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{
"id": "jvasp-121026",
"created_at": "2022-09-04T14:38:53.962056Z",
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"structure_string": "Ru1 O2 F1\n1.0\n3.683320 0.001799 0.032375\n-0.013773 3.647465 0.672359\n-0.052536 -0.819734 3.990064\nRu O F\n1 2 1\ndirect\n0.068410 0.010303 -0.044113 Ru\n0.068440 0.510296 -0.044070 O\n0.568416 0.010280 0.955866 O\n0.068315 0.010511 0.455897 F\n",
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{
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{
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{
"id": "jvasp-12913",
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"updated_at": "2022-09-04T14:36:57.416912Z",
"structure_string": "Sb2 I4 F12\n1.0\n5.731680 0.123885 0.131891\n1.169031 7.893459 0.076433\n1.408432 1.591540 7.985302\nSb I F\n2 4 12\ndirect\n0.435630 0.300163 0.321608 Sb\n0.564369 0.699837 0.678391 Sb\n0.116938 0.247203 0.935836 I\n0.883062 0.752796 0.064163 I\n0.877183 0.111123 0.769282 I\n0.122816 0.888877 0.230717 I\n0.445217 0.825615 0.478198 F\n0.554783 0.174385 0.521801 F\n0.417233 0.879762 0.801877 F\n0.582767 0.120238 0.198123 F\n0.691090 0.580551 0.881835 F\n0.717673 0.413641 0.244941 F\n0.282327 0.586359 0.755058 F\n0.272141 0.484013 0.430654 F\n0.844516 0.819265 0.613260 F\n0.155483 0.180734 0.386739 F\n0.308910 0.419448 0.118164 F\n0.727858 0.515987 0.569346 F\n",
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"density": 4.538783521874178,
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"volume": 358.2160010290959,
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{
"id": "jvasp-52511",
"created_at": "2022-09-04T14:38:15.425856Z",
"updated_at": "2022-09-04T14:38:15.425885Z",
"structure_string": "K4 Sn4 O8\n1.0\n6.713895 -0.005146 0.016655\n-1.489395 6.381540 -0.025197\n-3.289666 -1.526019 6.481137\nK Sn O\n4 4 8\ndirect\n0.260278 0.976845 0.257408 K\n0.754308 0.546682 0.009781 K\n0.245486 0.458253 0.989677 K\n0.739526 0.028089 0.742067 K\n0.219456 0.911408 0.742091 Sn\n0.739280 0.511658 0.500578 Sn\n0.260504 0.493279 0.498881 Sn\n0.780336 0.093532 0.257374 Sn\n0.021768 0.701230 0.438911 O\n0.419888 0.701965 0.785736 O\n0.962990 0.716942 0.794922 O\n0.486904 0.677745 0.406997 O\n0.579905 0.302977 0.213724 O\n0.978022 0.303712 0.560551 O\n0.512879 0.327193 0.592459 O\n0.036796 0.287995 0.204536 O\n",
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{
"id": "jvasp-114159",
"created_at": "2022-09-04T14:38:39.578947Z",
"updated_at": "2022-09-04T14:38:39.578970Z",
"structure_string": "Li2 Ag1 O2\n1.0\n-1.573685 1.820707 4.907841\n1.573685 -1.820707 4.907841\n1.573685 1.820707 -4.907841\nLi Ag O\n2 1 2\ndirect\n0.213838 0.713839 0.500001 Li\n0.786162 0.286162 0.500000 Li\n0.500000 -0.000000 0.500000 Ag\n0.654254 0.654254 0.000000 O\n0.345746 0.345746 0.000000 O\n",
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{
"id": "jvasp-48322",
"created_at": "2022-09-04T14:35:55.408013Z",
"updated_at": "2022-09-04T14:35:55.408032Z",
"structure_string": "Fe6 O4 F8\n1.0\n4.697244 0.046518 0.016670\n0.154632 5.586425 0.040824\n0.104208 0.690496 7.689585\nFe O F\n6 4 8\ndirect\n0.507583 0.821760 0.660747 Fe\n0.519643 0.505583 0.000535 Fe\n0.454261 0.202195 0.358612 Fe\n0.000842 0.338555 0.679827 Fe\n0.002782 0.662021 0.298037 Fe\n0.983776 0.976071 0.012503 Fe\n0.315756 0.475580 0.213923 O\n0.296511 0.125236 0.581899 O\n0.780908 0.690473 0.088664 O\n0.694176 0.528164 0.775033 O\n0.197481 0.632792 0.553674 F\n0.802373 0.371963 0.434255 F\n0.800555 0.024689 0.772046 F\n0.707843 0.213164 0.098183 F\n0.709406 0.877212 0.422779 F\n0.299317 0.785135 0.905497 F\n0.211824 0.977038 0.233131 F\n0.214953 0.292385 0.910646 F\n",
"nsites": 18,
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"elements": [
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"density": 4.539257108768467,
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"volume": 201.5854233018999,
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"formula_full": "Fe6 O4 F8",
"formula_reduced": "Fe3(OF2)2",
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{
"id": "jvasp-119002",
"created_at": "2022-09-04T14:38:32.282099Z",
"updated_at": "2022-09-04T14:38:32.282119Z",
"structure_string": "Li4 Ti3 Mn3 Sn2 O16\n1.0\n6.022232 -0.027228 0.181367\n3.149006 5.133398 0.181367\n-0.075509 -0.042040 9.786537\nLi Ti Mn Sn O\n4 3 3 2 16\ndirect\n0.658696 0.658696 0.103179 Li\n0.995233 0.995232 0.010853 Li\n0.007399 0.007399 0.505781 Li\n0.334083 0.334083 0.599445 Li\n0.169214 0.169214 0.281156 Ti\n0.338511 0.832352 0.785275 Ti\n0.832352 0.338511 0.785275 Ti\n0.170020 0.660691 0.288319 Mn\n0.660691 0.170020 0.288319 Mn\n0.830687 0.830687 0.785701 Mn\n0.674037 0.674037 0.507511 Sn\n0.332864 0.332864 0.011017 Sn\n0.161196 0.161196 0.895927 O\n0.167636 0.679024 0.900911 O\n0.332160 0.332160 0.389600 O\n0.467883 0.023960 0.155497 O\n0.023960 0.467883 0.155497 O\n0.848827 0.848827 0.405648 O\n0.966934 0.505700 0.662062 O\n0.518610 0.518610 0.665007 O\n0.854330 0.333098 0.401357 O\n-0.001431 -0.001431 0.196450 O\n0.005591 0.005592 0.691222 O\n0.655587 0.655587 0.893962 O\n0.477051 0.477051 0.162868 O\n0.333099 0.854330 0.401357 O\n0.505700 0.966934 0.662062 O\n0.679023 0.167636 0.900911 O\n",
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{
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"created_at": "2022-09-04T14:36:17.951219Z",
"updated_at": "2022-09-04T14:36:17.951246Z",
"structure_string": "Mn1 Be1 Si1\n1.0\n1.299976 -2.251624 0.000000\n1.299976 2.251624 -0.000000\n0.000000 0.000000 5.751192\nMn Be Si\n1 1 1\ndirect\n0.333335 0.666668 0.672682 Mn\n0.000000 0.000000 0.992149 Be\n0.666668 0.333335 0.335168 Si\n",
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{
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"created_at": "2022-09-04T14:38:46.140358Z",
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"structure_string": "Sr1 Sn1 O1\n1.0\n5.046304 0.000000 0.000000\n-2.523152 4.370228 -0.000000\n-0.000000 0.000000 3.687881\nSr Sn O\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sr\n0.333333 0.666667 0.000000 Sn\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Ti2 C1\n1.0\n2.934872 -0.002004 4.189105\n1.319955 2.621297 4.189105\n-0.003255 -0.002004 5.114887\nTi C\n2 1\ndirect\n0.246353 0.246356 0.246356 Ti\n0.753641 0.753648 0.753648 Ti\n0.499997 0.500002 0.500002 C\n",
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{
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"structure_string": "Ba4 Mg1 Pd1\n1.0\n-0.000000 4.991670 4.991670\n4.991670 0.000000 4.991670\n4.991670 4.991670 -0.000000\nBa Mg Pd\n4 1 1\ndirect\n0.122227 0.625924 0.625924 Ba\n0.625924 0.625924 0.625924 Ba\n0.625924 0.122227 0.625924 Ba\n0.625924 0.625924 0.122227 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Pd\n",
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