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{
"id": "mp-1187294",
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"structure_string": "Tb3 Ho1\n1.0\n-2.508306 2.508306 5.037753\n2.508306 -2.508306 5.037753\n2.508306 2.508306 -5.037753\nTb Ho\n3 1\ndirect\n0.750000 0.250000 0.500000 Tb\n0.250000 0.750000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Ho\n",
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{
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{
"id": "mp-12773",
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"volume": 126.7769382808488,
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"formula_full": "Zr4 Al2",
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"spacegroup": 140
},
{
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"created_at": "2022-09-04T14:41:17.443353Z",
"structure_string": "Tm2 Co2 Si4\n1.0\n1.979756 -8.098134 0.000000\n1.979756 8.098134 0.000000\n0.000000 0.000000 3.953696\nTm Co Si\n2 2 4\ndirect\n0.606913 0.393087 0.250000 Tm\n0.393087 0.606913 0.750000 Tm\n0.821985 0.178015 0.250000 Co\n0.178015 0.821985 0.750000 Co\n0.958230 0.041770 0.250000 Si\n0.041770 0.958230 0.750000 Si\n0.249680 0.750320 0.250000 Si\n0.750320 0.249680 0.750000 Si\n",
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"volume": 126.77391304364386,
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"formula_full": "Tm2 Co2 Si4",
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{
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"structure_string": "Th2 Si2 Ir2\n1.0\n4.022440 0.000000 0.000000\n0.000000 4.156193 0.000000\n2.011221 2.078097 7.582968\nTh Si Ir\n2 2 2\ndirect\n0.752990 0.252990 0.494021 Th\n0.997010 0.997010 0.005979 Th\n0.165659 0.665659 0.668682 Si\n0.584341 0.584341 0.831318 Si\n0.321688 0.821688 0.356625 Ir\n0.428312 0.428312 0.143375 Ir\n",
"nsites": 6,
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"elements": [
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"density": 11.850048283417571,
"density_atomic": 0.04732893649877322,
"volume": 126.7723393733033,
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"formula_full": "Th2 Si2 Ir2",
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{
"id": "mp-20661",
"created_at": "2022-09-04T14:46:00.924300Z",
"structure_string": "Ti4 Pb2 C2\n1.0\n1.613301 -2.794320 0.000000\n1.613301 2.794320 0.000000\n0.000000 0.000000 14.060364\nTi Pb C\n4 2 2\ndirect\n0.666667 0.333333 0.923210 Ti\n0.333333 0.666667 0.076790 Ti\n0.333333 0.666667 0.423210 Ti\n0.666667 0.333333 0.576790 Ti\n0.333333 0.666667 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.0631061790235046,
"volume": 126.77047040069263,
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"spacegroup": 194
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{
"id": "mp-1239136",
"created_at": "2022-09-04T14:46:29.993172Z",
"structure_string": "Hf1 Cr1 Cu1 S4\n1.0\n1.787891 6.560725 0.000000\n-1.787891 6.560725 0.000000\n0.000000 2.700440 5.403748\nHf Cr Cu S\n1 1 1 4\ndirect\n0.243862 0.243862 0.744479 Hf\n0.756316 0.756316 0.257343 Cr\n0.499508 0.499508 0.484188 Cu\n0.375519 0.375519 0.287784 S\n0.620340 0.620340 0.699214 S\n0.868797 0.868797 0.808760 S\n0.135658 0.135658 0.218232 S\n",
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"volume": 126.77042779394257,
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"formula_full": "Hf1 Cr1 Cu1 S4",
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"formula_anonymous": "ABCD4",
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{
"id": "mp-1235464",
"created_at": "2022-09-04T14:48:22.634055Z",
"structure_string": "Ba1 Li1 Y1 Cu2 O5\n1.0\n4.008727 0.078267 -0.004991\n0.078257 4.009635 -0.004753\n-0.009759 -0.009277 7.889768\nBa Li Y Cu O\n1 1 1 2 5\ndirect\n0.030983 0.031007 0.965805 Ba\n0.345976 0.345919 0.464749 Li\n0.929193 0.929122 0.465606 Y\n0.520332 0.520409 0.716185 Cu\n0.520184 0.520168 0.214726 Cu\n0.009748 0.488451 0.643373 O\n0.488455 0.009748 0.643396 O\n0.009955 0.488141 0.287672 O\n0.487986 0.009873 0.287710 O\n0.507183 0.507157 0.965363 O\n",
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"formula_full": "Ba1 Li1 Y1 Cu2 O5",
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{
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"structure_string": "Ni3 As3 Pd3\n1.0\n3.123482 -5.410029 0.000000\n3.123482 5.410029 0.000000\n0.000000 0.000000 3.750806\nNi As Pd\n3 3 3\ndirect\n0.000000 0.745454 0.000000 Ni\n0.254546 0.254546 0.000000 Ni\n0.745454 0.000000 0.000000 Ni\n0.333333 0.666667 0.000000 As\n0.666667 0.333333 0.000000 As\n0.000000 0.000000 0.500000 As\n0.000000 0.404651 0.500000 Pd\n0.595349 0.595349 0.500000 Pd\n0.404651 0.000000 0.500000 Pd\n",
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{
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{
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"structure_string": "Ca1 Mn1 F6\n1.0\n5.009743 -2.776549 0.000000\n5.009743 2.776549 0.000000\n3.470897 0.000000 4.556272\nCa Mn F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mn\n0.686135 0.870418 0.219231 F\n0.870418 0.219231 0.686135 F\n0.780769 0.313865 0.129582 F\n0.129582 0.780769 0.313865 F\n0.313865 0.129582 0.780769 F\n0.219231 0.686135 0.870418 F\n",
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{
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"structure_string": "Ba1 Y2 Ni1 O5\n1.0\n3.646854 0.000000 -1.078711\n-0.748046 5.185644 -2.528956\n-0.000989 0.004174 6.700563\nBa Y Ni O\n1 2 1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.796670 0.296670 0.593340 Y\n0.203331 0.703331 0.406660 Y\n0.500001 0.500000 0.000001 Ni\n0.350630 0.110077 0.701261 O\n0.649370 0.889924 0.298739 O\n0.649369 0.408815 0.298739 O\n0.350631 0.591184 0.701260 O\n0.000000 0.500000 0.000000 O\n",
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]
}