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{
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{
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{
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"volume_molar": 28.306155973961417,
"formula_full": "Cs2 Nd1 Ag1 I6",
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"formula_anonymous": "ABC2D6",
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{
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"created_at": "2022-09-04T14:42:39.909296Z",
"structure_string": "Pr1 Ge2 Rh2\n1.0\n-2.097410 2.097410 5.307051\n2.097410 -2.097410 5.307051\n2.097410 2.097410 -5.307051\nPr Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.624866 0.624866 0.000000 Ge\n0.375134 0.375134 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
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"formula_full": "Pr1 Ge2 Rh2",
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"spacegroup": 139
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{
"id": "mp-570308",
"created_at": "2022-09-04T14:39:36.594771Z",
"structure_string": "Eu1 Ni2 Sb2\n1.0\n-2.197368 2.197368 5.389736\n2.197368 -2.197368 5.389736\n2.197368 2.197368 -5.389736\nEu Ni Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.362971 0.362971 0.000000 Sb\n0.637029 0.637029 0.000000 Sb\n",
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"formula_full": "Eu1 Ni2 Sb2",
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{
"id": "mp-1110700",
"created_at": "2022-09-04T14:46:42.597049Z",
"structure_string": "Rb2 Na1 Sb1 Br6\n1.0\n0.000000 5.731248 5.731248\n5.731248 0.000000 5.731248\n5.731248 5.731248 0.000000\nRb Na Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.754805 0.245195 0.245195 Br\n0.245195 0.245195 0.754805 Br\n0.245195 0.754805 0.754805 Br\n0.245195 0.754805 0.245195 Br\n0.754805 0.245195 0.754805 Br\n0.754805 0.754805 0.245195 Br\n",
"nsites": 10,
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"elements": [
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"density": 3.506698022734248,
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"formula_full": "Rb2 Na1 Sb1 Br6",
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"updated_at": "2021-11-28T01:37:44.063000Z",
"spacegroup": 225
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{
"id": "mp-1027974",
"created_at": "2022-09-04T14:42:26.954845Z",
"structure_string": "La1 Mg14 Fe1\n1.0\n6.544330 -0.000000 0.000000\n-3.272165 5.667555 -0.000000\n0.000000 -0.000000 10.323351\nLa Mg Fe\n1 14 1\ndirect\n0.166667 0.333333 0.625000 La\n0.150549 0.825274 0.125000 Mg\n0.184656 0.842327 0.625000 Mg\n0.674726 0.349451 0.125000 Mg\n0.657673 0.315344 0.625000 Mg\n0.674726 0.825274 0.125000 Mg\n0.657673 0.842327 0.625000 Mg\n0.325127 0.174873 0.345468 Mg\n0.325127 0.174873 0.904532 Mg\n0.325127 0.650255 0.345468 Mg\n0.325127 0.650255 0.904532 Mg\n0.849745 0.174873 0.345468 Mg\n0.849745 0.174873 0.904532 Mg\n0.833333 0.666667 0.388426 Mg\n0.833333 0.666667 0.861574 Mg\n0.166667 0.333333 0.125000 Fe\n",
"nsites": 16,
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"elements": [
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{
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"structure_string": "Mg14 Co1 B1\n1.0\n6.328217 -0.078612 0.000000\n-3.232189 5.598314 0.000000\n0.000000 0.000000 9.461454\nMg Co B\n14 1 1\ndirect\n0.184641 0.342320 0.625000 Mg\n0.181143 0.840571 0.625000 Mg\n0.763249 0.388654 0.125000 Mg\n0.659976 0.329185 0.625000 Mg\n0.763249 0.874594 0.125000 Mg\n0.659976 0.830790 0.625000 Mg\n0.306259 0.143378 0.312704 Mg\n0.306259 0.143378 0.937296 Mg\n0.306259 0.662881 0.312704 Mg\n0.306259 0.662881 0.937296 Mg\n0.838767 0.169384 0.374150 Mg\n0.838767 0.169384 0.875850 Mg\n0.826639 0.663320 0.376543 Mg\n0.826639 0.663320 0.873457 Mg\n0.128961 0.314480 0.125000 Co\n0.102958 0.801479 0.125000 B\n",
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"formula_full": "Mg14 Co1 B1",
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{
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"structure_string": "Mn2 Nb1 Al1\n1.0\n0.000000 3.008959 3.008959\n3.008959 0.000000 3.008959\n3.008959 3.008959 0.000000\nMn Nb Al\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.499999 0.499999 Mn\n0.750000 0.750000 0.750000 Nb\n0.250001 0.250001 0.250001 Al\n",
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{
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"structure_string": "Cs2 Cr2 I4\n1.0\n4.374746 -6.829936 0.000000\n4.374746 6.829936 0.000000\n0.000000 0.000000 6.514956\nCs Cr I\n2 2 4\ndirect\n0.340407 0.659593 0.750000 Cs\n0.659593 0.340407 0.250000 Cs\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.141250 0.329771 0.250000 I\n0.670229 0.858750 0.250000 I\n0.329771 0.141250 0.750000 I\n0.858750 0.670229 0.750000 I\n",
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{
"id": "mp-1184626",
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{
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"created_at": "2022-09-04T14:41:23.793710Z",
"structure_string": "Yb4 Cd2 Sb4\n1.0\n2.329097 -8.760383 0.000000\n2.329097 8.760383 0.000000\n0.000000 0.000000 7.260548\nYb Cd Sb\n4 2 4\ndirect\n0.479014 0.520986 0.721041 Yb\n0.520986 0.479014 0.221041 Yb\n0.697361 0.302639 0.530714 Yb\n0.302639 0.697361 0.030714 Yb\n0.901442 0.098558 0.395280 Cd\n0.098558 0.901442 0.895280 Cd\n0.320698 0.679302 0.511946 Sb\n0.679302 0.320698 0.011946 Sb\n0.067979 0.932021 0.498529 Sb\n0.932021 0.067979 0.998529 Sb\n",
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]
}