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{
"id": "jvasp-88713",
"created_at": "2022-09-04T14:38:07.916106Z",
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"structure_string": "Na4 V8 O16\n1.0\n2.888669 0.000000 0.000000\n0.000000 9.205669 0.000000\n0.000000 0.000000 10.693955\nNa V O\n4 8 16\ndirect\n0.750000 0.258328 0.846938 Na\n0.750000 0.758328 0.653061 Na\n0.250000 0.241672 0.346938 Na\n0.250000 0.741672 0.153061 Na\n0.250000 0.586648 0.896121 V\n0.750000 0.438814 0.614584 V\n0.250000 0.061186 0.114585 V\n0.750000 0.938814 0.885415 V\n0.750000 0.913352 0.396121 V\n0.250000 0.086648 0.603879 V\n0.250000 0.561186 0.385415 V\n0.750000 0.413352 0.103879 V\n0.250000 0.793405 0.852479 O\n0.250000 0.388434 0.980038 O\n0.750000 0.521135 0.782871 O\n0.750000 0.021135 0.717128 O\n0.250000 0.078577 0.929442 O\n0.750000 0.206595 0.147520 O\n0.250000 0.293405 0.647520 O\n0.750000 0.421423 0.429442 O\n0.750000 0.706595 0.352480 O\n0.750000 0.111566 0.480038 O\n0.250000 0.978865 0.282871 O\n0.250000 0.578577 0.570558 O\n0.750000 0.921423 0.070558 O\n0.250000 0.478865 0.217128 O\n0.250000 0.888434 0.519962 O\n0.750000 0.611566 0.019962 O\n",
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{
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"structure_string": "Rb12 Sb4 O12\n1.0\n8.716388 -0.000000 0.000000\n-0.000000 8.716388 -0.000000\n-0.000000 -0.000000 8.716388\nRb Sb O\n12 4 12\ndirect\n0.025915 0.025915 0.025915 Rb\n0.213892 0.286108 0.713892 Rb\n0.217681 0.717682 0.782319 Rb\n0.282319 0.282319 0.282319 Rb\n0.286108 0.713892 0.213892 Rb\n0.474085 0.974085 0.525915 Rb\n0.525915 0.474085 0.974085 Rb\n0.713892 0.213892 0.286108 Rb\n0.717682 0.782319 0.217681 Rb\n0.782319 0.217681 0.717682 Rb\n0.786108 0.786108 0.786108 Rb\n0.974085 0.525915 0.474085 Rb\n0.987266 0.487266 0.012735 Sb\n0.512735 0.512735 0.512735 Sb\n0.487266 0.012735 0.987266 Sb\n0.012735 0.987266 0.487266 Sb\n0.006186 0.209400 0.444224 O\n0.055776 0.993815 0.709400 O\n0.209400 0.444224 0.006186 O\n0.290600 0.555776 0.506186 O\n0.444224 0.006186 0.209400 O\n0.493814 0.790601 0.944224 O\n0.506186 0.290600 0.555776 O\n0.555776 0.506186 0.290600 O\n0.709400 0.055776 0.993815 O\n0.790601 0.944224 0.493814 O\n0.944224 0.493814 0.790601 O\n0.993815 0.709400 0.055776 O\n",
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{
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"created_at": "2022-09-04T14:38:04.239800Z",
"updated_at": "2022-09-04T14:38:04.239822Z",
"structure_string": "Tm4 H12 O12\n1.0\n5.805954 0.000000 0.480603\n0.000000 10.316920 0.000000\n0.415809 0.000000 4.935470\nTm H O\n4 12 12\ndirect\n0.098923 0.341108 0.943606 Tm\n0.401077 0.841108 0.056393 Tm\n0.598923 0.158892 0.943606 Tm\n0.901076 0.658892 0.056393 Tm\n0.872056 0.195948 0.365858 H\n0.840716 0.927726 0.800479 H\n0.695560 0.863590 0.449289 H\n0.659284 0.427726 0.199521 H\n0.627943 0.695948 0.634141 H\n0.804439 0.363590 0.550710 H\n0.340716 0.572274 0.800479 H\n0.304439 0.136410 0.550710 H\n0.195561 0.636410 0.449290 H\n0.159284 0.072274 0.199521 H\n0.127943 0.804052 0.634141 H\n0.372057 0.304052 0.365859 H\n0.663428 0.794004 0.323149 O\n0.836571 0.294004 0.676850 O\n0.600517 0.673012 0.831598 O\n0.681983 0.960906 0.789362 O\n0.318016 0.039094 0.210637 O\n0.336571 0.205996 0.676850 O\n0.163429 0.705996 0.323150 O\n0.100518 0.826988 0.831598 O\n0.181984 0.539094 0.789362 O\n0.899482 0.173012 0.168401 O\n0.399482 0.326988 0.168402 O\n0.818016 0.460906 0.210637 O\n",
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{
"id": "jvasp-43069",
"created_at": "2022-09-04T14:38:07.260036Z",
"updated_at": "2022-09-04T14:38:07.260066Z",
"structure_string": "Li4 Mn4 V4 O16\n1.0\n5.956116 0.000000 0.000000\n0.000000 5.956116 0.000000\n0.000000 -0.000000 8.189684\nLi Mn V O\n4 4 4 16\ndirect\n0.000000 0.244467 0.000000 Li\n0.000000 0.755534 0.500000 Li\n0.244467 0.000000 0.250000 Li\n0.755534 0.000000 0.750000 Li\n0.253908 0.253908 0.625000 Mn\n0.253908 0.746093 0.875000 Mn\n0.746093 0.253908 0.375000 Mn\n0.746093 0.746093 0.125000 Mn\n0.777070 0.500000 0.750000 V\n0.500000 0.777070 0.500000 V\n0.500000 0.222931 0.000000 V\n0.222931 0.500000 0.250000 V\n0.730306 0.969392 0.492465 O\n0.730306 0.030609 0.007534 O\n0.731601 0.486638 0.979448 O\n0.731601 0.513363 0.520552 O\n0.513363 0.731601 0.729448 O\n0.513363 0.268399 0.770551 O\n0.486638 0.731601 0.270552 O\n0.030609 0.730306 0.242465 O\n0.268399 0.513363 0.479448 O\n0.268399 0.486638 0.020552 O\n0.269695 0.969392 0.507534 O\n0.269695 0.030609 0.992465 O\n0.969392 0.269695 0.742465 O\n0.030609 0.269695 0.257534 O\n0.486638 0.268399 0.229448 O\n0.969392 0.730306 0.757534 O\n",
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"density_atomic": 0.09637504454555883,
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"formula_full": "Li4 Mn4 V4 O16",
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"spacegroup": 95
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{
"id": "jvasp-47067",
"created_at": "2022-09-04T14:38:06.576860Z",
"updated_at": "2022-09-04T14:38:06.576878Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.385341 0.000000 0.000000\n-0.000000 4.807796 0.000000\n0.000000 0.000000 14.252796\nLi Mn P O\n4 4 4 16\ndirect\n0.000000 0.250000 0.248329 Li\n0.000000 0.750001 0.751671 Li\n0.500000 0.750001 0.251671 Li\n0.500000 0.250000 0.748329 Li\n0.000000 0.750001 0.073779 Mn\n0.000000 0.250000 0.926221 Mn\n0.500000 0.750001 0.573779 Mn\n0.500000 0.250000 0.426221 Mn\n0.500000 0.250000 0.114544 P\n0.500000 0.750001 0.885456 P\n0.000000 0.250000 0.614544 P\n0.000000 0.750001 0.385456 P\n0.265652 0.588817 0.945867 O\n0.265652 0.088816 0.054133 O\n0.234348 0.588817 0.445867 O\n0.234348 0.088816 0.554133 O\n0.315600 0.961543 0.824572 O\n0.315600 0.461543 0.175429 O\n0.684399 0.538458 0.824572 O\n0.815600 0.038458 0.675429 O\n0.765652 0.411184 0.554133 O\n0.765652 0.911185 0.445867 O\n0.734347 0.911185 0.945867 O\n0.734347 0.411184 0.054133 O\n0.184399 0.961543 0.324571 O\n0.815600 0.538458 0.324571 O\n0.684399 0.038458 0.175429 O\n0.184399 0.461543 0.675429 O\n",
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{
"id": "jvasp-45175",
"created_at": "2022-09-04T14:38:07.222627Z",
"updated_at": "2022-09-04T14:38:07.222652Z",
"structure_string": "Li4 Cr8 O16\n1.0\n5.777482 0.000055 -0.000064\n-2.888693 5.003363 0.000127\n0.000298 -0.000517 9.298553\nLi Cr O\n4 8 16\ndirect\n0.333319 0.666685 0.892002 Li\n0.999961 0.999954 0.996517 Li\n0.000039 -0.000008 0.496516 Li\n0.666682 0.333366 0.392002 Li\n0.829374 0.170647 0.712217 Cr\n0.829366 0.658747 0.712228 Cr\n0.341252 0.170641 0.712226 Cr\n0.666655 0.333335 0.988387 Cr\n0.170626 0.341271 0.212217 Cr\n0.333346 0.666680 0.488387 Cr\n0.170635 0.829381 0.212228 Cr\n0.658748 0.829390 0.212227 Cr\n0.332399 0.166208 0.102310 O\n0.833781 0.667571 0.102331 O\n0.666651 0.333341 0.600108 O\n0.520885 0.041780 0.841576 O\n0.520884 0.479136 0.841583 O\n0.667602 0.833809 0.602310 O\n0.479116 0.520895 0.341576 O\n0.041779 0.520905 0.341591 O\n0.166218 0.332439 0.602319 O\n-0.000002 0.000019 0.808525 O\n0.000002 0.000021 0.308525 O\n0.333349 0.666690 0.100108 O\n0.958222 0.479129 0.841591 O\n0.166220 0.833790 0.602330 O\n0.479116 0.958253 0.341583 O\n0.833782 0.166222 0.102320 O\n",
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{
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"created_at": "2022-09-04T14:38:06.586897Z",
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"structure_string": "Zn4 C8 S8 N8\n1.0\n7.044362 -0.008263 2.511121\n-0.314024 7.647360 2.062238\n0.041248 -0.046211 10.312923\nZn C S N\n4 8 8 8\ndirect\n0.685643 0.396062 0.833457 Zn\n0.781562 0.065379 0.318900 Zn\n0.218439 0.934621 0.681100 Zn\n0.314358 0.603938 0.166543 Zn\n0.563257 0.103484 0.115296 C\n0.869095 0.703887 0.887827 C\n0.010878 0.255803 0.607917 C\n0.606261 0.424654 0.305882 C\n0.130906 0.296113 0.112173 C\n0.989123 0.744198 0.392082 C\n0.436744 0.896516 0.884704 C\n0.393740 0.575347 0.694117 C\n0.176701 0.168370 0.497092 S\n0.273954 0.680221 0.594018 S\n0.476339 0.039462 0.730994 S\n0.956849 0.882268 0.899158 S\n0.823300 0.831630 0.502908 S\n0.043151 0.117733 0.100842 S\n0.726047 0.319780 0.405981 S\n0.523661 0.960538 0.269006 S\n0.590748 0.203628 0.004272 N\n0.889484 0.318515 0.685408 N\n0.481519 0.496013 0.762870 N\n0.518482 0.503987 0.237129 N\n0.198489 0.423841 0.116907 N\n0.409253 0.796372 0.995727 N\n0.110517 0.681486 0.314591 N\n0.801512 0.576159 0.883093 N\n",
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{
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"structure_string": "K2 Er6 F20\n1.0\n7.020386 -0.000000 4.053222\n2.340129 6.618884 4.053222\n0.000000 0.000000 8.106444\nK Er F\n2 6 20\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.239990 0.760010 0.760010 Er\n0.760011 0.239989 0.239989 Er\n0.760011 0.760010 0.239989 Er\n0.239990 0.239989 0.760010 Er\n0.760011 0.239989 0.760010 Er\n0.239990 0.760010 0.239989 Er\n0.500001 0.831942 0.168057 F\n0.831943 0.168057 0.499999 F\n0.500000 0.500000 0.831942 F\n0.831943 0.500000 0.499999 F\n0.887970 0.887969 0.887968 F\n0.112031 0.112031 0.663909 F\n0.168058 0.500000 0.500000 F\n0.887970 0.336091 0.887968 F\n0.336091 0.887969 0.887969 F\n0.887970 0.887969 0.336090 F\n0.112031 0.112031 0.112031 F\n0.500000 0.168057 0.831942 F\n0.500001 0.831942 0.499999 F\n0.831943 0.500000 0.168057 F\n0.168058 0.831942 0.500000 F\n0.500000 0.168057 0.500000 F\n0.168058 0.500000 0.831942 F\n0.500000 0.500000 0.168057 F\n0.663909 0.112031 0.112030 F\n0.112031 0.663909 0.112030 F\n",
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{
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"created_at": "2022-09-04T14:37:42.590232Z",
"updated_at": "2022-09-04T14:37:42.590251Z",
"structure_string": "Li8 S4 O16\n1.0\n0.000000 8.162108 0.023173\n4.973058 0.000000 0.000000\n0.000000 -2.560210 -7.997971\nLi S O\n8 4 16\ndirect\n0.058235 0.921409 0.870341 Li\n0.441765 0.421409 0.129659 Li\n0.941765 0.078591 0.129660 Li\n0.558235 0.578591 0.870341 Li\n0.294008 0.927385 0.618540 Li\n0.205992 0.427385 0.381461 Li\n0.705992 0.072615 0.381461 Li\n0.794008 0.572615 0.618540 Li\n0.318305 0.932570 0.252185 S\n0.681696 0.067430 0.747816 S\n0.818305 0.567430 0.252185 S\n0.181695 0.432570 0.747815 S\n0.166829 0.984591 0.104208 O\n0.333171 0.484591 0.895793 O\n0.028382 0.562800 0.773249 O\n0.833171 0.015409 0.895793 O\n0.471618 0.062800 0.226751 O\n0.971618 0.437200 0.226751 O\n0.150598 0.139743 0.721647 O\n0.782078 0.448202 0.400381 O\n0.849402 0.860257 0.278353 O\n0.650598 0.360257 0.721647 O\n0.349402 0.639743 0.278353 O\n0.282078 0.051798 0.400381 O\n0.666829 0.515410 0.104208 O\n0.217922 0.551799 0.599619 O\n0.528382 0.937201 0.773249 O\n0.717922 0.948202 0.599619 O\n",
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{
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"created_at": "2022-09-04T14:37:42.089808Z",
"updated_at": "2022-09-04T14:37:42.089817Z",
"structure_string": "Al12 Te12 I4\n1.0\n4.141898 0.000000 0.000000\n0.000000 11.357082 0.000000\n0.000000 0.000000 19.904395\nAl Te I\n12 12 4\ndirect\n0.750000 0.837851 0.632950 Al\n0.750000 0.949815 0.101410 Al\n0.250000 0.050185 0.898590 Al\n0.750000 0.449815 0.398590 Al\n0.750000 0.828961 0.992272 Al\n0.250000 0.171038 0.007728 Al\n0.250000 0.550185 0.601410 Al\n0.250000 0.671038 0.492272 Al\n0.250000 0.662149 0.132950 Al\n0.750000 0.337851 0.867050 Al\n0.250000 0.162149 0.367050 Al\n0.750000 0.328961 0.507728 Al\n0.250000 0.091302 0.135222 Te\n0.250000 0.673839 -0.001061 Te\n0.750000 0.326160 0.001061 Te\n0.250000 0.173839 0.501061 Te\n0.750000 0.826160 0.498939 Te\n0.750000 0.908698 0.864778 Te\n0.750000 0.271288 0.308039 Te\n0.750000 0.408698 0.635222 Te\n0.750000 0.771288 0.191961 Te\n0.250000 0.228712 0.808039 Te\n0.250000 0.728712 0.691961 Te\n0.250000 0.591302 0.364778 Te\n0.750000 0.551586 0.830730 I\n0.750000 0.051586 0.669271 I\n0.250000 0.948414 0.330730 I\n0.250000 0.448414 0.169271 I\n",
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{
"id": "jvasp-57080",
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}