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{
"id": "mp-715584",
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"structure_string": "Mo4 O12\n1.0\n5.475231 0.000000 0.000000\n0.000000 5.655511 0.000000\n0.000000 0.075407 7.286849\nMo O\n4 12\ndirect\n0.754696 0.302765 0.501524 Mo\n0.245304 0.802765 0.501524 Mo\n0.251441 0.958885 0.001267 Mo\n0.748559 0.458885 0.001267 Mo\n0.017859 0.129776 0.460044 O\n0.982141 0.629776 0.460044 O\n0.015973 0.164533 0.045700 O\n0.984027 0.664533 0.045700 O\n0.173709 0.888896 0.752406 O\n0.826291 0.388896 0.752406 O\n0.465089 0.581050 0.545897 O\n0.534911 0.081050 0.545897 O\n0.328606 0.875510 0.253211 O\n0.671394 0.375510 0.253211 O\n0.501815 0.149784 0.960750 O\n0.498185 0.649784 0.960750 O\n",
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{
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{
"id": "mp-2194",
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"structure_string": "Ti1 Se2\n1.0\n1.772131 -3.069421 0.000000\n1.772131 3.069421 0.000000\n0.000000 0.000000 6.693806\nTi Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.231181 Se\n0.666667 0.333333 0.768819 Se\n",
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{
"id": "mp-1094378",
"created_at": "2022-09-04T14:39:45.220685Z",
"structure_string": "Y4 Mg2\n1.0\n5.948529 -3.000773 0.000000\n5.948529 3.000773 0.000000\n4.434770 0.000000 4.972167\nY Mg\n4 2\ndirect\n0.000000 0.672681 0.327319 Y\n0.327319 0.000000 0.672681 Y\n0.500000 0.500000 0.500000 Y\n0.672681 0.327319 0.000000 Y\n0.166770 0.166770 0.166770 Mg\n0.833230 0.833230 0.833230 Mg\n",
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{
"id": "mp-1106252",
"created_at": "2022-09-04T14:39:45.248767Z",
"structure_string": "Nd10 Ga6\n1.0\n-3.943461 3.943461 7.301439\n3.943461 -3.943461 7.301439\n3.943461 3.943461 -7.301439\nNd Ga\n10 6\ndirect\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.000000 Nd\n0.523544 0.023544 0.844652 Nd\n0.178891 0.678891 0.155348 Nd\n0.023544 0.178891 0.500000 Nd\n0.678891 0.523544 0.500000 Nd\n0.476456 0.976456 0.155348 Nd\n0.821109 0.321109 0.844652 Nd\n0.976456 0.821109 0.500000 Nd\n0.321109 0.476456 0.500000 Nd\n0.250000 0.250000 0.000000 Ga\n0.750000 0.750000 0.000000 Ga\n0.881512 0.381512 0.263023 Ga\n0.118488 0.618488 0.736977 Ga\n0.381512 0.118488 0.500000 Ga\n0.618488 0.881512 0.500000 Ga\n",
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"spacegroup": 140
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{
"id": "mp-568901",
"created_at": "2022-09-04T14:39:45.414262Z",
"structure_string": "Nb4 Fe8\n1.0\n2.380221 -4.122663 0.000000\n2.380221 4.122663 0.000000\n0.000000 0.000000 7.895206\nNb Fe\n4 8\ndirect\n0.333333 0.666667 0.433785 Nb\n0.666667 0.333333 0.566215 Nb\n0.666667 0.333333 0.933785 Nb\n0.333333 0.666667 0.066215 Nb\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.170116 0.829884 0.750000 Fe\n0.170116 0.340232 0.750000 Fe\n0.659768 0.829884 0.750000 Fe\n0.829884 0.170116 0.250000 Fe\n0.829884 0.659768 0.250000 Fe\n0.340232 0.170116 0.250000 Fe\n",
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"elements": [
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"density": 8.770380879850006,
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"volume": 154.94892936998616,
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"formula_full": "Nb4 Fe8",
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"energy": -109.59865051,
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{
"id": "mp-1039309",
"created_at": "2022-09-04T14:39:45.455777Z",
"structure_string": "Mg4 Cd2\n1.0\n1.566977 -2.714084 0.000000\n1.566977 2.714084 0.000000\n0.000000 0.000000 15.938961\nMg Cd\n4 2\ndirect\n0.333333 0.666667 0.751555 Mg\n0.666667 0.333333 0.583574 Mg\n0.333333 0.666667 0.416426 Mg\n0.666667 0.333333 0.248445 Mg\n0.666667 0.333333 0.915454 Cd\n0.333333 0.666667 0.084546 Cd\n",
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{
"id": "mp-1076988",
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"structure_string": "Gd2 Zn4\n1.0\n-2.275552 3.597524 3.804506\n2.275552 -3.597524 3.804506\n2.275552 3.597524 -3.804506\nGd Zn\n2 4\ndirect\n0.220071 0.470071 0.750000 Gd\n0.779929 0.529929 0.250000 Gd\n0.377788 0.833861 0.543927 Zn\n0.622212 0.166139 0.456073 Zn\n0.210067 0.166139 0.043927 Zn\n0.789933 0.833861 0.956073 Zn\n",
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{
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"created_at": "2022-09-04T14:39:45.671921Z",
"structure_string": "K6 Pu6\n1.0\n7.068106 4.080773 3.140191\n-7.068106 4.080773 3.140191\n0.000000 -8.161546 3.140191\nK Pu\n6 6\ndirect\n0.600988 0.548773 0.848805 K\n0.848805 0.600988 0.548773 K\n0.548773 0.848805 0.600988 K\n0.399012 0.451227 0.151195 K\n0.151195 0.399012 0.451227 K\n0.451227 0.151195 0.399012 K\n0.318203 0.809944 0.959137 Pu\n0.959137 0.318203 0.809944 Pu\n0.809944 0.959137 0.318203 Pu\n0.681797 0.190056 0.040863 Pu\n0.040863 0.681797 0.190056 Pu\n0.190056 0.040863 0.681797 Pu\n",
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{
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{
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"structure_string": "Mg8 Si16\n1.0\n5.988210 0.000000 0.000000\n0.000000 7.151877 0.000000\n0.000000 0.000000 9.800179\nMg Si\n8 16\ndirect\n0.766307 0.932794 0.668329 Mg\n0.249067 0.975307 0.140605 Mg\n0.750933 0.475307 0.359395 Mg\n0.233693 0.432794 0.831671 Mg\n0.266307 0.567206 0.331671 Mg\n0.749067 0.524693 0.859395 Mg\n0.250933 0.024693 0.640605 Mg\n0.733693 0.067206 0.168329 Mg\n0.561180 0.316894 0.626929 Si\n0.046928 0.351479 0.113634 Si\n0.552343 0.851124 0.411367 Si\n0.041737 0.816380 0.898124 Si\n0.458263 0.183620 0.398124 Si\n0.947657 0.148876 0.911367 Si\n0.453072 0.648521 0.613634 Si\n0.938820 0.683106 0.126929 Si\n0.953072 0.851479 0.386366 Si\n0.438820 0.816894 0.873071 Si\n0.958263 0.316380 0.601876 Si\n0.447657 0.351124 0.088633 Si\n0.052343 0.648876 0.588633 Si\n0.541737 0.683620 0.101876 Si\n0.061180 0.183106 0.373071 Si\n0.546928 0.148521 0.886366 Si\n",
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{
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"structure_string": "Pr1 Ge5\n1.0\n-2.015028 3.142819 4.983174\n2.015028 -3.142819 4.983174\n2.015028 3.142819 -4.983174\nPr Ge\n1 5\ndirect\n0.000000 0.000000 0.000000 Pr\n0.533653 0.329703 0.203951 Ge\n0.125752 0.329703 0.796049 Ge\n0.466347 0.670297 0.796049 Ge\n0.874248 0.670297 0.203951 Ge\n0.500000 0.000000 0.500000 Ge\n",
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]
}