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"results": [
{
"id": "mp-1182773",
"created_at": "2022-09-04T14:40:06.101437Z",
"structure_string": "Ba4 Gd8 Te16\n1.0\n4.532021 0.000000 0.000000\n0.000000 13.888287 0.000000\n0.000000 0.000000 16.409735\nBa Gd Te\n4 8 16\ndirect\n0.250000 0.240157 0.331774 Ba\n0.250000 0.740157 0.168226 Ba\n0.750000 0.759843 0.668226 Ba\n0.750000 0.259843 0.831774 Ba\n0.250000 0.080585 0.596975 Gd\n0.250000 0.580585 0.903025 Gd\n0.750000 0.919415 0.403025 Gd\n0.750000 0.419415 0.096975 Gd\n0.250000 0.561815 0.390548 Gd\n0.250000 0.061815 0.109452 Gd\n0.750000 0.438185 0.609452 Gd\n0.750000 0.938185 0.890548 Gd\n0.250000 0.088748 0.922320 Te\n0.250000 0.588748 0.577680 Te\n0.750000 0.911252 0.077680 Te\n0.750000 0.411252 0.422320 Te\n0.250000 0.294130 0.665111 Te\n0.250000 0.794130 0.834889 Te\n0.750000 0.705870 0.334889 Te\n0.750000 0.205870 0.165111 Te\n0.250000 0.371341 0.972145 Te\n0.250000 0.871341 0.527855 Te\n0.750000 0.628659 0.027855 Te\n0.750000 0.128659 0.472145 Te\n0.250000 0.474364 0.216104 Te\n0.250000 0.974364 0.283896 Te\n0.750000 0.525636 0.783896 Te\n0.750000 0.025636 0.716104 Te\n",
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{
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"structure_string": "La20 Si16\n1.0\n8.044392 0.000000 0.000000\n0.000000 8.044392 0.000000\n0.000000 0.000000 15.547280\nLa Si\n20 16\ndirect\n0.374445 0.479452 0.373624 La\n0.874445 0.020548 0.376376 La\n0.979452 0.125555 0.123624 La\n0.020548 0.874445 0.623624 La\n0.625555 0.520548 0.873624 La\n0.479452 0.374445 0.626376 La\n0.520548 0.625555 0.126376 La\n0.125555 0.979452 0.876376 La\n0.988755 0.620228 0.052958 La\n0.011245 0.379772 0.552958 La\n0.620228 0.988755 0.947042 La\n0.120228 0.511245 0.802958 La\n0.879772 0.488755 0.302958 La\n0.511245 0.120228 0.197042 La\n0.488755 0.879772 0.697042 La\n0.379772 0.011245 0.447042 La\n0.692836 0.692836 0.500000 La\n0.807164 0.192836 0.750000 La\n0.192836 0.807164 0.250000 La\n0.307164 0.307164 0.000000 La\n0.079972 0.711055 0.440753 Si\n0.920028 0.288945 0.940753 Si\n0.711055 0.079972 0.559247 Si\n0.211056 0.420028 0.190753 Si\n0.788945 0.579972 0.690753 Si\n0.420028 0.211056 0.809247 Si\n0.579972 0.788945 0.309247 Si\n0.288945 0.920028 0.059247 Si\n0.829121 0.805305 0.795699 Si\n0.170879 0.194695 0.295699 Si\n0.805305 0.829121 0.204301 Si\n0.305305 0.670879 0.545699 Si\n0.694695 0.329121 0.045699 Si\n0.670879 0.305305 0.454301 Si\n0.329121 0.694695 0.954301 Si\n0.194695 0.170879 0.704301 Si\n",
"nsites": 36,
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"elements": [
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"formula_full": "La20 Si16",
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{
"id": "mp-570259",
"created_at": "2022-09-04T14:40:07.170818Z",
"structure_string": "Mg1 Cl2\n1.0\n1.838415 -3.184229 0.000000\n1.838415 3.184229 0.000000\n0.000000 0.000000 6.415652\nMg Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.213751 Cl\n0.666667 0.333333 0.786249 Cl\n",
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},
{
"id": "mp-569025",
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"structure_string": "Ba38 Na58 Li26\n1.0\n16.736538 0.000000 9.662844\n5.578846 15.779359 9.662844\n0.000000 0.000000 19.325689\nBa Na Li\n38 58 26\ndirect\n0.042404 0.641171 0.274022 Ba\n0.274022 0.641171 0.042404 Ba\n0.655727 0.655727 0.032818 Ba\n0.496817 0.496817 0.126937 Ba\n0.042404 0.042404 0.274022 Ba\n0.906965 0.279104 0.906965 Ba\n0.906965 0.906965 0.906965 Ba\n0.496817 0.126937 0.496817 Ba\n0.042404 0.274022 0.042404 Ba\n0.405404 0.405404 0.783789 Ba\n0.042404 0.274022 0.641171 Ba\n0.906965 0.906965 0.279104 Ba\n0.279104 0.906965 0.906965 Ba\n0.126937 0.879429 0.496817 Ba\n0.496817 0.496817 0.879429 Ba\n0.126937 0.496817 0.879429 Ba\n0.641171 0.042404 0.274022 Ba\n0.879429 0.496817 0.496817 Ba\n0.879429 0.496817 0.126937 Ba\n0.750000 0.750000 0.750000 Ba\n0.655727 0.032818 0.655727 Ba\n0.783789 0.405404 0.405404 Ba\n0.496817 0.126937 0.879429 Ba\n0.496817 0.879429 0.496817 Ba\n0.405404 0.405404 0.405404 Ba\n0.274022 0.042404 0.042404 Ba\n0.042404 0.641171 0.042404 Ba\n0.274022 0.042404 0.641171 Ba\n0.405404 0.783789 0.405404 Ba\n0.655727 0.655727 0.655727 Ba\n0.126937 0.496817 0.496817 Ba\n0.032818 0.655727 0.655727 Ba\n0.641171 0.042404 0.042404 Ba\n0.879429 0.126937 0.496817 Ba\n0.496817 0.879429 0.126937 Ba\n0.500000 0.500000 0.500000 Ba\n0.641171 0.274022 0.042404 Ba\n0.042404 0.042404 0.641171 Ba\n0.511950 0.698802 0.894624 Na\n0.267658 0.267658 0.832045 Na\n0.632639 0.267658 0.267658 Na\n0.049316 0.852053 0.049316 Na\n0.081763 0.762910 0.762910 Na\n0.762910 0.081763 0.392418 Na\n0.049316 0.049316 0.852053 Na\n0.832045 0.267658 0.632639 Na\n0.698802 0.894624 0.894624 Na\n0.454963 0.266899 0.639069 Na\n0.267658 0.632639 0.832045 Na\n0.639069 0.266899 0.454963 Na\n0.267658 0.632639 0.267658 Na\n0.639069 0.454963 0.639069 Na\n0.632639 0.832045 0.267658 Na\n0.454963 0.639069 0.639069 Na\n0.081763 0.392418 0.762910 Na\n0.511950 0.894624 0.698802 Na\n0.639069 0.639069 0.454963 Na\n0.894624 0.698802 0.894624 Na\n0.762910 0.762910 0.081763 Na\n0.639069 0.639069 0.266899 Na\n0.639069 0.454963 0.266899 Na\n0.392418 0.762910 0.081763 Na\n0.049316 0.049316 0.049316 Na\n0.840864 0.159136 0.840864 Na\n0.840864 0.159136 0.159136 Na\n0.632639 0.267658 0.832045 Na\n0.267658 0.832045 0.632639 Na\n0.392418 0.762910 0.762910 Na\n0.639069 0.266899 0.639069 Na\n0.840864 0.840864 0.159136 Na\n0.894624 0.894624 0.511950 Na\n0.511950 0.894624 0.894624 Na\n0.762910 0.392418 0.762910 Na\n0.852053 0.049316 0.049316 Na\n0.762910 0.081763 0.762910 Na\n0.159136 0.159136 0.840864 Na\n0.081763 0.762910 0.392418 Na\n0.832045 0.632639 0.267658 Na\n0.894624 0.511950 0.698802 Na\n0.762910 0.392418 0.081763 Na\n0.698802 0.894624 0.511950 Na\n0.832045 0.267658 0.267658 Na\n0.392418 0.081763 0.762910 Na\n0.267658 0.267658 0.632639 Na\n0.698802 0.511950 0.894624 Na\n0.267658 0.832045 0.267658 Na\n0.454963 0.639069 0.266899 Na\n0.266899 0.639069 0.639069 Na\n0.894624 0.511950 0.894624 Na\n0.894624 0.894624 0.698802 Na\n0.159136 0.840864 0.159136 Na\n0.894624 0.698802 0.511950 Na\n0.159136 0.840864 0.840864 Na\n0.266899 0.639069 0.454963 Na\n0.266899 0.454963 0.639069 Na\n0.762910 0.762910 0.392418 Na\n0.181623 0.181623 0.181623 Li\n0.181623 0.181623 0.455131 Li\n0.994094 0.456260 0.274823 Li\n0.387472 0.387472 0.112528 Li\n0.455131 0.181623 0.181623 Li\n0.289396 0.289396 0.131811 Li\n0.112528 0.387472 0.387472 Li\n0.274823 0.274823 0.994094 Li\n0.456260 0.274823 0.994094 Li\n0.274823 0.994094 0.456260 Li\n0.181623 0.455131 0.181623 Li\n0.274823 0.456260 0.274823 Li\n0.274823 0.274823 0.456260 Li\n0.456260 0.274823 0.274823 Li\n0.274823 0.994094 0.274823 Li\n0.131811 0.289396 0.289396 Li\n0.289396 0.131811 0.289396 Li\n0.456260 0.994094 0.274823 Li\n0.387472 0.112528 0.387472 Li\n0.289396 0.289396 0.289396 Li\n0.274823 0.456260 0.994094 Li\n0.112528 0.387472 0.112528 Li\n0.994094 0.274823 0.456260 Li\n0.387472 0.112528 0.112528 Li\n0.994094 0.274823 0.274823 Li\n0.112528 0.112528 0.387472 Li\n",
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"formula_full": "Ba38 Na58 Li26",
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"spacegroup": 216
},
{
"id": "mp-568273",
"created_at": "2022-09-04T14:40:06.120003Z",
"structure_string": "Li2 I2\n1.0\n2.122540 -3.676348 0.000000\n2.122540 3.676348 0.000000\n0.000000 0.000000 6.978563\nLi I\n2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.333333 0.666667 0.250000 I\n0.666667 0.333333 0.750000 I\n",
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{
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"structure_string": "Cr8 Fe4 N4 O32\n1.0\n15.896916 0.000000 0.000000\n0.000000 5.623407 0.000000\n0.000000 0.103386 8.572016\nCr Fe N O\n8 4 4 32\ndirect\n0.364181 0.000604 0.287890 Cr\n0.864181 0.999396 0.712110 Cr\n0.132644 0.497079 0.208500 Cr\n0.632644 0.502921 0.791500 Cr\n0.168626 0.986795 0.610680 Cr\n0.668626 0.013205 0.389320 Cr\n0.328408 0.514505 0.886639 Cr\n0.828408 0.485495 0.113361 Cr\n0.196640 0.009292 0.008978 Fe\n0.696640 0.990708 0.991022 Fe\n0.300886 0.490426 0.487931 Fe\n0.800886 0.509574 0.512069 Fe\n0.956701 0.988542 0.247184 N\n0.456701 0.011458 0.752816 N\n0.046834 0.486121 0.747965 N\n0.546834 0.513879 0.252035 N\n0.086772 0.008593 0.501274 O\n0.586772 0.991407 0.498726 O\n0.410153 0.491509 0.996123 O\n0.910153 0.508491 0.003877 O\n0.436604 0.986085 0.157952 O\n0.936604 0.013915 0.842048 O\n0.059442 0.514939 0.336649 O\n0.559442 0.485061 0.663351 O\n0.270121 0.006474 0.202215 O\n0.770121 0.993526 0.797785 O\n0.226228 0.490591 0.296334 O\n0.726228 0.509409 0.703666 O\n0.140100 0.996914 0.800151 O\n0.640100 0.003086 0.199849 O\n0.356978 0.501580 0.697240 O\n0.856978 0.498420 0.302760 O\n0.127985 0.738818 0.088746 O\n0.627985 0.261182 0.911254 O\n0.119296 0.245848 0.103295 O\n0.619296 0.754152 0.896705 O\n0.377381 0.250714 0.394437 O\n0.877381 0.749286 0.605563 O\n0.370275 0.757402 0.406395 O\n0.870275 0.242598 0.593605 O\n0.233706 0.212209 0.567928 O\n0.733706 0.787791 0.432072 O\n0.217932 0.728170 0.572102 O\n0.717932 0.271830 0.427898 O\n0.280290 0.775502 0.923625 O\n0.780290 0.224498 0.076375 O\n0.262418 0.291422 0.930341 O\n0.762418 0.708578 0.069659 O\n",
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{
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"structure_string": "Ga2 As2 O8\n1.0\n3.512584 -3.710325 0.000000\n3.512584 3.710325 0.000000\n0.000000 0.000000 7.132547\nGa As O\n2 2 8\ndirect\n0.826947 0.826947 0.500000 Ga\n0.173053 0.173053 0.000000 Ga\n0.679113 0.320887 0.250000 As\n0.320887 0.679113 0.750000 As\n0.788474 0.179989 0.452375 O\n0.820011 0.211526 0.047625 O\n0.211526 0.820011 0.952375 O\n0.179989 0.788474 0.547625 O\n0.347946 0.261221 0.221188 O\n0.738779 0.652054 0.278812 O\n0.652054 0.738779 0.721188 O\n0.261221 0.347946 0.778812 O\n",
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{
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