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{
"id": "jvasp-19258",
"created_at": "2022-09-04T14:38:32.023097Z",
"updated_at": "2022-09-04T14:38:32.023132Z",
"structure_string": "Zn6 Sn4 O14\n1.0\n5.362926 -0.000000 -0.000000\n-0.000000 5.211227 -1.405645\n0.000000 -0.125672 9.896849\nZn Sn O\n6 4 14\ndirect\n0.728097 0.745070 0.000000 Zn\n0.228097 0.254931 0.000000 Zn\n0.790793 0.572726 0.590335 Zn\n0.290793 0.427275 0.409666 Zn\n0.790793 0.982391 0.409666 Zn\n0.290793 0.017610 0.590334 Zn\n0.755783 0.356529 0.207613 Sn\n0.255783 0.643472 0.792388 Sn\n0.255783 0.851085 0.207613 Sn\n0.755783 0.148916 0.792387 Sn\n0.353546 0.620574 0.000000 O\n0.853546 0.379426 0.000000 O\n0.426999 0.156742 0.148765 O\n0.926999 0.843259 0.851235 O\n0.082798 0.552820 0.272243 O\n0.582798 0.447181 0.727757 O\n0.162808 0.074299 0.411170 O\n0.082798 0.280577 0.727757 O\n0.662809 0.336872 0.411170 O\n0.162808 0.663129 0.588831 O\n0.926999 0.992024 0.148766 O\n0.662809 0.925702 0.588831 O\n0.582798 0.719424 0.272243 O\n0.426999 0.007977 0.851235 O\n",
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{
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"structure_string": "Sb8 Ir4\n1.0\n0.000000 6.709150 -0.007532\n6.651956 0.000000 0.000000\n0.000000 -2.863545 -6.173406\nSb Ir\n8 4\ndirect\n0.149165 0.134859 0.877330 Sb\n0.850834 0.634859 0.622671 Sb\n0.850835 0.865142 0.122670 Sb\n0.149165 0.365141 0.377329 Sb\n0.344376 0.637367 0.176999 Sb\n0.655624 0.137367 0.323001 Sb\n0.655624 0.362634 0.823002 Sb\n0.344376 0.862634 0.676999 Sb\n0.270948 0.499066 0.789307 Ir\n0.729051 0.999066 0.710694 Ir\n0.729051 0.500935 0.210694 Ir\n0.270948 0.000935 0.289306 Ir\n",
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{
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"updated_at": "2022-09-04T14:37:12.805683Z",
"structure_string": "Lu4 Tl4 O12\n1.0\n5.692582 0.000000 0.000000\n-0.000000 5.798760 0.000000\n0.000000 0.000000 8.350715\nLu Tl O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.000000 0.500000 0.500000 Lu\n0.987753 0.046990 0.250000 Tl\n0.487754 0.453010 0.750000 Tl\n0.512246 0.546990 0.250000 Tl\n0.012246 0.953010 0.750000 Tl\n0.824927 0.820722 0.069164 O\n0.324927 0.679278 0.930836 O\n0.324927 0.679278 0.569163 O\n0.876893 0.585172 0.750000 O\n0.123106 0.414828 0.250000 O\n0.175073 0.179278 0.569163 O\n0.675072 0.320722 0.430836 O\n0.175073 0.179278 0.930836 O\n0.824927 0.820722 0.430836 O\n0.623106 0.085172 0.750000 O\n0.675072 0.320722 0.069164 O\n0.376893 0.914828 0.250000 O\n",
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{
"id": "jvasp-52444",
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"updated_at": "2022-09-04T14:37:27.223136Z",
"structure_string": "Cr2 Cd1 H14 N4 O8\n1.0\n5.949831 3.040546 -2.230663\n-5.949831 3.040546 2.230663\n-0.014199 0.000000 7.624164\nCr Cd H N O\n2 1 14 4 8\ndirect\n0.337590 0.662412 0.778865 Cr\n0.662412 0.337590 0.221135 Cr\n0.000000 0.000000 0.000000 Cd\n0.420033 0.851465 0.204213 H\n0.148536 0.579968 0.204213 H\n0.851465 0.420033 0.795786 H\n0.354858 0.645143 0.410417 H\n0.645143 0.354858 0.589583 H\n0.408560 0.591441 0.237693 H\n0.579968 0.148536 0.795786 H\n0.181132 0.092379 0.358177 H\n0.907623 0.818870 0.358177 H\n0.818870 0.907623 0.641823 H\n0.092379 0.181132 0.641823 H\n0.922281 0.077720 0.302422 H\n0.077720 0.922282 0.697576 H\n0.591441 0.408560 0.762307 H\n0.333867 0.666134 0.264744 N\n0.666134 0.333867 0.735255 N\n-0.001037 0.001037 0.708578 N\n0.001037 -0.001037 0.291422 N\n0.208411 0.791590 0.625738 O\n0.130888 0.420394 0.912745 O\n0.579607 0.869113 0.912745 O\n0.869113 0.579607 0.087255 O\n0.420394 0.130888 0.087255 O\n0.428700 0.571301 0.665525 O\n0.571301 0.428701 0.334475 O\n0.791590 0.208411 0.374261 O\n",
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"density_atomic": 0.10520173567093218,
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{
"id": "jvasp-33181",
"created_at": "2022-09-04T14:38:35.616019Z",
"updated_at": "2022-09-04T14:38:35.616059Z",
"structure_string": "Ru2 C8 O8\n1.0\n5.433041 -0.001721 -1.970719\n-1.031881 6.107738 -2.854646\n-0.079632 0.079906 8.294489\nRu C O\n2 8 8\ndirect\n0.000620 0.000633 0.000485 Ru\n0.500625 0.000639 0.000495 Ru\n0.127387 0.005327 0.253200 C\n0.873812 0.995936 0.747766 C\n0.060822 0.317433 0.120006 C\n0.627376 0.247164 0.253093 C\n0.940424 0.683830 0.880955 C\n0.440298 0.198530 0.880776 C\n0.373920 0.754116 0.747895 C\n0.560914 0.802740 0.120200 C\n0.798837 0.993487 0.598187 O\n0.702309 0.393460 0.402562 O\n0.597023 0.685476 0.191698 O\n0.096897 0.505709 0.191396 O\n0.404158 0.315771 0.809256 O\n0.202317 0.007783 0.402783 O\n0.904340 0.495554 0.809561 O\n0.299036 0.607819 0.598426 O\n",
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"formula_full": "Ru2 C8 O8",
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{
"id": "jvasp-59586",
"created_at": "2022-09-04T14:37:57.856340Z",
"updated_at": "2022-09-04T14:37:57.856367Z",
"structure_string": "Tb4 Mo4 O14\n1.0\n6.326584 -0.000000 3.652655\n2.108862 5.964760 3.652655\n-0.000000 0.000000 7.305310\nTb Mo O\n4 4 14\ndirect\n0.500000 0.500000 0.500000 Tb\n-0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 -0.000000 Tb\n0.000000 0.000000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.500000 0.000000 -0.000000 Mo\n-0.000000 0.500000 -0.000000 Mo\n0.086664 0.663336 0.086664 O\n0.663336 0.086664 0.663336 O\n0.663336 0.086664 0.086664 O\n0.624999 0.625000 0.625000 O\n0.913335 0.336664 0.336664 O\n0.336664 0.913336 0.336663 O\n0.336664 0.336664 0.913336 O\n0.913335 0.913336 0.336663 O\n0.913335 0.336664 0.913336 O\n0.086664 0.663336 0.663336 O\n0.336664 0.913336 0.913335 O\n0.375000 0.375000 0.375000 O\n0.663335 0.663336 0.086663 O\n0.086664 0.086664 0.663336 O\n",
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{
"id": "jvasp-28561",
"created_at": "2022-09-04T14:37:52.643587Z",
"updated_at": "2022-09-04T14:37:52.643595Z",
"structure_string": "Te2 Mo3 S4\n1.0\n3.307719 0.000000 0.000000\n-1.653860 2.864581 0.000000\n0.000000 0.000000 29.101316\nTe Mo S\n2 3 4\ndirect\n0.333220 0.666439 0.412980 Te\n0.333220 0.666439 0.280985 Te\n0.333374 0.666748 0.114973 Mo\n0.333374 0.666748 0.578992 Mo\n0.666556 0.333111 0.346982 Mo\n0.666716 0.333431 0.062468 S\n0.666713 0.333425 0.526416 S\n0.666713 0.333425 0.167549 S\n0.666716 0.333431 0.631496 S\n",
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],
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"volume": 275.74163332286986,
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{
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"created_at": "2022-09-04T14:38:54.893196Z",
"updated_at": "2022-09-04T14:38:54.893224Z",
"structure_string": "V1 Sn7\n1.0\n6.509046 0.000000 0.000000\n0.000000 6.509046 0.000000\n0.000000 0.000000 6.509046\nV Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 V\n0.236196 0.236196 0.736196 Sn\n0.000000 0.500000 0.000000 Sn\n0.236196 0.763805 0.263805 Sn\n0.500000 0.000000 0.000000 Sn\n0.763805 0.236196 0.263805 Sn\n0.500000 0.500000 0.500000 Sn\n0.763805 0.763805 0.736196 Sn\n",
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{
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"created_at": "2022-09-04T14:36:19.923204Z",
"updated_at": "2022-09-04T14:36:19.923243Z",
"structure_string": "Rb2 Sc1 Ag1 Cl6\n1.0\n6.327414 0.000000 3.653133\n2.109138 5.965543 3.653133\n0.000000 0.000000 7.306268\nRb Sc Ag Cl\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 Sc\n0.500000 0.500000 0.500000 Ag\n0.759842 0.240158 0.240158 Cl\n0.240158 0.240158 0.759842 Cl\n0.240158 0.759842 0.759842 Cl\n0.240158 0.759842 0.240157 Cl\n0.759842 0.240158 0.759842 Cl\n0.759842 0.759842 0.240157 Cl\n",
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{
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"created_at": "2022-09-04T14:38:46.367292Z",
"updated_at": "2022-09-04T14:38:46.367319Z",
"structure_string": "Li2 P4 W2 O14\n1.0\n8.478305 0.000000 0.000000\n-0.000000 4.601045 1.642042\n-0.000000 0.012538 7.074897\nLi P W O\n2 4 2 14\ndirect\n0.888223 0.185827 0.329343 Li\n0.388223 0.814173 0.670657 Li\n0.461622 0.806987 0.076161 P\n0.068176 0.591214 0.532964 P\n0.568176 0.408785 0.467036 P\n0.961622 0.193013 0.923839 P\n0.245821 0.215701 0.271778 W\n0.745821 0.784299 0.728223 W\n0.544120 0.875532 0.873319 O\n0.931849 0.921968 0.869834 O\n0.712734 0.208538 0.506455 O\n0.412258 0.241673 0.487537 O\n0.563069 0.607313 0.594279 O\n0.063069 0.392687 0.405721 O\n0.044120 0.124467 0.126681 O\n0.212734 0.791462 0.493546 O\n0.431849 0.078032 0.130166 O\n0.090085 0.392579 0.764752 O\n0.590085 0.607421 0.235248 O\n0.311193 0.631623 0.080477 O\n0.912258 0.758326 0.512463 O\n0.811193 0.368376 0.919523 O\n",
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{
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"created_at": "2022-09-04T14:36:58.357681Z",
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"structure_string": "Li4 Mn3 Co3 Sn2 O16\n1.0\n5.764210 -0.025613 0.025828\n-2.849158 5.010921 0.020642\n-0.041841 -0.065057 9.572744\nLi Mn Co Sn O\n4 3 3 2 16\ndirect\n0.332942 0.667036 0.101723 Li\n0.998224 0.001831 0.003954 Li\n0.998403 0.001623 0.506023 Li\n0.666409 0.333621 0.607494 Li\n0.169438 0.830616 0.784886 Mn\n0.830956 0.661449 0.284559 Mn\n0.338525 0.169013 0.284549 Mn\n0.168577 0.338957 0.785041 Co\n0.829962 0.170023 0.284629 Co\n0.661108 0.831480 0.785043 Co\n0.336452 0.663569 0.509718 Sn\n0.668600 0.331438 0.004713 Sn\n0.844778 0.155288 0.897091 O\n0.845311 0.687110 0.896904 O\n0.665632 0.334351 0.390014 O\n0.513145 0.031506 0.167273 O\n0.968483 0.486840 0.167278 O\n0.158761 0.841226 0.397228 O\n0.029699 0.515922 0.667798 O\n0.484432 0.515629 0.670590 O\n0.159404 0.312234 0.396693 O\n-0.000969 0.000922 0.190232 O\n0.000068 0.000002 0.691483 O\n0.332466 0.667604 0.888864 O\n0.514640 0.485317 0.166978 O\n0.687775 0.840594 0.396698 O\n0.484138 0.970343 0.667802 O\n0.312935 0.154752 0.896900 O\n",
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{
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"created_at": "2022-09-04T14:38:45.192790Z",
"updated_at": "2022-09-04T14:38:45.192817Z",
"structure_string": "Na4 Fe2 Ni2 F14\n1.0\n6.404953 -0.006117 -3.499312\n-2.104545 5.901176 -3.743749\n-0.006029 0.006117 7.298532\nNa Fe Ni F\n4 2 2 14\ndirect\n0.499999 0.500000 -0.000000 Na\n0.000000 0.000000 0.000000 Na\n0.500000 -0.000000 -0.000000 Na\n0.499999 0.500000 0.500000 Na\n-0.000000 0.500001 0.500000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Ni\n-0.000000 0.500000 -0.000000 Ni\n0.639180 0.906487 0.732696 F\n0.360819 0.093514 0.267304 F\n0.899292 0.750000 0.149292 F\n0.100707 0.250001 0.850707 F\n0.679559 0.322024 0.767395 F\n0.320440 0.087836 0.642464 F\n0.679559 0.912165 0.357536 F\n0.054628 0.412165 0.232605 F\n0.320440 0.677977 0.232605 F\n0.673789 0.406486 0.267304 F\n0.054628 0.822024 0.642464 F\n0.945371 0.587836 0.767395 F\n0.945371 0.177976 0.357536 F\n0.326209 0.593515 0.732696 F\n",
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],
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}