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{
"id": "mp-5779",
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"structure_string": "Sm6 Ru2 O14\n1.0\n3.711337 -5.400054 0.000000\n3.711337 5.400054 0.000000\n0.000000 0.000000 7.539903\nSm Ru O\n6 2 14\ndirect\n0.475649 0.919938 0.750000 Sm\n0.524351 0.080062 0.250000 Sm\n0.919938 0.475649 0.750000 Sm\n0.080062 0.524351 0.250000 Sm\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.585205 0.585205 0.750000 O\n0.414795 0.414795 0.250000 O\n0.842866 0.107155 0.750000 O\n0.157134 0.892845 0.250000 O\n0.107155 0.842866 0.750000 O\n0.892845 0.157134 0.250000 O\n0.438870 0.185296 0.961132 O\n0.561130 0.814704 0.461132 O\n0.185296 0.438870 0.961132 O\n0.814704 0.561130 0.461132 O\n0.438870 0.185296 0.538868 O\n0.561130 0.814704 0.038868 O\n0.814704 0.561130 0.038868 O\n0.185296 0.438870 0.538868 O\n",
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{
"id": "mp-555525",
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"structure_string": "Sm24 Ru8 O56\n1.0\n7.496966 0.000000 0.000000\n0.000000 10.800746 0.000000\n0.000000 0.000000 14.928383\nSm Ru O\n24 8 56\ndirect\n0.749183 0.952155 0.470804 Sm\n0.755075 0.908701 0.721178 Sm\n0.504211 0.672453 0.389560 Sm\n0.250817 0.452155 0.529196 Sm\n0.734288 0.397312 0.975884 Sm\n0.495969 0.688559 0.860429 Sm\n0.742773 0.463351 0.225506 Sm\n0.244925 0.408701 0.278822 Sm\n0.495789 0.172453 0.610440 Sm\n0.265712 0.897312 0.024116 Sm\n0.242773 0.963351 0.274494 Sm\n0.257227 0.963351 0.774494 Sm\n0.757227 0.463351 0.725506 Sm\n0.234288 0.897312 0.524116 Sm\n0.995789 0.672453 0.889560 Sm\n0.004211 0.172453 0.110440 Sm\n0.744925 0.908701 0.221178 Sm\n0.750817 0.952155 0.970804 Sm\n0.504031 0.188559 0.139571 Sm\n0.255075 0.408701 0.778822 Sm\n0.004031 0.688559 0.360429 Sm\n0.995969 0.188559 0.639571 Sm\n0.249183 0.452155 0.029196 Sm\n0.765712 0.397312 0.475884 Sm\n0.498344 0.679358 0.126389 Ru\n0.001656 0.679358 0.626389 Ru\n0.998698 0.681425 0.124781 Ru\n0.501302 0.681425 0.624781 Ru\n0.498698 0.181425 0.375219 Ru\n0.998344 0.179358 0.373611 Ru\n0.001302 0.181425 0.875219 Ru\n0.501656 0.179358 0.873611 Ru\n0.533794 0.808947 0.531972 O\n0.535690 0.056335 0.280559 O\n0.749329 0.687976 0.168256 O\n0.450768 0.830340 0.191415 O\n0.735112 0.311451 0.618368 O\n0.043476 0.024081 0.438321 O\n0.541617 0.554508 0.531787 O\n0.543476 0.524081 0.061679 O\n0.764888 0.311451 0.118368 O\n0.549232 0.330340 0.808585 O\n0.950768 0.330340 0.308585 O\n0.963450 0.310497 0.780177 O\n0.749006 0.172436 0.417567 O\n0.263657 0.313354 0.643575 O\n0.240730 0.049238 0.631528 O\n0.964310 0.056335 0.780559 O\n0.458383 0.054508 0.468213 O\n0.036550 0.810497 0.219823 O\n0.956524 0.524081 0.561679 O\n0.040926 0.282288 0.484024 O\n0.259270 0.049238 0.131528 O\n0.234077 0.546634 0.394274 O\n0.540926 0.782288 0.015976 O\n0.740730 0.549238 0.868472 O\n0.759270 0.549238 0.368472 O\n0.249006 0.672436 0.082433 O\n0.539954 0.074784 0.763987 O\n0.250671 0.187976 0.831744 O\n0.765923 0.046634 0.605726 O\n0.249329 0.187976 0.331744 O\n0.039954 0.574784 0.736013 O\n0.264888 0.811451 0.381632 O\n0.536550 0.310497 0.280177 O\n0.250994 0.672436 0.582433 O\n0.763657 0.813354 0.856425 O\n0.041617 0.054508 0.968213 O\n0.466206 0.308947 0.468028 O\n0.966206 0.808947 0.031972 O\n0.750671 0.687976 0.668256 O\n0.463450 0.810497 0.719823 O\n0.035690 0.556335 0.219441 O\n0.459074 0.282288 0.984024 O\n0.456524 0.024081 0.938321 O\n0.750994 0.172436 0.917567 O\n0.734077 0.046634 0.105726 O\n0.236343 0.313354 0.143575 O\n0.460046 0.574784 0.236013 O\n0.959074 0.782288 0.515976 O\n0.265923 0.546634 0.894274 O\n0.464310 0.556335 0.719441 O\n0.033794 0.308947 0.968028 O\n0.958383 0.554508 0.031787 O\n0.960046 0.074784 0.263987 O\n0.235112 0.811451 0.881632 O\n0.049232 0.830340 0.691415 O\n0.736343 0.813354 0.356425 O\n",
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"formula_full": "Sm24 Ru8 O56",
"formula_reduced": "Sm3RuO7",
"formula_anonymous": "AB3C7",
"energy": -739.4072514200001,
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"spacegroup": 33
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{
"id": "mp-1209143",
"created_at": "2022-09-04T14:43:20.390778Z",
"structure_string": "Sm8 Ru4 O20\n1.0\n3.936313 0.000000 0.000000\n0.000000 10.539453 0.000000\n0.000000 0.000000 11.529529\nSm Ru O\n8 4 20\ndirect\n0.250000 0.604183 0.231210 Sm\n0.750000 0.395817 0.768790 Sm\n0.750000 0.895817 0.731210 Sm\n0.250000 0.104183 0.268790 Sm\n0.250000 0.632806 0.564913 Sm\n0.750000 0.367194 0.435087 Sm\n0.750000 0.867194 0.064913 Sm\n0.250000 0.132806 0.935087 Sm\n0.250000 0.686830 0.883041 Ru\n0.750000 0.313170 0.116959 Ru\n0.750000 0.813170 0.383041 Ru\n0.250000 0.186830 0.616959 Ru\n0.250000 0.989915 0.096882 O\n0.750000 0.010085 0.903118 O\n0.750000 0.510085 0.596882 O\n0.250000 0.489915 0.403118 O\n0.250000 0.721265 0.046265 O\n0.750000 0.278735 0.953735 O\n0.750000 0.778735 0.546265 O\n0.250000 0.221265 0.453735 O\n0.250000 0.771289 0.728196 O\n0.750000 0.228711 0.271804 O\n0.750000 0.728711 0.228196 O\n0.250000 0.271289 0.771804 O\n0.250000 0.528906 0.803384 O\n0.750000 0.471094 0.196616 O\n0.750000 0.971094 0.303384 O\n0.250000 0.028906 0.696616 O\n0.250000 0.762825 0.385777 O\n0.750000 0.237175 0.614223 O\n0.750000 0.737175 0.885777 O\n0.250000 0.262825 0.114223 O\n",
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"elements": [
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"chemical_system": "O-Ru-Sm",
"density": 6.690289396290579,
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"formula_full": "Sm8 Ru4 O20",
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"formula_anonymous": "AB2C5",
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"updated_at": "2021-11-28T01:36:11.732000Z",
"spacegroup": 62
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{
"id": "mp-17113",
"created_at": "2022-09-04T14:40:02.381930Z",
"structure_string": "Sm4 Ru4 O14\n1.0\n0.000000 5.178996 5.178996\n5.178996 0.000000 5.178996\n5.178996 5.178996 0.000000\nSm Ru O\n4 4 14\ndirect\n0.625000 0.625000 0.625000 Sm\n0.125000 0.625000 0.625000 Sm\n0.625000 0.625000 0.125000 Sm\n0.625000 0.125000 0.625000 Sm\n0.125000 0.125000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n0.125000 0.125000 0.625000 Ru\n0.125000 0.625000 0.125000 Ru\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n0.043689 0.043689 0.456311 O\n0.793689 0.793689 0.206311 O\n0.456311 0.043689 0.456311 O\n0.456311 0.043689 0.043689 O\n0.043689 0.456311 0.456311 O\n0.043689 0.456311 0.043689 O\n0.456311 0.456311 0.043689 O\n0.206311 0.793689 0.793689 O\n0.793689 0.206311 0.206311 O\n0.206311 0.206311 0.793689 O\n0.206311 0.793689 0.206311 O\n0.793689 0.206311 0.793689 O\n",
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{
"id": "mp-1198561",
"created_at": "2022-09-04T14:47:40.104542Z",
"structure_string": "Sn15 Ru3 O14\n1.0\n0.000000 -7.209787 0.000000\n-6.304976 -3.604893 0.000000\n-2.112805 -3.604893 -12.469614\nSn Ru O\n15 3 14\ndirect\n0.901676 0.019046 0.177602 Sn\n0.487662 0.604817 0.419860 Sn\n0.489339 0.081500 0.425841 Sn\n0.003321 0.081500 0.425841 Sn\n0.095311 0.149602 0.659776 Sn\n0.442909 0.988964 0.125219 Sn\n0.151546 0.777720 0.919187 Sn\n0.429485 0.499726 0.161659 Sn\n0.909130 0.499726 0.161659 Sn\n0.680226 0.751660 0.887888 Sn\n0.672711 0.270194 0.911706 Sn\n0.145389 0.270194 0.911706 Sn\n0.577868 0.673948 0.653244 Sn\n0.094940 0.673948 0.653244 Sn\n0.015346 0.588660 0.380648 Sn\n0.697872 0.298777 0.305478 Ru\n0.884361 0.462424 0.768855 Ru\n0.288998 0.387528 0.034476 Ru\n0.123158 0.715125 0.465709 O\n0.696008 0.715125 0.465709 O\n0.958910 0.073555 0.008626 O\n0.122017 0.281304 0.474661 O\n0.624812 0.692965 0.057410 O\n0.423535 0.564682 0.588249 O\n0.343112 0.943057 0.370718 O\n0.425028 0.003934 0.593334 O\n0.977703 0.003934 0.593334 O\n0.354252 0.944742 0.883235 O\n0.817771 0.944742 0.883235 O\n0.744261 0.837258 0.182224 O\n0.236256 0.837258 0.182224 O\n0.225456 0.800873 0.748214 O\n",
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"volume": 566.8379023732725,
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"formula_full": "Sn15 Ru3 O14",
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"formula_anonymous": "A3B14C15",
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{
"id": "mp-1192792",
"created_at": "2022-09-04T14:40:23.776884Z",
"structure_string": "Sr4 Ru4 O12\n1.0\n13.159769 0.000000 0.000000\n0.000000 13.167603 0.000000\n0.000000 0.000000 17.986770\nSr Ru O\n4 4 12\ndirect\n0.504777 0.510503 0.250000 Sr\n0.995223 0.010503 0.250000 Sr\n0.495223 0.489497 0.750000 Sr\n0.004777 0.989497 0.750000 Sr\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.957749 0.976534 0.002191 O\n0.542251 0.476534 0.497809 O\n0.042251 0.023466 0.502191 O\n0.457749 0.523466 0.997809 O\n0.042251 0.023466 0.997809 O\n0.457749 0.523466 0.502191 O\n0.957749 0.976534 0.497809 O\n0.542251 0.476534 0.002191 O\n0.558422 0.994022 0.250000 O\n0.941578 0.494022 0.250000 O\n0.441578 0.005978 0.750000 O\n0.058422 0.505978 0.750000 O\n",
"nsites": 20,
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"density": 0.5044028412354403,
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"volume": 3116.7945187666323,
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"formula_full": "Sr4 Ru4 O12",
"formula_reduced": "SrRuO3",
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"updated_at": "2021-11-28T01:34:54.111000Z",
"spacegroup": 62
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{
"id": "mp-1079784",
"created_at": "2022-09-04T14:41:11.435180Z",
"structure_string": "Sr2 Ru4 O12\n1.0\n-2.654171 -4.597147 0.000008\n-2.654171 4.597147 -0.000004\n0.000009 0.000013 -10.521896\nSr Ru O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000001 0.500000 Sr\n0.666666 0.333334 0.750006 Ru\n0.333334 0.666667 0.249997 Ru\n0.666666 0.333332 0.249997 Ru\n0.333334 0.666667 0.750006 Ru\n0.619834 0.619943 0.350168 O\n0.619869 0.619909 0.850166 O\n0.000110 0.380167 0.350167 O\n0.000041 0.380132 0.850166 O\n0.380058 0.999892 0.350167 O\n0.380093 0.999962 0.850166 O\n0.619832 0.999890 0.149834 O\n0.619870 0.999959 0.649831 O\n0.380057 0.380166 0.149834 O\n0.380090 0.380129 0.649831 O\n0.000108 0.619941 0.149834 O\n0.000038 0.619910 0.649831 O\n",
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"formula_full": "Sr2 Ru4 O12",
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{
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