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{
"id": "mp-9693",
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{
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"structure_string": "Ho1 Cd1 Ag2\n1.0\n0.000000 3.497158 3.497158\n3.497158 0.000000 3.497158\n3.497158 3.497158 0.000000\nHo Cd Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
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{
"id": "mp-1094461",
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"structure_string": "Mg2 Zn4\n1.0\n2.405044 4.408048 0.000000\n-2.405044 4.408048 0.000000\n0.000000 3.239342 4.817644\nMg Zn\n2 4\ndirect\n0.085315 0.914685 0.750000 Mg\n0.914685 0.085315 0.250000 Mg\n0.251816 0.417823 0.238189 Zn\n0.582177 0.748184 0.261811 Zn\n0.417823 0.251816 0.738189 Zn\n0.748184 0.582177 0.761811 Zn\n",
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{
"id": "mp-734141",
"created_at": "2022-09-04T14:41:28.318238Z",
"structure_string": "Cu4 C8 S8 N16\n1.0\n6.174389 0.000000 0.000000\n0.000000 8.601036 0.000000\n0.000000 0.000000 13.839396\nCu C S N\n4 8 8 16\ndirect\n0.251230 0.110968 0.677879 Cu\n0.748770 0.610968 0.322121 Cu\n0.751230 0.610968 0.822121 Cu\n0.248770 0.110968 0.177879 Cu\n0.242503 0.423153 0.776497 C\n0.757497 0.923153 0.223503 C\n0.742503 0.923153 0.723503 C\n0.257497 0.423153 0.276497 C\n0.748138 0.289683 0.909098 C\n0.251862 0.789683 0.090902 C\n0.248138 0.789683 0.590902 C\n0.751862 0.289683 0.409098 C\n0.739294 0.091153 0.671034 S\n0.260706 0.591153 0.328966 S\n0.239294 0.591153 0.828966 S\n0.760706 0.091153 0.171034 S\n0.746848 0.114717 0.950094 S\n0.253152 0.614717 0.049906 S\n0.246848 0.614717 0.549906 S\n0.753152 0.114717 0.450094 S\n0.246657 0.303856 0.734273 N\n0.753343 0.803856 0.265727 N\n0.746657 0.803856 0.765727 N\n0.253343 0.303856 0.234273 N\n0.752493 0.416237 0.875416 N\n0.247507 0.916237 0.124584 N\n0.252493 0.916237 0.624584 N\n0.747507 0.416237 0.375416 N\n0.252428 0.198121 0.551447 N\n0.747572 0.698121 0.448553 N\n0.752428 0.698121 0.948553 N\n0.247572 0.198121 0.051447 N\n0.240829 0.022811 0.803933 N\n0.759171 0.522811 0.196067 N\n0.740829 0.522811 0.696067 N\n0.259171 0.022811 0.303933 N\n",
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],
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"formula_full": "Cu4 C8 S8 N16",
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"energy": -219.12794083,
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},
{
"id": "mp-1219339",
"created_at": "2022-09-04T14:41:28.322761Z",
"structure_string": "Si13 Rh20\n1.0\n5.999299 -10.391090 0.000000\n5.999299 10.391090 0.000000\n0.000000 0.000000 3.634048\nSi Rh\n13 20\ndirect\n0.165609 0.549712 0.250079 Si\n0.450288 0.615897 0.250079 Si\n0.384103 0.834391 0.250079 Si\n0.834391 0.450288 0.749921 Si\n0.549712 0.384103 0.749921 Si\n0.615897 0.165609 0.749921 Si\n0.000000 0.000000 0.000000 Si\n0.107367 0.769053 0.247726 Si\n0.230947 0.338314 0.247726 Si\n0.661686 0.892633 0.247726 Si\n0.892633 0.230947 0.752274 Si\n0.769053 0.661686 0.752274 Si\n0.338314 0.107367 0.752274 Si\n0.666667 0.333333 0.248798 Rh\n0.333333 0.666667 0.751202 Rh\n0.816045 0.812047 0.246948 Rh\n0.187953 0.003998 0.246948 Rh\n0.996002 0.183955 0.246948 Rh\n0.183955 0.187953 0.753052 Rh\n0.812047 0.996002 0.753052 Rh\n0.003998 0.816045 0.753052 Rh\n0.871297 0.600143 0.252394 Rh\n0.399857 0.271153 0.252394 Rh\n0.728847 0.128703 0.252394 Rh\n0.128703 0.399857 0.747606 Rh\n0.600143 0.728847 0.747606 Rh\n0.271153 0.871297 0.747606 Rh\n0.928877 0.390325 0.250899 Rh\n0.609675 0.538552 0.250899 Rh\n0.461448 0.071123 0.250899 Rh\n0.071123 0.609675 0.749101 Rh\n0.390325 0.461448 0.749101 Rh\n0.538552 0.928877 0.749101 Rh\n",
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"elements": [
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"density": 8.880960579587397,
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"volume": 453.087696056635,
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"formula_full": "Si13 Rh20",
"formula_reduced": "Si13Rh20",
"formula_anonymous": "A13B20",
"energy": -242.41966872,
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"updated_at": "2021-11-28T01:35:22.920000Z",
"spacegroup": 147
},
{
"id": "mp-16194",
"created_at": "2022-09-04T14:41:28.354232Z",
"structure_string": "Rb24 Si12 O36\n1.0\n13.727536 0.000000 0.000000\n0.000000 6.599554 0.000000\n0.000000 5.114309 15.768657\nRb Si O\n24 12 36\ndirect\n0.370204 0.098687 0.136170 Rb\n0.167458 0.545783 0.988394 Rb\n0.332542 0.545783 0.488394 Rb\n0.832542 0.454217 0.011606 Rb\n0.629796 0.901313 0.863830 Rb\n0.129796 0.098687 0.636170 Rb\n0.667458 0.454217 0.511606 Rb\n0.870204 0.901313 0.363830 Rb\n0.316245 0.867689 0.801043 Rb\n0.816245 0.132311 0.698957 Rb\n0.683755 0.132311 0.198957 Rb\n0.183755 0.867689 0.301043 Rb\n0.015840 0.642695 0.784225 Rb\n0.515840 0.357305 0.715775 Rb\n0.984160 0.357305 0.215775 Rb\n0.484160 0.642695 0.284225 Rb\n0.083590 0.719664 0.528358 Rb\n0.583590 0.280336 0.971642 Rb\n0.916410 0.280336 0.471642 Rb\n0.416410 0.719664 0.028358 Rb\n0.099542 0.992829 0.083700 Rb\n0.599542 0.007171 0.416300 Rb\n0.900458 0.007171 0.916300 Rb\n0.400458 0.992829 0.583700 Rb\n0.854833 0.731342 0.608569 Si\n0.354833 0.268658 0.891431 Si\n0.145167 0.268658 0.391431 Si\n0.645167 0.731342 0.108569 Si\n0.639485 0.841510 0.638168 Si\n0.139485 0.158490 0.861832 Si\n0.360515 0.158490 0.361832 Si\n0.860515 0.841510 0.138168 Si\n0.762569 0.550982 0.786803 Si\n0.262569 0.449018 0.713197 Si\n0.237431 0.449018 0.213197 Si\n0.737431 0.550982 0.286803 Si\n0.942054 0.892783 0.614704 O\n0.442054 0.107217 0.885296 O\n0.057946 0.107217 0.385296 O\n0.557946 0.892783 0.114704 O\n0.869886 0.604126 0.540051 O\n0.369886 0.395874 0.959949 O\n0.130114 0.395874 0.459949 O\n0.630114 0.604126 0.040051 O\n0.106759 0.930557 0.852861 O\n0.606759 0.069443 0.647139 O\n0.893241 0.069443 0.147139 O\n0.393241 0.930557 0.352861 O\n0.565572 0.734321 0.586808 O\n0.065572 0.265679 0.913192 O\n0.434428 0.265679 0.413192 O\n0.934428 0.734321 0.086808 O\n0.809696 0.702436 0.837682 O\n0.840261 0.669383 0.236792 O\n0.190304 0.297564 0.162318 O\n0.690304 0.702436 0.337682 O\n0.738966 0.306574 0.841693 O\n0.238966 0.693426 0.658307 O\n0.261034 0.693426 0.158307 O\n0.761034 0.306574 0.341693 O\n0.836834 0.549222 0.705121 O\n0.336834 0.450778 0.794879 O\n0.163166 0.450778 0.294879 O\n0.663166 0.549222 0.205121 O\n0.750024 0.874124 0.589530 O\n0.250024 0.125876 0.910470 O\n0.249976 0.125876 0.410470 O\n0.749976 0.874124 0.089530 O\n0.659739 0.669383 0.736792 O\n0.159739 0.330617 0.763208 O\n0.340261 0.330617 0.263208 O\n0.309696 0.297564 0.662318 O\n",
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{
"id": "mp-1106085",
"created_at": "2022-09-04T14:41:28.667325Z",
"structure_string": "Nb4 Pd2 S10\n1.0\n1.654413 6.283239 0.000000\n-1.654413 6.283239 0.000000\n0.000000 3.464803 14.999925\nNb Pd S\n4 2 10\ndirect\n0.576558 0.576558 0.819012 Nb\n0.423442 0.423442 0.180988 Nb\n0.152547 0.152547 0.625152 Nb\n0.847453 0.847453 0.374848 Nb\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.352215 0.352215 0.506055 S\n0.647785 0.647785 0.493945 S\n0.749178 0.749178 0.701685 S\n0.250822 0.250822 0.298315 S\n0.170258 0.170258 0.897047 S\n0.829742 0.829742 0.102953 S\n0.928793 0.928793 0.870865 S\n0.071207 0.071207 0.129135 S\n0.504708 0.504708 0.682458 S\n0.495292 0.495292 0.317542 S\n",
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"formula_full": "Nb4 Pd2 S10",
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{
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