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{
"id": "oqmd-90707",
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"structure_string": "Ta12 Pt36\n1.0\n27.569994 0.000000 -0.004359\n0.000000 5.585703 0.000000\n-0.043641 0.000000 4.912171\nPt Ta\n36 12\ndirect\n0.790686 0.250001 0.001351 Pt\n0.374731 0.750000 0.016370 Pt\n0.958064 0.501163 0.162263 Pt\n0.958064 0.998838 0.162263 Pt\n0.125660 0.001330 0.165427 Pt\n0.125660 0.498670 0.165427 Pt\n0.541018 0.501274 0.167933 Pt\n0.541018 0.998725 0.167933 Pt\n0.708579 0.001174 0.171132 Pt\n0.708579 0.498825 0.171132 Pt\n0.291960 0.250001 0.316781 Pt\n0.875984 0.750000 0.332091 Pt\n0.457322 0.250001 0.334509 Pt\n0.041406 0.750000 0.349819 Pt\n0.624740 0.501144 0.495777 Pt\n0.624740 0.998856 0.495777 Pt\n0.792340 0.001314 0.498788 Pt\n0.792340 0.498686 0.498788 Pt\n0.207660 0.501314 0.501211 Pt\n0.207660 0.998686 0.501211 Pt\n0.375260 0.001144 0.504224 Pt\n0.375260 0.498856 0.504224 Pt\n0.958594 0.250001 0.650183 Pt\n0.542677 0.750000 0.665491 Pt\n0.124016 0.250001 0.667911 Pt\n0.708040 0.750000 0.683218 Pt\n0.291421 0.501174 0.828868 Pt\n0.291421 0.998826 0.828868 Pt\n0.458982 0.001275 0.832066 Pt\n0.458982 0.498725 0.832066 Pt\n0.874340 0.501330 0.834572 Pt\n0.874340 0.998670 0.834572 Pt\n0.041936 0.001162 0.837736 Pt\n0.041936 0.498838 0.837736 Pt\n0.625268 0.250001 0.983629 Pt\n0.209314 0.750000 0.998651 Pt\n0.208997 0.250001 0.003917 Ta\n0.374183 0.250001 0.004251 Ta\n0.292484 0.750000 0.328886 Ta\n0.457638 0.750000 0.329275 Ta\n0.875672 0.250001 0.337319 Ta\n0.040873 0.250001 0.337700 Ta\n0.959127 0.750000 0.662302 Ta\n0.124328 0.750000 0.662681 Ta\n0.542362 0.250001 0.670727 Ta\n0.707516 0.250001 0.671115 Ta\n0.625817 0.750000 0.995749 Ta\n0.791003 0.750000 0.996083 Ta\n",
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"formula_full": "Ta12 Pt36",
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{
"id": "oqmd-884928",
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"structure_string": "Te2 Rh1 W2\n1.0\n0.000000 3.102287 3.102287\n3.102287 0.000000 3.102287\n3.102287 3.102287 0.000000\nRh Te W\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Te\n0.750000 0.750000 0.750000 Te\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.750000 W\n",
"nsites": 5,
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"elements": [
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"density": 20.182802498759678,
"density_atomic": 0.08373250610601439,
"volume": 59.7139657287871,
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"formula_full": "Te2 Rh1 W2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 225
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{
"id": "oqmd-1136533",
"created_at": "2022-09-04T15:46:05.019455Z",
"updated_at": "2022-09-04T15:46:05.019478Z",
"structure_string": "Hf3 Co1 Tc2\n1.0\n0.000000 3.192017 3.192017\n3.192017 0.000000 3.192017\n3.192017 3.192017 0.000000\nCo Hf Tc\n1 3 2\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 6,
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"elements": [
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"Hf",
"Tc"
],
"chemical_system": "Co-Hf-Tc",
"density": 20.177725148062876,
"density_atomic": 0.09224135368042292,
"volume": 65.04674704566294,
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"formula_full": "Hf3 Co1 Tc2",
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"spacegroup": 225
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{
"id": "oqmd-458183",
"created_at": "2022-09-04T15:02:11.245422Z",
"updated_at": "2022-09-04T15:02:11.245443Z",
"structure_string": "Ta1 Ir2 Pt1\n1.0\n0.000000 3.151211 3.151211\n3.151211 0.000000 3.151211\n3.151211 3.151211 0.000000\nIr Pt Ta\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.249999 0.249999 0.249999 Pt\n0.749999 0.749999 0.749999 Ta\n",
"nsites": 4,
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"elements": [
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"volume": 62.58387460579881,
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"formula_full": "Ta1 Ir2 Pt1",
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{
"id": "oqmd-461829",
"created_at": "2022-09-04T15:02:33.110031Z",
"updated_at": "2022-09-04T15:02:33.110041Z",
"structure_string": "Pu2 Pa1 W1\n1.0\n0.000000 3.336963 3.336963\n3.336963 0.000000 3.336963\n3.336963 3.336963 0.000000\nPa Pu W\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Pa\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Pu\n0.749999 0.749999 0.749999 W\n",
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"elements": [
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"Pu",
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"formula_full": "Pu2 Pa1 W1",
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{
"id": "oqmd-325441",
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"structure_string": "Np2 Re6\n1.0\n5.799448 0.000000 0.000000\n-2.899725 5.022470 0.000000\n0.000000 0.000000 4.496694\nNp Re\n2 6\ndirect\n0.666666 0.333334 0.249999 Np\n0.333334 0.666668 0.750002 Np\n0.165157 0.330314 0.249999 Re\n0.165156 0.834842 0.249999 Re\n0.669685 0.834842 0.249999 Re\n0.330315 0.165158 0.750002 Re\n0.834842 0.165158 0.750002 Re\n0.834842 0.669684 0.750002 Re\n",
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"volume": 130.9776954923298,
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"formula_full": "Np2 Re6",
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{
"id": "oqmd-370441",
"created_at": "2022-09-04T14:52:30.962238Z",
"updated_at": "2022-09-04T14:52:30.962262Z",
"structure_string": "Re1 Hg1 Os2\n1.0\n0.000000 3.160842 3.160842\n3.160842 0.000000 3.160842\n3.160842 3.160842 0.000000\nHg Os Re\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n0.750000 0.750000 0.750000 Re\n",
"nsites": 4,
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"elements": [
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"Os",
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"density": 20.17212259244706,
"density_atomic": 0.06333177108670132,
"volume": 63.159452694351344,
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{
"id": "oqmd-460743",
"created_at": "2022-09-04T15:02:29.337817Z",
"updated_at": "2022-09-04T15:02:29.337842Z",
"structure_string": "Pu2 Np1 U1\n1.0\n0.000000 3.409624 3.409624\n3.409624 0.000000 3.409624\n3.409624 3.409624 0.000000\nNp Pu U\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Np\n0.000000 0.000000 0.000000 Pu\n0.499999 0.499999 0.499999 Pu\n0.749999 0.749999 0.749999 U\n",
"nsites": 4,
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"elements": [
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{
"id": "oqmd-885242",
"created_at": "2022-09-04T15:43:09.628929Z",
"updated_at": "2022-09-04T15:43:09.628951Z",
"structure_string": "Ta2 Tc2 Rh1\n1.0\n0.000000 3.007394 3.007394\n3.007394 0.000000 3.007394\n3.007394 3.007394 0.000000\nRh Ta Tc\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Rh\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 5,
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{
"id": "oqmd-442471",
"created_at": "2022-09-04T15:00:11.653586Z",
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"structure_string": "Np1 U2 Re1\n1.0\n0.000000 3.332781 3.332781\n3.332781 0.000000 3.332781\n3.332781 3.332781 0.000000\nNp Re U\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Np\n0.750000 0.750000 0.750000 Re\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 U\n",
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{
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"created_at": "2022-09-04T14:51:11.626622Z",
"updated_at": "2022-09-04T14:51:11.626632Z",
"structure_string": "Hf2 Ir6\n1.0\n5.631179 0.000000 0.000000\n-2.815590 4.876745 0.000000\n0.000000 0.000000 4.528057\nHf Ir\n2 6\ndirect\n0.666668 0.333333 0.249999 Hf\n0.333334 0.666668 0.750002 Hf\n0.162831 0.325662 0.249999 Ir\n0.162832 0.837169 0.249999 Ir\n0.674337 0.837169 0.249999 Ir\n0.325663 0.162832 0.750002 Ir\n0.837169 0.162832 0.750002 Ir\n0.837169 0.674337 0.750002 Ir\n",
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{
"id": "oqmd-461323",
"created_at": "2022-09-04T15:02:32.716203Z",
"updated_at": "2022-09-04T15:02:32.716223Z",
"structure_string": "Pu2 Np1 Mo1\n1.0\n0.000000 3.233197 3.233197\n3.233197 0.000000 3.233197\n3.233197 3.233197 0.000000\nMo Np Pu\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Mo\n0.749999 0.749999 0.749999 Np\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Pu\n",
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