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"results": [
{
"id": "mp-1229198",
"created_at": "2022-09-04T14:47:23.559997Z",
"structure_string": "Ba10 Co7 Ir3 O30\n1.0\n2.889012 5.001019 0.000000\n-2.889012 5.001019 0.000000\n0.000000 0.382938 23.948906\nBa Co Ir O\n10 7 3 30\ndirect\n0.000416 0.000416 0.749859 Ba\n0.998436 0.998436 0.253770 Ba\n0.333751 0.333751 0.043048 Ba\n0.667039 0.667039 0.958918 Ba\n0.665713 0.665713 0.540460 Ba\n0.335242 0.335242 0.453903 Ba\n0.333156 0.333156 0.636806 Ba\n0.666255 0.666255 0.355755 Ba\n0.665751 0.665751 0.143046 Ba\n0.334380 0.334380 0.862330 Ba\n0.333541 0.333541 0.309894 Co\n0.997526 0.997526 0.602648 Co\n0.002287 0.002287 0.393962 Co\n0.002220 0.002220 0.104003 Co\n0.999443 0.999443 0.896780 Co\n0.000325 0.000325 0.499232 Co\n0.999925 0.999925 0.000414 Co\n0.333779 0.333779 0.197285 Ir\n0.666618 0.666618 0.803404 Ir\n0.667212 0.667212 0.696562 Ir\n0.834689 0.834689 0.650038 O\n0.346213 0.827892 0.651055 O\n0.827892 0.346213 0.651055 O\n0.156549 0.156549 0.352253 O\n0.660430 0.167523 0.350079 O\n0.167523 0.660430 0.350079 O\n0.172241 0.172241 0.151880 O\n0.661207 0.167600 0.150102 O\n0.167600 0.661207 0.150102 O\n0.826596 0.826596 0.848972 O\n0.337625 0.832148 0.849445 O\n0.832148 0.337625 0.849445 O\n0.146847 0.146847 0.551259 O\n0.697843 0.148492 0.547544 O\n0.148492 0.697843 0.547544 O\n0.856464 0.856464 0.447255 O\n0.298094 0.853101 0.451066 O\n0.853101 0.298094 0.451066 O\n0.850700 0.850700 0.047676 O\n0.298771 0.852890 0.050096 O\n0.852890 0.298771 0.050096 O\n0.149916 0.149916 0.952405 O\n0.701401 0.147954 0.950293 O\n0.147954 0.701401 0.950293 O\n0.508966 0.982334 0.749469 O\n0.509214 0.509214 0.751180 O\n0.982334 0.508966 0.749469 O\n0.482757 0.033741 0.250212 O\n0.486785 0.486785 0.246281 O\n0.033741 0.482757 0.250212 O\n",
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"formula_full": "Ba10 Co7 Ir3 O30",
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"energy": -343.18868107000003,
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"spacegroup": 8
},
{
"id": "mp-1202639",
"created_at": "2022-09-04T14:47:23.572817Z",
"structure_string": "Yb10 Co8 Si28\n1.0\n7.870860 0.000000 0.000000\n0.000000 7.686453 0.000000\n0.000000 1.857676 12.607973\nYb Co Si\n10 8 28\ndirect\n0.000000 0.000000 0.500000 Yb\n0.500000 0.500000 0.500000 Yb\n0.254349 0.156958 0.857434 Yb\n0.754349 0.343042 0.142566 Yb\n0.745651 0.843042 0.142566 Yb\n0.245651 0.656958 0.857434 Yb\n0.246675 0.835906 0.142228 Yb\n0.746675 0.664094 0.857772 Yb\n0.753325 0.164094 0.857772 Yb\n0.253325 0.335906 0.142228 Yb\n0.378022 0.870434 0.499444 Co\n0.878022 0.629566 0.500556 Co\n0.621978 0.129566 0.500556 Co\n0.121978 0.370434 0.499444 Co\n0.999835 0.940784 0.745875 Co\n0.499835 0.559216 0.254125 Co\n0.000165 0.059216 0.254125 Co\n0.500165 0.440784 0.745875 Co\n0.668430 0.836915 0.499664 Si\n0.168430 0.663085 0.500336 Si\n0.331570 0.163085 0.500336 Si\n0.831570 0.336915 0.499664 Si\n0.991970 0.766365 0.328271 Si\n0.491970 0.733635 0.671729 Si\n0.008030 0.233635 0.671729 Si\n0.508030 0.266365 0.328271 Si\n0.992217 0.682833 0.672100 Si\n0.492217 0.817167 0.327900 Si\n0.007783 0.317167 0.327900 Si\n0.507783 0.182833 0.672100 Si\n0.498347 0.881322 0.953099 Si\n0.998347 0.618678 0.046901 Si\n0.501653 0.118678 0.046901 Si\n0.001653 0.381322 0.953099 Si\n0.271181 0.950498 0.670218 Si\n0.771181 0.549502 0.329782 Si\n0.728819 0.049502 0.329782 Si\n0.228819 0.450498 0.670218 Si\n0.000081 0.892872 0.935603 Si\n0.500081 0.607128 0.064397 Si\n0.999919 0.107128 0.064397 Si\n0.499919 0.392872 0.935603 Si\n0.728442 0.965407 0.670378 Si\n0.228442 0.534593 0.329622 Si\n0.271558 0.034593 0.329622 Si\n0.771558 0.465407 0.670378 Si\n",
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"elements": [
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"density": 6.505399640526111,
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"formula_full": "Yb10 Co8 Si28",
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"spacegroup": 14
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{
"id": "mp-29131",
"created_at": "2022-09-04T14:47:23.575035Z",
"structure_string": "V2 Se2\n1.0\n1.885118 -3.265120 0.000000\n1.885118 3.265120 0.000000\n0.000000 0.000000 5.784370\nV Se\n2 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.333333 0.666667 0.250000 Se\n0.666667 0.333333 0.750000 Se\n",
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"elements": [
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"density": 6.058561364081423,
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"volume": 71.20717364976116,
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"updated_at": "2021-11-28T01:38:06.439000Z",
"spacegroup": 194
},
{
"id": "mp-1189703",
"created_at": "2022-09-04T14:47:23.647150Z",
"structure_string": "Yb4 Ge8 Pd4\n1.0\n-2.212791 4.508389 8.052969\n2.212791 -4.508389 8.052969\n2.212791 4.508389 -8.052969\nYb Ge Pd\n4 8 4\ndirect\n0.258799 0.000000 0.258799 Yb\n0.741201 0.000000 0.741201 Yb\n0.296865 0.796865 0.500000 Yb\n0.703135 0.203135 0.500000 Yb\n0.920153 0.420153 0.500000 Ge\n0.079847 0.579847 0.500000 Ge\n0.424723 0.424723 0.000000 Ge\n0.575277 0.575277 0.000000 Ge\n0.046911 0.193907 0.853004 Ge\n0.953089 0.806093 0.146996 Ge\n0.340903 0.193907 0.146996 Ge\n0.659097 0.806093 0.853004 Ge\n0.105017 0.352055 0.752962 Pd\n0.894983 0.647945 0.247038 Pd\n0.599093 0.352055 0.247038 Pd\n0.400907 0.647945 0.752962 Pd\n",
"nsites": 16,
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"elements": [
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"density": 8.779190139056345,
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"volume": 321.3496242711493,
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"formula_full": "Yb4 Ge8 Pd4",
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"updated_at": "2021-11-28T01:37:59.115000Z",
"spacegroup": 71
},
{
"id": "mp-1227923",
"created_at": "2022-09-04T14:47:23.648903Z",
"structure_string": "Ba1 La3 Mn4 O12\n1.0\n3.950554 3.946924 3.946940\n-3.950541 3.946858 3.946993\n-3.950606 -3.946959 3.947028\nBa La Mn O\n1 3 4 12\ndirect\n0.999998 0.000000 0.000000 Ba\n0.500002 0.000002 0.500000 La\n0.000003 0.500004 0.500003 La\n0.500002 0.499999 0.999997 La\n0.500002 0.499997 0.500002 Mn\n0.500000 0.000000 0.000003 Mn\n0.999999 0.000002 0.499999 Mn\n0.000001 0.499995 0.000002 Mn\n0.257236 0.742764 0.514505 O\n0.257253 0.257260 0.999998 O\n0.742760 0.257236 0.485492 O\n0.742745 0.742740 0.000001 O\n0.257280 0.485528 0.257238 O\n0.257219 0.999964 0.742745 O\n0.742781 0.000037 0.257252 O\n0.742719 0.514472 0.742762 O\n0.485529 0.257288 0.742754 O\n0.514468 0.742715 0.257245 O\n0.000037 0.742784 0.742747 O\n0.999965 0.257214 0.257255 O\n",
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"Mn",
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"volume": 246.1725948734724,
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"formula_full": "Ba1 La3 Mn4 O12",
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"energy": -169.71620601,
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{
"id": "mp-1086665",
"created_at": "2022-09-04T14:47:23.695931Z",
"structure_string": "Nd2 Co2 As2 O2\n1.0\n4.065666 0.000000 0.000000\n0.000000 4.065666 0.000000\n0.000000 0.000000 8.066284\nNd Co As O\n2 2 2 2\ndirect\n0.000000 0.500000 0.854767 Nd\n0.500000 0.000000 0.145233 Nd\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.364000 As\n0.500000 0.000000 0.636000 As\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
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"volume": 133.3327708477694,
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{
"id": "mp-1189573",
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"structure_string": "Hf10 Ir6\n1.0\n3.986714 -6.905192 0.000000\n3.986714 6.905192 0.000000\n0.000000 0.000000 5.527256\nHf Ir\n10 6\ndirect\n0.666667 0.333333 0.000000 Hf\n0.333333 0.666667 0.000000 Hf\n0.333333 0.666667 0.500000 Hf\n0.666667 0.333333 0.500000 Hf\n0.759625 0.759625 0.750000 Hf\n0.240375 0.000000 0.750000 Hf\n0.000000 0.240375 0.750000 Hf\n0.240375 0.240375 0.250000 Hf\n0.759625 0.000000 0.250000 Hf\n0.000000 0.759625 0.250000 Hf\n0.399051 0.399051 0.750000 Ir\n0.600949 0.000000 0.750000 Ir\n0.000000 0.600949 0.750000 Ir\n0.600949 0.600949 0.250000 Ir\n0.399051 0.000000 0.250000 Ir\n0.000000 0.399051 0.250000 Ir\n",
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"formula_full": "Hf10 Ir6",
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{
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{
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"structure_string": "Sn3 Mo1\n1.0\n-2.249819 2.249819 4.426784\n2.249819 -2.249819 4.426784\n2.249819 2.249819 -4.426784\nSn Mo\n3 1\ndirect\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Mo\n",
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{
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{
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}