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{
"id": "mp-754317",
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"structure_string": "Nd2 O4\n1.0\n3.790397 0.000000 0.000000\n0.000000 5.277331 0.000000\n0.000000 0.000000 5.444522\nNd O\n2 4\ndirect\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.820369 0.297119 O\n0.000000 0.179631 0.702881 O\n0.500000 0.320369 0.202881 O\n0.500000 0.679631 0.797119 O\n",
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{
"id": "mp-1181848",
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"structure_string": "Cd1 Hg1 S4\n1.0\n-3.887120 3.887120 2.366427\n3.887120 -3.887120 2.366427\n3.887120 3.887120 -2.366427\nCd Hg S\n1 1 4\ndirect\n0.750000 0.250000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n0.653192 0.618692 0.535778 S\n0.082914 0.117414 0.464222 S\n0.882586 0.346808 0.965500 S\n0.381308 0.917086 0.034500 S\n",
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"formula_full": "Cd1 Hg1 S4",
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{
"id": "mp-1216737",
"created_at": "2022-09-04T14:41:21.638079Z",
"structure_string": "U2 Ni2 Ge2\n1.0\n2.084520 4.904638 0.000000\n-2.084520 4.904638 0.000000\n0.000000 4.269431 5.123318\nU Ni Ge\n2 2 2\ndirect\n0.448987 0.448987 0.325721 U\n0.551013 0.551013 0.674279 U\n0.836752 0.836752 0.713602 Ni\n0.163248 0.163248 0.286398 Ni\n0.164212 0.164212 0.899500 Ge\n0.835788 0.835788 0.100500 Ge\n",
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{
"id": "mp-1025071",
"created_at": "2022-09-04T14:41:22.093554Z",
"structure_string": "Yb1 B2 Ir3\n1.0\n2.815379 -4.876380 0.000000\n2.815379 4.876380 0.000000\n0.000000 0.000000 2.928812\nYb B Ir\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Yb\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n0.000000 0.500000 0.000000 Ir\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.000000 Ir\n",
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{
"id": "mp-8137",
"created_at": "2022-09-04T14:41:29.373293Z",
"structure_string": "Np2 S2 O2\n1.0\n3.795426 0.000000 0.000000\n0.000000 3.795426 0.000000\n0.000000 0.000000 6.697051\nNp S O\n2 2 2\ndirect\n0.500000 0.000000 0.803489 Np\n0.000000 0.500000 0.196511 Np\n0.000000 0.500000 0.631545 S\n0.500000 0.000000 0.368455 S\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"S",
"O"
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"volume": 96.47275098650937,
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"formula_full": "Np2 S2 O2",
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"updated_at": "2021-11-28T01:35:24.299000Z",
"spacegroup": 129
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{
"id": "mp-2311",
"created_at": "2022-09-04T14:41:27.650149Z",
"structure_string": "Nb3 O3\n1.0\n4.261457 0.000000 0.000000\n0.000000 4.261457 0.000000\n0.000000 0.000000 4.261457\nNb O\n3 3\ndirect\n0.500000 0.000000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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{
"id": "mp-9293",
"created_at": "2022-09-04T14:41:27.639855Z",
"structure_string": "Eu2 Ge2 Au2\n1.0\n-2.320949 3.715608 3.983461\n2.320949 -3.715608 3.983461\n2.320949 3.715608 -3.983461\nEu Ge Au\n2 2 2\ndirect\n0.203167 0.703167 0.500000 Eu\n0.631752 0.631752 0.000000 Eu\n0.645011 0.333426 0.311585 Ge\n0.021841 0.333426 0.688415 Ge\n0.784106 0.001949 0.782157 Au\n0.219792 0.001949 0.217843 Au\n",
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"volume": 137.4092748285997,
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"formula_full": "Eu2 Ge2 Au2",
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{
"id": "mp-1094405",
"created_at": "2022-09-04T14:41:21.117838Z",
"structure_string": "Y1 Mg5\n1.0\n5.736704 -2.805657 0.000000\n5.736704 2.805657 0.000000\n4.364538 0.000000 4.661791\nY Mg\n1 5\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.667558 0.332442 Mg\n0.165904 0.165904 0.165904 Mg\n0.332442 0.000000 0.667558 Mg\n0.667558 0.332442 0.000000 Mg\n0.834096 0.834096 0.834096 Mg\n",
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"updated_at": "2021-11-28T01:35:16.853000Z",
"spacegroup": 155
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{
"id": "mp-1216810",
"created_at": "2022-09-04T14:41:21.769992Z",
"structure_string": "U2 Mn1 Al3\n1.0\n4.841220 -2.526490 0.000000\n4.841220 2.526490 0.000000\n3.522719 0.000000 4.172651\nU Mn Al\n2 1 3\ndirect\n0.142601 0.142601 0.142601 U\n0.857399 0.857399 0.857399 U\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n",
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{
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{
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"formula_full": "Re1 Si4 W1",
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"energy": -48.51224796000001,
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]
}