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{
"id": "mp-13861",
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"structure_string": "Hf2 B8 Ir6\n1.0\n3.810615 -6.600178 0.000000\n3.810615 6.600178 0.000000\n0.000000 0.000000 3.525772\nHf B Ir\n2 8 6\ndirect\n0.333333 0.666667 0.250000 Hf\n0.666667 0.333333 0.750000 Hf\n0.050735 0.602080 0.750000 B\n0.551344 0.949265 0.750000 B\n0.397920 0.448656 0.750000 B\n0.949265 0.397920 0.250000 B\n0.448656 0.050735 0.250000 B\n0.602080 0.551344 0.250000 B\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.256524 0.924567 0.750000 Ir\n0.668044 0.743476 0.750000 Ir\n0.075433 0.331956 0.750000 Ir\n0.743476 0.075433 0.250000 Ir\n0.331956 0.256524 0.250000 Ir\n0.924567 0.668044 0.250000 Ir\n",
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{
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"formula_full": "Ni12 W12 C2",
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{
"id": "mp-862824",
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"structure_string": "Pa1 In1 Pt2\n1.0\n0.000000 3.444992 3.444992\n3.444992 0.000000 3.444992\n3.444992 3.444992 0.000000\nPa In Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pa\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
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"formula_full": "Pa1 In1 Pt2",
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{
"id": "mp-1219843",
"created_at": "2022-09-04T14:46:59.197173Z",
"structure_string": "Pu1 U3 W4 C6\n1.0\n0.000000 3.166420 0.000000\n0.230508 0.000000 5.568234\n11.218262 0.000000 2.156309\nPu U W C\n1 3 4 6\ndirect\n0.500000 0.734193 0.103458 Pu\n0.000000 0.230295 0.603890 U\n0.000000 0.770214 0.394255 U\n0.500000 0.268423 0.895059 U\n0.500000 0.286047 0.349763 W\n0.000000 0.781720 0.844868 W\n0.000000 0.223187 0.155676 W\n0.500000 0.714054 0.653161 W\n0.000000 0.492789 0.997149 C\n0.500000 0.997928 0.500736 C\n0.000000 0.503592 0.255492 C\n0.500000 0.005676 0.752680 C\n0.500000 0.000700 0.247126 C\n0.000000 0.491183 0.746687 C\n",
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"volume": 196.21944215958177,
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"formula_full": "Pu1 U3 W4 C6",
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{
"id": "mp-1206819",
"created_at": "2022-09-04T14:47:46.623918Z",
"structure_string": "Zn1 Ir1\n1.0\n1.406065 -2.435377 0.000000\n1.406065 2.435377 0.000000\n0.000000 0.000000 4.180885\nZn Ir\n1 1\ndirect\n0.666667 0.333333 0.500000 Zn\n0.000000 0.000000 0.000000 Ir\n",
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"volume": 28.63319531028166,
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"formula_full": "Zn1 Ir1",
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"energy": -10.48618992,
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"updated_at": "2021-11-28T01:38:21.302000Z",
"spacegroup": 187
},
{
"id": "mp-865020",
"created_at": "2022-09-04T14:47:59.049767Z",
"structure_string": "Hf1 Mg1 Ir2\n1.0\n0.000000 3.195674 3.195674\n3.195674 0.000000 3.195674\n3.195674 3.195674 0.000000\nHf Mg Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"volume": 65.27056971218327,
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"updated_at": "2021-11-28T01:38:21.364000Z",
"spacegroup": 225
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{
"id": "mp-1227015",
"created_at": "2022-09-04T14:43:00.462937Z",
"structure_string": "Ce1 Pu4\n1.0\n13.265170 -1.645319 0.000000\n13.265170 1.645319 0.000000\n13.061096 0.000000 2.842460\nCe Pu\n1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.597426 0.597426 0.597426 Pu\n0.199192 0.199192 0.199192 Pu\n0.800808 0.800808 0.800808 Pu\n0.402574 0.402574 0.402574 Pu\n",
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{
"id": "mp-1217989",
"created_at": "2022-09-04T14:47:04.968246Z",
"structure_string": "Ta4 Co1 Ni1\n1.0\n-3.084869 3.084869 2.457459\n3.084869 -3.084869 2.457459\n3.084869 3.084869 -2.457459\nTa Co Ni\n4 1 1\ndirect\n0.409412 0.909412 0.818825 Ta\n0.090588 0.590588 0.181175 Ta\n0.590588 0.409412 0.500000 Ta\n0.909412 0.090588 0.500000 Ta\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Ni\n",
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"formula_full": "Ta4 Co1 Ni1",
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{
"id": "mp-1221704",
"created_at": "2022-09-04T14:43:12.436784Z",
"structure_string": "Mn1 Co1 Pt2\n1.0\n2.761628 0.000000 0.000000\n0.000000 2.761628 0.000000\n0.000000 0.000000 7.348035\nMn Co Pt\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.241663 Pt\n0.500000 0.500000 0.758337 Pt\n",
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{
"id": "mp-862813",
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{
"id": "mp-1189046",
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"structure_string": "Er2 B8 Ir8\n1.0\n5.402790 0.000000 0.000000\n0.000000 5.402790 0.000000\n0.000000 0.000000 7.462393\nEr B Ir\n2 8 8\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Er\n0.827381 0.500000 0.153498 B\n0.172619 0.500000 0.153498 B\n0.000000 0.327381 0.653498 B\n0.000000 0.672619 0.653498 B\n0.672619 0.000000 0.346502 B\n0.327381 0.000000 0.346502 B\n0.500000 0.172619 0.846502 B\n0.500000 0.827381 0.846502 B\n0.251077 0.500000 0.855251 Ir\n0.748923 0.500000 0.855251 Ir\n0.000000 0.751077 0.355251 Ir\n0.000000 0.248923 0.355251 Ir\n0.248923 0.000000 0.644749 Ir\n0.751077 0.000000 0.644749 Ir\n0.500000 0.748923 0.144749 Ir\n0.500000 0.251077 0.144749 Ir\n",
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"volume": 217.82829479388937,
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{
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"structure_string": "Ta4 Co2\n1.0\n-3.064848 3.064848 2.491185\n3.064848 -3.064848 2.491185\n3.064848 3.064848 -2.491185\nTa Co\n4 2\ndirect\n0.160942 0.660942 0.821884 Ta\n0.839058 0.339058 0.178116 Ta\n0.339058 0.160942 0.500000 Ta\n0.660942 0.839058 0.500000 Ta\n0.250000 0.250000 0.000000 Co\n0.750000 0.750000 0.000000 Co\n",
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]
}