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{
"id": "jvasp-118476",
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"structure_string": "H1 S1 O1\n1.0\n3.528899 0.000000 -0.000000\n-1.764450 3.056116 0.000000\n0.000000 -0.000000 2.753738\nH S O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.666667 0.333333 0.000000 S\n0.333334 0.666667 0.000000 O\n",
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{
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"structure_string": "Zr1 Ti1\n1.0\n1.545276 -2.676495 -0.000000\n1.545276 2.676495 -0.000000\n0.000000 -0.000000 4.883634\nZr Ti\n1 1\ndirect\n0.333335 0.666668 0.749999 Zr\n0.666668 0.333335 0.250000 Ti\n",
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{
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"updated_at": "2022-09-04T14:38:51.027029Z",
"structure_string": "Li6 Cr2 Cl2 O8\n1.0\n6.734423 -0.000000 0.000000\n0.000000 6.734423 0.000000\n-0.000000 -0.000000 4.789999\nLi Cr Cl O\n6 2 2 8\ndirect\n0.500000 0.000000 0.156141 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n-0.000000 0.500000 0.843859 Li\n0.250000 0.750000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.322447 Cl\n0.500000 0.000000 0.677553 Cl\n0.196453 0.000000 0.210373 O\n0.803547 0.000000 0.210373 O\n-0.000000 0.196453 0.789627 O\n0.500000 0.303547 0.210373 O\n0.303547 0.500000 0.789627 O\n0.696452 0.500000 0.789627 O\n0.500000 0.696452 0.210373 O\n-0.000000 0.803547 0.789627 O\n",
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"formula_full": "Li6 Cr2 Cl2 O8",
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{
"id": "jvasp-119475",
"created_at": "2022-09-04T14:38:51.021936Z",
"updated_at": "2022-09-04T14:38:51.021966Z",
"structure_string": "Zr3 Mn8 Si1\n1.0\n4.825721 0.000000 0.000000\n-2.412861 4.179197 0.000000\n-0.000000 -0.000000 8.008928\nZr Mn Si\n3 8 1\ndirect\n0.333334 0.666667 0.556156 Zr\n0.333334 0.666667 0.935332 Zr\n0.000000 0.000000 0.079452 Zr\n0.666667 0.333334 0.498280 Mn\n0.666667 0.333334 0.988866 Mn\n0.495854 0.504147 0.256096 Mn\n0.495854 0.991709 0.256096 Mn\n0.008292 0.504147 0.256096 Mn\n0.840964 0.159036 0.744794 Mn\n0.840964 0.681930 0.744794 Mn\n0.318071 0.159036 0.744794 Mn\n0.000000 0.000000 0.439306 Si\n",
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],
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"density": 7.62063761600466,
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"volume": 161.52116648684205,
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"formula_full": "Zr3 Mn8 Si1",
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{
"id": "jvasp-118282",
"created_at": "2022-09-04T14:38:51.019294Z",
"updated_at": "2022-09-04T14:38:51.019314Z",
"structure_string": "Mn1 Zn1 F1\n1.0\n4.254548 0.000000 0.000000\n-2.127274 3.684546 -0.000000\n-0.000000 0.000000 2.385432\nMn Zn F\n1 1 1\ndirect\n0.333335 0.666668 0.000000 Mn\n0.666668 0.333334 0.000000 Zn\n0.000000 0.000000 0.000000 F\n",
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"volume": 37.39421765488726,
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{
"id": "jvasp-116481",
"created_at": "2022-09-04T14:38:51.016990Z",
"updated_at": "2022-09-04T14:38:51.017011Z",
"structure_string": "Rb1 Hg3 N1 Cl8 O2\n1.0\n10.213231 0.017539 2.568568\n9.382160 4.035527 2.568568\n-0.433244 -0.089611 8.961030\nRb Hg N Cl O\n1 3 1 8 2\ndirect\n0.519719 0.519720 0.793517 Rb\n0.031245 0.031245 0.314972 Hg\n0.856530 0.856532 0.192170 Hg\n0.205300 0.205301 0.448228 Hg\n0.694843 0.694845 0.024360 N\n0.249815 0.249816 0.165670 Cl\n0.803991 0.803993 0.464673 Cl\n0.158918 0.158918 0.720181 Cl\n0.875570 0.875572 0.909652 Cl\n0.614713 0.614715 0.408804 Cl\n0.091552 0.091552 0.054193 Cl\n0.446462 0.446463 0.183539 Cl\n0.961909 0.961911 0.560692 Cl\n0.317881 0.317882 0.813079 O\n0.721842 0.721844 0.902673 O\n",
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{
"id": "jvasp-118384",
"created_at": "2022-09-04T14:38:51.016064Z",
"updated_at": "2022-09-04T14:38:51.016095Z",
"structure_string": "Ga2 P1\n1.0\n5.974336 0.869302 -1.103112\n1.800130 -3.378618 0.015677\n2.850629 1.506434 -3.427868\nGa P\n2 1\ndirect\n0.490885 0.507339 0.756779 Ga\n0.991010 0.507809 0.628009 Ga\n0.991019 0.007949 0.942272 P\n",
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{
"id": "jvasp-119076",
"created_at": "2022-09-04T14:38:51.014485Z",
"updated_at": "2022-09-04T14:38:51.014522Z",
"structure_string": "Sm3 As6 Pd9\n1.0\n8.254292 0.009672 2.575735\n7.224219 3.993005 2.575735\n-0.026816 -0.006935 10.078946\nSm As Pd\n3 6 9\ndirect\n0.847119 0.847119 0.698549 Sm\n0.152881 0.152881 0.301453 Sm\n0.000000 0.000000 0.000000 Sm\n0.636642 0.636641 0.545318 As\n0.460336 0.460337 0.789276 As\n0.363358 0.363358 0.454683 As\n0.198658 0.198660 0.869164 As\n0.801342 0.801340 0.130837 As\n0.539663 0.539662 0.210725 As\n0.680220 0.680218 0.034613 Pd\n0.957997 0.957995 0.332426 Pd\n0.042003 0.042005 0.667576 Pd\n0.778729 0.778728 0.389026 Pd\n0.221271 0.221272 0.610976 Pd\n0.378496 0.378495 0.197793 Pd\n0.621504 0.621505 0.802208 Pd\n0.500000 0.500000 0.500001 Pd\n0.319780 0.319782 0.965389 Pd\n",
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"density": 9.300971949474977,
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"formula_full": "Sm3 As6 Pd9",
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{
"id": "jvasp-113702",
"created_at": "2022-09-04T14:38:51.012842Z",
"updated_at": "2022-09-04T14:38:51.012871Z",
"structure_string": "Mo1 Cl2\n1.0\n3.133293 0.161336 -0.442810\n-0.938148 -6.959508 1.702228\n1.331575 -1.509045 -2.451755\nMo Cl\n1 2\ndirect\n-0.019854 0.860657 0.100334 Mo\n0.392581 0.600010 0.025038 Cl\n0.567705 0.121300 0.175642 Cl\n",
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{
"id": "jvasp-123439",
"created_at": "2022-09-04T14:38:51.006683Z",
"updated_at": "2022-09-04T14:38:51.006709Z",
"structure_string": "Zr1 Si1\n1.0\n1.592569 -2.758407 -0.000000\n1.592569 2.758407 -0.000000\n0.000000 0.000000 4.313621\nZr Si\n1 1\ndirect\n0.333334 0.666667 0.750000 Zr\n0.666667 0.333334 0.250000 Si\n",
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{
"id": "jvasp-111031",
"created_at": "2022-09-04T14:38:51.000426Z",
"updated_at": "2022-09-04T14:38:51.000452Z",
"structure_string": "Mn2 Cr1 I6\n1.0\n4.107941 -0.054301 0.056018\n2.102444 3.529569 0.056018\n-0.271333 -0.151835 20.424617\nMn Cr I\n2 1 6\ndirect\n0.334849 0.334849 0.332248 Mn\n0.665151 0.665150 0.667752 Mn\n0.000000 0.000000 0.000000 Cr\n0.998417 0.998417 0.749718 I\n0.333789 0.333790 0.079007 I\n0.667930 0.667931 0.413848 I\n0.666211 0.666210 0.920994 I\n0.001583 0.001582 0.250283 I\n0.332069 0.332069 0.586152 I\n",
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{
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"created_at": "2022-09-04T14:38:50.997734Z",
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"structure_string": "Li6 Co8 O16\n1.0\n4.916123 -0.015896 2.802225\n-1.611539 9.346009 -2.833104\n0.031248 0.007894 5.658719\nLi Co O\n6 8 16\ndirect\n0.500280 0.000006 0.999995 Li\n0.999719 0.499993 0.500006 Li\n0.000040 -0.000002 0.499720 Li\n0.499959 0.500001 0.000280 Li\n0.499768 -0.000009 0.500241 Li\n0.000231 0.500009 -0.000240 Li\n0.250004 0.250000 0.750000 Co\n0.250003 0.250000 0.249998 Co\n0.750000 0.250000 0.250001 Co\n0.750001 0.750001 0.250002 Co\n0.250001 0.750001 0.750000 Co\n0.250000 0.750001 0.250002 Co\n0.750002 0.250000 0.750001 Co\n0.750002 0.750000 0.749999 Co\n0.879692 0.144205 0.879685 O\n0.884823 0.644201 0.379687 O\n0.384828 0.144203 0.879705 O\n0.120326 0.855794 0.120299 O\n0.620304 0.355794 0.620317 O\n0.379672 0.644205 0.379703 O\n0.615174 0.855798 0.120316 O\n0.380253 0.140769 0.380264 O\n0.379688 0.644204 0.884843 O\n0.879677 0.144204 0.384840 O\n0.619750 0.859227 0.619731 O\n0.119744 0.359230 0.119737 O\n0.880249 0.640771 0.880272 O\n0.620320 0.355795 0.115162 O\n0.115169 0.355797 0.620297 O\n0.120311 0.855794 0.615158 O\n",
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