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{
"id": "jvasp-106310",
"created_at": "2022-09-04T14:38:17.400949Z",
"updated_at": "2022-09-04T14:38:17.400979Z",
"structure_string": "Zr1 Ti1 C1 N1\n1.0\n3.041839 -0.000578 4.567602\n1.381309 2.710123 4.567602\n-0.000943 -0.000578 5.487783\nZr Ti C N\n1 1 1 1\ndirect\n0.250187 0.250186 0.250187 Zr\n0.748782 0.748777 0.748779 Ti\n0.005499 0.005499 0.005499 C\n0.495536 0.495533 0.495534 N\n",
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{
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{
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"updated_at": "2022-09-04T14:38:10.830496Z",
"structure_string": "Li2 Ti3 Fe1 O8\n1.0\n-0.037951 4.172356 4.172356\n4.172356 -0.037951 4.172356\n4.172356 4.172356 -0.037951\nLi Ti Fe O\n2 3 1 8\ndirect\n0.119910 0.119910 0.119910 Li\n0.500032 0.500032 0.500032 Li\n0.498432 0.008323 0.498432 Ti\n0.498432 0.498432 0.008323 Ti\n0.008323 0.498432 0.498432 Ti\n0.882354 0.882354 0.882354 Fe\n0.259007 0.259007 0.259007 O\n0.712696 0.251535 0.251535 O\n0.251535 0.712696 0.251535 O\n0.251535 0.251535 0.712696 O\n0.746522 0.746522 0.281484 O\n0.746522 0.281484 0.746522 O\n0.281484 0.746522 0.746522 O\n0.743224 0.743224 0.743224 O\n",
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"formula_full": "Li2 Ti3 Fe1 O8",
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{
"id": "jvasp-57300",
"created_at": "2022-09-04T14:38:17.316112Z",
"updated_at": "2022-09-04T14:38:17.316122Z",
"structure_string": "K4 Na2 Fe2 O6\n1.0\n6.303675 0.000000 -0.000000\n-3.151837 5.466502 0.000000\n0.000000 0.000000 6.690956\nK Na Fe O\n4 2 2 6\ndirect\n0.250000 0.000000 0.661571 K\n0.749999 0.000000 0.338429 K\n0.749999 0.500000 0.000000 K\n0.250000 0.500000 0.000000 K\n0.250000 0.500000 0.500000 Na\n0.749999 0.500000 0.500000 Na\n0.250000 0.000000 0.168254 Fe\n0.749999 0.000000 0.831747 Fe\n0.894930 0.289860 0.685051 O\n0.500000 0.000000 0.000000 O\n0.605068 0.710139 0.685051 O\n0.105069 0.710139 0.314950 O\n0.000000 0.000000 0.000000 O\n0.394930 0.289860 0.314950 O\n",
"nsites": 14,
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"formula_full": "K4 Na2 Fe2 O6",
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{
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"created_at": "2022-09-04T14:38:17.080451Z",
"updated_at": "2022-09-04T14:38:17.080472Z",
"structure_string": "K1 Au1 I4 O12\n1.0\n5.630000 -0.018352 0.031332\n-2.718931 6.678775 -0.030636\n-0.467908 -2.477140 7.699279\nK Au I O\n1 1 4 12\ndirect\n0.201934 0.100963 0.885005 K\n0.397761 0.096620 0.374809 Au\n0.504889 0.780094 0.580474 I\n0.886059 0.410969 0.234321 I\n0.820656 0.444467 0.742436 I\n0.516819 0.747542 0.063209 I\n0.299398 0.898372 0.133151 O\n0.690376 0.438946 0.945206 O\n0.655808 0.763780 0.277700 O\n0.225916 0.499462 0.004676 O\n0.857785 0.151628 0.110883 O\n0.250887 0.855891 0.473188 O\n0.825388 0.700260 0.747358 O\n0.531835 0.337880 0.274740 O\n0.472024 0.299546 0.613708 O\n0.349030 0.769926 0.772626 O\n0.764184 0.044458 0.662243 O\n0.027251 0.419941 0.447890 O\n",
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{
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"created_at": "2022-09-04T14:38:28.384806Z",
"updated_at": "2022-09-04T14:38:28.384836Z",
"structure_string": "Fe1 Cu2 C6 N6\n1.0\n6.235810 -0.000000 3.600247\n2.078603 5.879177 3.600247\n0.000000 -0.000000 7.200493\nFe Cu C N\n1 2 6 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Cu\n0.500000 0.500000 0.500000 Cu\n0.185336 0.814663 0.185337 C\n0.814663 0.185337 0.814663 C\n0.185336 0.814663 0.814663 C\n0.814663 0.185337 0.185337 C\n0.185337 0.185337 0.814663 C\n0.814663 0.814663 0.185338 C\n0.300247 0.699753 0.699753 N\n0.699753 0.300247 0.699753 N\n0.300247 0.699753 0.300247 N\n0.699753 0.300247 0.300247 N\n0.300247 0.300247 0.699753 N\n0.699753 0.699753 0.300248 N\n",
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{
"id": "jvasp-109232",
"created_at": "2022-09-04T14:38:17.089497Z",
"updated_at": "2022-09-04T14:38:17.089514Z",
"structure_string": "K2 Rb1 In1 F6\n1.0\n5.717487 -0.000000 3.300993\n1.905829 5.390499 3.300993\n-0.000000 -0.000000 6.601986\nK Rb In F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.776376 0.223624 0.223624 F\n0.223625 0.223624 0.776376 F\n0.223625 0.776376 0.776375 F\n0.223625 0.776376 0.223624 F\n0.776376 0.223624 0.776375 F\n0.776376 0.776376 0.223624 F\n",
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{
"id": "jvasp-29423",
"created_at": "2022-09-04T14:38:10.620357Z",
"updated_at": "2022-09-04T14:38:10.620386Z",
"structure_string": "U2 Tl4 Te4 O16\n1.0\n7.012296 0.019719 -2.192897\n-2.595111 7.491403 -0.567705\n0.029388 0.008683 8.924982\nU Tl Te O\n2 4 4 16\ndirect\n0.107825 0.937727 0.714687 U\n0.892175 0.062272 0.285312 U\n0.034004 0.421374 0.683848 Tl\n0.293877 0.417348 0.084994 Tl\n0.706124 0.582652 0.915005 Tl\n0.965997 0.578626 0.316151 Tl\n0.339135 0.908892 0.135525 Te\n0.660866 0.091107 0.864474 Te\n0.406115 0.284954 0.487583 Te\n0.593886 0.715045 0.512416 Te\n0.838886 0.218137 0.067629 O\n0.995101 0.087160 0.804678 O\n0.172744 0.137839 0.549197 O\n0.689506 0.284289 0.751751 O\n0.816090 0.707418 0.692050 O\n0.310494 0.715710 0.248248 O\n0.161115 0.781862 0.932370 O\n0.418831 0.496344 0.614193 O\n0.004900 0.912839 0.195320 O\n0.183911 0.292581 0.307949 O\n0.227304 0.800043 0.622078 O\n0.772696 0.199956 0.377921 O\n0.410316 0.108137 0.886785 O\n0.589685 0.891863 0.113214 O\n0.581170 0.503655 0.385806 O\n0.827257 0.862160 0.450801 O\n",
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{
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"created_at": "2022-09-04T14:38:16.820386Z",
"updated_at": "2022-09-04T14:38:16.820419Z",
"structure_string": "Ag2 Bi2 Se1 S3\n1.0\n5.255809 0.005153 -4.682387\n-1.004397 5.062607 -4.786386\n-0.007033 -0.005153 7.039050\nAg Bi Se S\n2 2 1 3\ndirect\n0.993459 0.993460 -0.000001 Ag\n0.252351 0.752351 0.500000 Ag\n0.505022 0.505023 -0.000001 Bi\n0.752772 0.252771 0.500000 Bi\n0.245910 0.245910 -0.000000 Se\n0.503545 0.003544 0.500000 S\n0.749110 0.749111 -0.000001 S\n0.997831 0.497831 0.499999 S\n",
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"structure_string": "Fe2 Ni2 P4 O16\n1.0\n0.000000 4.732915 -0.021332\n5.735550 0.000000 0.000000\n0.000000 0.010993 -9.692121\nFe Ni P O\n2 2 4 16\ndirect\n0.061780 0.750000 0.271287 Fe\n0.938219 0.250000 0.728713 Fe\n0.567523 0.250000 0.224003 Ni\n0.432476 0.750000 0.775996 Ni\n0.615676 0.750000 0.085208 P\n0.107827 0.250000 0.406090 P\n0.892171 0.750000 0.593909 P\n0.384322 0.250000 0.914792 P\n0.232780 0.040760 0.839452 O\n0.232780 0.459240 0.839452 O\n0.738366 0.539587 0.666841 O\n0.738366 0.960413 0.666841 O\n0.212125 0.750000 0.614389 O\n0.162615 0.250000 0.561967 O\n0.837383 0.750000 0.438032 O\n0.767218 0.540761 0.160548 O\n0.261633 0.460413 0.333158 O\n0.261633 0.039587 0.333158 O\n0.702272 0.250000 0.887607 O\n0.767218 0.959240 0.160548 O\n0.297726 0.750000 0.112393 O\n0.322004 0.250000 0.069458 O\n0.787873 0.250000 0.385610 O\n0.677995 0.750000 0.930541 O\n",
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{
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"structure_string": "La2 Mg1 Fe1 O6\n1.0\n4.762778 0.025884 2.622944\n1.549909 4.505587 2.619864\n0.022434 0.019748 5.437333\nLa Mg Fe O\n2 1 1 6\ndirect\n0.750723 0.750715 0.750725 La\n0.249278 0.249285 0.249272 La\n0.500000 0.500001 0.499998 Mg\n0.000001 -0.000004 0.000002 Fe\n0.297011 0.761533 0.184994 O\n0.761577 0.184976 0.297034 O\n0.185008 0.297004 0.761588 O\n0.702987 0.238469 0.815003 O\n0.814992 0.702998 0.238410 O\n0.238423 0.815025 0.702964 O\n",
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{
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"created_at": "2022-09-04T14:38:28.794102Z",
"updated_at": "2022-09-04T14:38:28.794122Z",
"structure_string": "Rb2 Br1 Cl6 F1\n1.0\n-0.000000 5.043352 5.043352\n5.043352 -0.000000 5.043352\n5.043352 5.043352 0.000000\nRb Br Cl F\n2 1 6 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Br\n0.254188 0.745812 0.745812 Cl\n0.254188 0.745812 0.254188 Cl\n0.745812 0.254188 0.745812 Cl\n0.745812 0.745812 0.254188 Cl\n0.254188 0.254188 0.745812 Cl\n0.745812 0.254188 0.254188 Cl\n0.000000 0.000000 0.000000 F\n",
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}
]
}