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{
"id": "jvasp-14231",
"created_at": "2022-09-04T14:37:07.351690Z",
"updated_at": "2022-09-04T14:37:07.351720Z",
"structure_string": "Rb6 Mo4 Br18\n1.0\n3.730938 -6.462175 -0.000000\n3.730938 6.462175 0.000000\n-0.000000 0.000000 18.103093\nRb Mo Br\n6 4 18\ndirect\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.333333 0.666667 0.930835 Rb\n0.666667 0.333333 0.430835 Rb\n0.333333 0.666667 0.569165 Rb\n0.666667 0.333333 0.069165 Rb\n0.333333 0.666667 0.328299 Mo\n0.666667 0.333333 0.828299 Mo\n0.333333 0.666667 0.171701 Mo\n0.666667 0.333333 0.671701 Mo\n0.170852 0.341704 0.409828 Br\n-0.009108 0.495446 0.250000 Br\n0.495446 0.504554 0.750000 Br\n0.495446 -0.009108 0.750000 Br\n0.504554 0.009108 0.250000 Br\n0.504554 0.495446 0.250000 Br\n0.009108 0.504554 0.750000 Br\n0.829149 0.658297 0.909828 Br\n0.170852 0.341704 0.090171 Br\n0.658297 0.829149 0.090171 Br\n0.170852 0.829149 0.090171 Br\n0.658297 0.829149 0.409828 Br\n0.341704 0.170852 0.909828 Br\n0.829149 0.658297 0.590171 Br\n0.341704 0.170852 0.590171 Br\n0.829149 0.170852 0.590171 Br\n0.829149 0.170852 0.909828 Br\n0.170852 0.829149 0.409828 Br\n",
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{
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"structure_string": "Y2 Mg4\n1.0\n5.191783 -0.000000 2.997477\n1.730594 4.894860 2.997477\n-0.000000 -0.000000 5.994954\nY Mg\n2 4\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Y\n0.625000 0.125000 0.625000 Mg\n0.624999 0.625000 0.625001 Mg\n0.124999 0.625000 0.625000 Mg\n0.624999 0.625000 0.125001 Mg\n",
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"elements": [
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{
"id": "jvasp-90789",
"created_at": "2022-09-04T14:36:04.895887Z",
"updated_at": "2022-09-04T14:36:04.895917Z",
"structure_string": "Mg3 Ga1 O4\n1.0\n4.344240 0.000000 0.000000\n0.000000 4.344240 0.000000\n-0.000000 -0.000000 4.344240\nMg Ga O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
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"density": 4.185167198042181,
"density_atomic": 0.09757724604842402,
"volume": 81.98632697657702,
"volume_molar": 6.171665018104151,
"formula_full": "Mg3 Ga1 O4",
"formula_reduced": "Mg3GaO4",
"formula_anonymous": "AB3C4",
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"spacegroup": 221
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{
"id": "jvasp-22704",
"created_at": "2022-09-04T14:35:54.943352Z",
"updated_at": "2022-09-04T14:35:54.943372Z",
"structure_string": "Ca3 Cd1 O4\n1.0\n0.000000 2.405916 2.405916\n-4.793521 2.384990 -2.384990\n-4.793521 -2.384990 2.384990\nCa Cd O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500001 -0.000000 0.500000 Ca\n0.500001 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.746299 0.746299 O\n0.500001 0.253961 0.746039 O\n0.500001 0.746039 0.253961 O\n0.000000 0.253701 0.253701 O\n",
"nsites": 8,
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"formula_full": "Ca3 Cd1 O4",
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"formula_anonymous": "AB3C4",
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"spacegroup": 65
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{
"id": "jvasp-17505",
"created_at": "2022-09-04T14:38:29.705122Z",
"updated_at": "2022-09-04T14:38:29.705149Z",
"structure_string": "Yb3 In1 C1\n1.0\n4.987647 0.000000 0.000000\n0.000000 4.987647 0.000000\n-0.000000 -0.000000 4.987647\nYb In C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 C\n",
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{
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"created_at": "2022-09-04T14:36:30.883678Z",
"updated_at": "2022-09-04T14:36:30.883688Z",
"structure_string": "Y1 Cd1\n1.0\n3.725211 0.000000 -0.000000\n-0.000000 3.725211 -0.000000\n-0.000000 0.000000 3.725211\nY Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "jvasp-100310",
"created_at": "2022-09-04T14:36:31.412809Z",
"updated_at": "2022-09-04T14:36:31.412829Z",
"structure_string": "Ag3 Sb1 Te4\n1.0\n5.991922 0.000000 0.000000\n-0.000000 5.991922 0.000000\n-0.000000 -0.000000 5.991922\nAg Sb Te\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Sb\n0.500000 0.000000 0.000000 Te\n0.000000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
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"volume": 215.1287500463895,
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"formula_full": "Ag3 Sb1 Te4",
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"spacegroup": 221
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{
"id": "jvasp-91615",
"created_at": "2022-09-04T14:36:07.392368Z",
"updated_at": "2022-09-04T14:36:07.392398Z",
"structure_string": "Dy4 Pt4\n1.0\n0.000000 4.498892 0.000000\n0.000000 -0.000000 5.563415\n7.022568 0.000000 0.000000\nDy Pt\n4 4\ndirect\n0.250000 0.357172 0.682525 Dy\n0.250000 0.142828 0.182524 Dy\n0.750000 0.642829 0.317476 Dy\n0.750000 0.857173 0.817476 Dy\n0.250000 0.840845 0.545028 Pt\n0.250000 0.659156 0.045028 Pt\n0.750000 0.159156 0.454972 Pt\n0.750000 0.340845 0.954972 Pt\n",
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"formula_full": "Dy4 Pt4",
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"spacegroup": 62
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{
"id": "jvasp-106506",
"created_at": "2022-09-04T14:36:50.881085Z",
"updated_at": "2022-09-04T14:36:50.881104Z",
"structure_string": "Ce2 Sn1 Hg1\n1.0\n4.713660 -0.000000 2.721433\n1.571220 4.444081 2.721433\n0.000000 0.000000 5.442865\nCe Sn Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Hg\n",
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"spacegroup": 225
},
{
"id": "jvasp-42669",
"created_at": "2022-09-04T14:36:15.432348Z",
"updated_at": "2022-09-04T14:36:15.432375Z",
"structure_string": "Na8 Sn1 O6\n1.0\n6.309540 0.000001 0.000000\n-3.154770 1.821406 5.639931\n3.154771 -5.464221 -0.000000\nNa Sn O\n8 1 6\ndirect\n0.340834 0.022503 0.340834 Na\n0.093257 0.346683 0.499289 Na\n0.245862 0.653317 0.906743 Na\n0.500711 0.653317 0.245861 Na\n0.499290 0.346683 0.754138 Na\n0.754139 0.346683 0.093256 Na\n0.906744 0.653317 0.500710 Na\n0.659166 0.977497 0.659165 Na\n0.000000 0.000000 0.000000 Sn\n0.221345 0.781059 0.646819 O\n0.353180 0.218941 0.087106 O\n0.087106 0.218941 0.778655 O\n0.912894 0.781059 0.221345 O\n0.646820 0.781059 0.912893 O\n0.778655 0.218941 0.353180 O\n",
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{
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"created_at": "2022-09-04T14:38:27.630933Z",
"updated_at": "2022-09-04T14:38:27.630951Z",
"structure_string": "Na1 Cu1 O2\n1.0\n2.982529 0.050552 4.645714\n1.400725 2.633628 4.645714\n0.082552 0.050552 5.520084\nNa Cu O\n1 1 2\ndirect\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cu\n0.266041 0.266041 0.266041 O\n0.733957 0.733958 0.733959 O\n",
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{
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"structure_string": "Ga1 Cu1 O2\n1.0\n1.476838 0.852653 5.687220\n-1.476838 0.852653 5.687220\n-0.000000 -1.705306 5.687220\nGa Cu O\n1 1 2\ndirect\n0.997318 0.997318 0.997324 Ga\n0.159577 0.159577 0.159578 Cu\n0.271981 0.271981 0.271983 O\n0.730121 0.730121 0.730125 O\n",
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