362320916,
"volume_molar": 8.814123921193037,
"formula_full": "Ni5 Se4 Br2 O12",
"formula_reduced": "Ni5Se4(BrO6)2",
"formula_anonymous": "A2B4C5D12",
"energy_above_hull": 2.154684594637681,
"spacegroup": 2
}
]
}