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{
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"results": [
{
"id": "mp-780886",
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"structure_string": "Mn3 Cr3 Co2 O16\n1.0\n5.815800 0.000127 -0.028161\n-2.907785 5.036556 -0.000013\n-0.044784 -0.025933 8.698247\nMn Cr Co O\n3 3 2 16\ndirect\n0.658794 0.829410 0.211334 Mn\n0.828078 0.661892 0.712558 Mn\n0.828075 0.166231 0.712547 Mn\n0.162564 0.832876 0.200479 Cr\n0.162617 0.329681 0.200471 Cr\n0.324252 0.162144 0.701114 Cr\n0.338100 0.669054 0.483109 Co\n0.667595 0.333806 0.982468 Co\n0.173015 0.832265 0.606152 O\n0.059624 0.529804 0.339794 O\n0.339896 0.669937 0.092892 O\n0.994769 0.997388 0.314065 O\n0.992105 0.996089 0.818706 O\n0.173012 0.340766 0.606146 O\n0.476269 0.952533 0.342304 O\n0.476291 0.523759 0.342301 O\n0.348429 0.174197 0.106518 O\n0.659569 0.829802 0.602171 O\n0.523166 0.473839 0.844083 O\n0.523165 0.049373 0.844071 O\n0.671786 0.335920 0.599721 O\n0.832035 0.656737 0.103465 O\n0.954744 0.477383 0.845788 O\n0.832047 0.175315 0.103464 O\n",
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{
"id": "mp-1232347",
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"structure_string": "Tb6 Mg6 Se18\n1.0\n6.929893 0.000000 0.000000\n-3.464946 6.001463 0.000000\n0.000000 0.000000 19.291840\nTb Mg Se\n6 6 18\ndirect\n0.000000 0.000000 0.347606 Tb\n0.000000 0.000000 0.652394 Tb\n0.666667 0.333333 0.680939 Tb\n0.666667 0.333333 0.985727 Tb\n0.333333 0.666667 0.014273 Tb\n0.333333 0.666667 0.319061 Tb\n0.000000 0.000000 0.161124 Mg\n0.000000 0.000000 0.838876 Mg\n0.666667 0.333333 0.494457 Mg\n0.666667 0.333333 0.172209 Mg\n0.333333 0.666667 0.827791 Mg\n0.333333 0.666667 0.505543 Mg\n0.993730 0.360169 0.583418 Se\n0.006270 0.639831 0.416582 Se\n0.639831 0.633561 0.583418 Se\n0.360169 0.366439 0.416582 Se\n0.366439 0.006270 0.583418 Se\n0.633561 0.993730 0.416582 Se\n0.660397 0.693502 0.916751 Se\n0.672937 0.973164 0.749915 Se\n0.306498 0.966894 0.916751 Se\n0.026836 0.699772 0.749915 Se\n0.033106 0.339603 0.916751 Se\n0.300228 0.327063 0.749915 Se\n0.327063 0.026836 0.250085 Se\n0.339603 0.306498 0.083249 Se\n0.973164 0.300228 0.250085 Se\n0.693502 0.033106 0.083249 Se\n0.699772 0.672937 0.250085 Se\n0.966894 0.660397 0.083249 Se\n",
"nsites": 30,
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"elements": [
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"chemical_system": "Mg-Se-Tb",
"density": 5.216826768392377,
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"volume": 802.3379108748617,
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"formula_full": "Tb6 Mg6 Se18",
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"updated_at": "2021-11-28T01:34:42.459000Z",
"spacegroup": 148
},
{
"id": "mp-12674",
"created_at": "2022-09-04T14:39:17.775065Z",
"structure_string": "Mn1 Au1\n1.0\n3.225519 0.000000 0.000000\n0.000000 3.225519 0.000000\n0.000000 0.000000 3.225519\nMn Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Au\n",
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"density": 12.46483133695531,
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"spacegroup": 221
},
{
"id": "mp-1220117",
"created_at": "2022-09-04T14:39:06.526441Z",
"structure_string": "Nd1 U1 Te6\n1.0\n2.197416 -12.908473 0.000000\n2.197416 12.908473 0.000000\n0.000000 0.000000 4.391633\nNd U Te\n1 1 6\ndirect\n0.169147 0.830853 0.000000 Nd\n0.833419 0.166581 0.500000 U\n0.570954 0.429046 0.000000 Te\n0.423820 0.576180 0.500000 Te\n0.298441 0.701559 0.000000 Te\n0.709680 0.290320 0.500000 Te\n0.923769 0.076231 0.000000 Te\n0.070770 0.929230 0.500000 Te\n",
"nsites": 8,
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"density_atomic": 0.032110480056248454,
"volume": 249.13984424979847,
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"formula_full": "Nd1 U1 Te6",
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"spacegroup": 38
},
{
"id": "mp-865429",
"created_at": "2022-09-04T14:39:06.610559Z",
"structure_string": "Yb1 Y1 Rh2\n1.0\n0.000000 3.392938 3.392938\n3.392938 0.000000 3.392938\n3.392938 3.392938 0.000000\nYb Y Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
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"chemical_system": "Rh-Y-Yb",
"density": 9.942863716916884,
"density_atomic": 0.05120380375527379,
"volume": 78.11919636122768,
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"formula_full": "Yb1 Y1 Rh2",
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"energy": -25.75879102,
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"updated_at": "2021-11-28T01:34:31.370000Z",
"spacegroup": 225
},
{
"id": "mp-1175084",
"created_at": "2022-09-04T14:39:06.649240Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n1.430538 2.635787 0.000000\n-1.430538 2.635787 0.000000\n0.000000 1.475457 29.534099\nLi Mn Co O\n7 2 3 12\ndirect\n0.321646 0.321646 0.912261 Li\n0.011162 0.011162 0.751799 Li\n0.669574 0.669574 0.585132 Li\n0.330241 0.330241 0.415162 Li\n0.001471 0.001471 0.250950 Li\n0.667776 0.667776 0.085036 Li\n0.668055 0.668055 0.832502 Li\n0.996547 0.996547 0.001332 Mn\n0.000821 0.000821 0.500146 Mn\n0.335873 0.335873 0.665787 Co\n0.666419 0.666419 0.332903 Co\n0.333141 0.333141 0.167501 Co\n0.651640 0.651640 0.965047 O\n0.332843 0.332843 0.788814 O\n0.985514 0.985514 0.628867 O\n0.641905 0.641905 0.460873 O\n0.312671 0.312671 0.296001 O\n0.001386 0.001386 0.129814 O\n0.000470 0.000470 0.875928 O\n0.678145 0.678145 0.699816 O\n0.359200 0.359200 0.539238 O\n0.020077 0.020077 0.369766 O\n0.664023 0.664023 0.205109 O\n0.349400 0.349400 0.040218 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.931033666826035,
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"volume": 222.7221612739714,
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"formula_full": "Li7 Mn2 Co3 O12",
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"energy": -154.84305491,
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"spacegroup": 8
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{
"id": "mp-570864",
"created_at": "2022-09-04T14:39:06.623311Z",
"structure_string": "Er10 Ni2 Pb6\n1.0\n4.551118 -7.882767 0.000000\n4.551118 7.882767 0.000000\n0.000000 0.000000 6.646860\nEr Ni Pb\n10 2 6\ndirect\n0.000000 0.762467 0.750000 Er\n0.237533 0.000000 0.250000 Er\n0.762467 0.000000 0.750000 Er\n0.333333 0.666667 0.500000 Er\n0.000000 0.237533 0.250000 Er\n0.666667 0.333333 0.500000 Er\n0.762467 0.762467 0.250000 Er\n0.237533 0.237533 0.750000 Er\n0.333333 0.666667 0.000000 Er\n0.666667 0.333333 0.000000 Er\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.399312 0.399312 0.250000 Pb\n0.000000 0.399312 0.750000 Pb\n0.000000 0.600688 0.250000 Pb\n0.600688 0.000000 0.250000 Pb\n0.399312 0.000000 0.750000 Pb\n0.600688 0.600688 0.750000 Pb\n",
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"density": 10.560962732592037,
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{
"id": "mp-1188542",
"created_at": "2022-09-04T14:39:06.626096Z",
"structure_string": "Sr1 Fe4 Sb12\n1.0\n-4.610443 4.610443 4.610443\n4.610443 -4.610443 4.610443\n4.610443 4.610443 -4.610443\nSr Fe Sb\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.336217 0.173387 0.837170 Sb\n0.663783 0.826613 0.162830 Sb\n0.663783 0.500954 0.837170 Sb\n0.336217 0.499046 0.162830 Sb\n0.173387 0.837170 0.336217 Sb\n0.826613 0.162830 0.663783 Sb\n0.500954 0.837170 0.663783 Sb\n0.499046 0.162830 0.336217 Sb\n0.837170 0.336217 0.173387 Sb\n0.162830 0.663783 0.826613 Sb\n0.837170 0.663783 0.500954 Sb\n0.162830 0.336217 0.499046 Sb\n",
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{
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{
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{
"id": "mp-864744",
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"structure_string": "Ho1 Mg1 Rh2\n1.0\n0.000000 3.281780 3.281780\n3.281780 0.000000 3.281780\n3.281780 3.281780 0.000000\nHo Mg Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
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"structure_string": "K2 Hg1 Rh1 F6\n1.0\n0.000000 4.473637 4.473637\n4.473637 0.000000 4.473637\n4.473637 4.473637 0.000000\nK Hg Rh F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Rh\n0.771155 0.228845 0.228845 F\n0.228845 0.228845 0.771155 F\n0.228845 0.771155 0.771155 F\n0.228845 0.771155 0.228845 F\n0.771155 0.228845 0.771155 F\n0.771155 0.771155 0.228845 F\n",
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"total_magnetization": 0.0004449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.224000Z",
"spacegroup": 225
}
]
}