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{
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{
"id": "mp-867323",
"created_at": "2022-09-04T14:47:18.151683Z",
"structure_string": "Pr6 Mn2 Al2 S14\n1.0\n5.046476 -8.740753 0.000000\n5.046476 8.740753 0.000000\n0.000000 0.000000 6.109011\nPr Mn Al S\n6 2 2 14\ndirect\n0.144959 0.376296 0.242777 Pr\n0.855041 0.623704 0.742777 Pr\n0.623704 0.768663 0.242777 Pr\n0.231337 0.855041 0.242777 Pr\n0.768663 0.144959 0.742777 Pr\n0.376296 0.231337 0.742777 Pr\n0.000000 0.000000 0.018723 Mn\n0.000000 0.000000 0.518723 Mn\n0.333333 0.666667 0.664319 Al\n0.666667 0.333333 0.164319 Al\n0.333333 0.666667 0.029290 S\n0.666667 0.333333 0.529290 S\n0.093419 0.238003 0.791520 S\n0.906581 0.761997 0.291520 S\n0.761997 0.855416 0.791520 S\n0.144584 0.906581 0.791520 S\n0.855416 0.093419 0.291520 S\n0.238003 0.144584 0.291520 S\n0.421659 0.520717 0.517289 S\n0.578341 0.479283 0.017289 S\n0.479283 0.900943 0.517289 S\n0.099057 0.578341 0.517289 S\n0.900943 0.421659 0.017289 S\n0.520717 0.099057 0.017289 S\n",
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{
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"structure_string": "Tb6 Ge6 Pd6\n1.0\n-2.213258 3.823307 10.587568\n2.213258 -3.823307 10.587568\n2.213258 3.823307 -10.587568\nTb Ge Pd\n6 6 6\ndirect\n0.535166 0.000000 0.535166 Tb\n0.869044 0.333842 0.535201 Tb\n0.201359 0.666158 0.535201 Tb\n0.952130 0.500000 0.452130 Tb\n0.625637 0.167268 0.458368 Tb\n0.291100 0.832732 0.458368 Tb\n0.219533 0.064730 0.154803 Ge\n0.090072 0.935270 0.154803 Ge\n0.070784 0.234818 0.835966 Ge\n0.601148 0.765182 0.835966 Ge\n0.561390 0.405936 0.155454 Ge\n0.749519 0.594064 0.155454 Ge\n0.930818 0.104015 0.826804 Pd\n0.722789 0.895985 0.826804 Pd\n0.431840 0.266327 0.165512 Pd\n0.899185 0.733673 0.165512 Pd\n0.251968 0.428255 0.823713 Pd\n0.395458 0.571745 0.823713 Pd\n",
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{
"id": "mp-862363",
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"structure_string": "Sc2 Pd1 Pt1\n1.0\n0.000000 3.308001 3.308001\n3.308001 0.000000 3.308001\n3.308001 3.308001 0.000000\nSc Pd Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pt\n",
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"spacegroup": 225
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{
"id": "mp-10714",
"created_at": "2022-09-04T14:47:18.201959Z",
"structure_string": "Tm1 Rh3 C1\n1.0\n4.162326 0.000000 0.000000\n0.000000 4.162326 0.000000\n0.000000 0.000000 4.162326\nTm Rh C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.500000 C\n",
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{
"id": "mp-1190297",
"created_at": "2022-09-04T14:47:19.047095Z",
"structure_string": "Dy4 Ga12\n1.0\n9.474377 -3.108260 0.000000\n9.474377 3.108260 0.000000\n8.454649 0.000000 5.286209\nDy Ga\n4 12\ndirect\n0.870463 0.870463 0.870463 Dy\n0.129537 0.129537 0.129537 Dy\n0.712151 0.712151 0.712151 Dy\n0.287849 0.287849 0.287849 Dy\n0.397653 0.831256 0.397653 Ga\n0.397653 0.397653 0.831256 Ga\n0.831256 0.397653 0.397653 Ga\n0.602347 0.168744 0.602347 Ga\n0.602347 0.602347 0.168744 Ga\n0.168744 0.602347 0.602347 Ga\n0.207736 0.709932 0.207736 Ga\n0.207736 0.207736 0.709932 Ga\n0.709932 0.207736 0.207736 Ga\n0.792264 0.290068 0.792264 Ga\n0.792264 0.792264 0.290068 Ga\n0.290068 0.792264 0.792264 Ga\n",
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"density": 7.929085501635418,
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"volume": 311.34530922480803,
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"formula_full": "Dy4 Ga12",
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"spacegroup": 166
},
{
"id": "mp-1178643",
"created_at": "2022-09-04T14:47:18.246163Z",
"structure_string": "Zn1 Cr1 Cu3 Se4\n1.0\n5.706764 0.000000 0.000000\n0.000000 5.706764 0.000000\n0.000000 0.000000 5.706764\nZn Cr Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.246849 0.246849 0.246849 Se\n0.753151 0.753151 0.246849 Se\n0.246849 0.753151 0.753151 Se\n0.753151 0.246849 0.753151 Se\n",
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"volume": 185.85306974346602,
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"formula_full": "Zn1 Cr1 Cu3 Se4",
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"energy": -41.23633424,
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{
"id": "mp-631578",
"created_at": "2022-09-04T14:47:17.645813Z",
"structure_string": "Be1 Sb1 As2\n1.0\n0.000000 3.380334 3.380334\n3.380334 0.000000 3.380334\n3.380334 3.380334 0.000000\nBe Sb As\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Sb\n0.750000 0.750000 0.750000 As\n0.250000 0.250000 0.250000 As\n",
"nsites": 4,
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{
"id": "mp-20719",
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"structure_string": "Eu1 Hg2\n1.0\n2.559011 -4.432337 0.000000\n2.559011 4.432337 0.000000\n0.000000 0.000000 3.726723\nEu Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.333333 0.666667 0.500000 Hg\n0.666667 0.333333 0.500000 Hg\n",
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"density": 10.864888355610777,
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{
"id": "mp-1174520",
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"structure_string": "Li8 Co6 O14\n1.0\n2.575906 0.000000 -1.330210\n0.600180 34.621957 1.162227\n-0.124189 0.128177 2.918695\nLi Co O\n8 6 14\ndirect\n0.287180 0.072642 0.574362 Li\n0.855677 0.213073 0.711353 Li\n0.428896 0.357245 0.857793 Li\n0.000034 0.499970 0.000068 Li\n0.571429 0.642857 0.142857 Li\n0.142823 0.785744 0.285646 Li\n0.713961 0.928469 0.427921 Li\n0.571429 0.142857 0.142857 Li\n0.000809 0.999521 0.001618 Co\n0.142048 0.286193 0.284096 Co\n0.714231 0.428603 0.428461 Co\n0.285699 0.571426 0.571400 Co\n0.857158 0.714289 0.714315 Co\n0.428626 0.857111 0.857253 Co\n0.646750 0.031229 0.293499 O\n0.211326 0.179363 0.422654 O\n0.787104 0.319378 0.574208 O\n0.356144 0.461428 0.712289 O\n0.932646 0.604185 0.865292 O\n0.504304 0.747054 0.008607 O\n0.070590 0.889794 0.141180 O\n0.931531 0.106352 0.863061 O\n0.496107 0.254485 0.992215 O\n0.072267 0.395920 0.144534 O\n0.638554 0.538660 0.277107 O\n0.210211 0.681529 0.420422 O\n0.786713 0.824286 0.573425 O\n0.355753 0.966337 0.711507 O\n",
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"formula_full": "Li8 Co6 O14",
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{
"id": "mp-611817",
"created_at": "2022-09-04T14:47:19.044465Z",
"structure_string": "Fe6 O8\n1.0\n0.000000 4.548560 4.548560\n4.548560 0.000000 4.548560\n4.548560 4.548560 0.000000\nFe O\n6 8\ndirect\n0.750000 0.750000 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.103869 0.103869 0.103869 Fe\n0.688393 0.103869 0.103869 Fe\n0.103869 0.103869 0.688393 Fe\n0.103869 0.688393 0.103869 Fe\n0.360087 0.360087 0.360087 O\n0.360087 0.919738 0.360087 O\n0.360087 0.360087 0.919738 O\n0.919738 0.360087 0.360087 O\n0.366707 0.877764 0.877764 O\n0.877764 0.877764 0.877764 O\n0.877764 0.366707 0.877764 O\n0.877764 0.877764 0.366707 O\n",
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"formula_full": "Fe6 O8",
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{
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"structure_string": "La1 Se1\n1.0\n0.000000 3.050820 3.050820\n3.050820 0.000000 3.050820\n3.050820 3.050820 0.000000\nLa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Se\n",
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{
"id": "mp-1080527",
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"structure_string": "Sn1 Br6 N2\n1.0\n0.000000 5.277127 5.277127\n5.277127 0.000000 5.277127\n5.277127 5.277127 0.000000\nSn Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Sn\n0.750993 0.750993 0.249007 Br\n0.249007 0.750993 0.249007 Br\n0.750993 0.249007 0.249007 Br\n0.249007 0.249007 0.750993 Br\n0.750993 0.249007 0.750993 Br\n0.249007 0.750993 0.750993 Br\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n",
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]
}