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{
"id": "mp-645346",
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"structure_string": "K12 Cr4 C24 N24\n1.0\n8.543963 0.000000 0.000000\n0.000000 10.618660 0.000000\n0.000000 0.000000 13.715182\nK Cr C N\n12 4 24 24\ndirect\n0.873798 0.267150 0.502064 K\n0.370303 0.000000 0.250000 K\n0.870303 0.500000 0.250000 K\n0.129697 0.500000 0.750000 K\n0.626202 0.767150 0.497936 K\n0.629697 0.000000 0.750000 K\n0.126202 0.267150 0.002064 K\n0.626202 0.232850 0.002064 K\n0.373798 0.767150 0.997936 K\n0.873798 0.732850 0.997936 K\n0.126202 0.732850 0.497936 K\n0.373798 0.232850 0.502064 K\n0.875391 0.000000 0.250000 Cr\n0.624609 0.500000 0.750000 Cr\n0.375391 0.500000 0.250000 Cr\n0.124609 0.000000 0.750000 Cr\n0.955593 0.944125 0.652060 C\n0.203434 0.556226 0.154444 C\n0.796566 0.443774 0.845556 C\n0.544407 0.444125 0.347940 C\n0.455593 0.444125 0.847940 C\n0.624773 0.675449 0.813982 C\n0.875227 0.824551 0.313982 C\n0.044407 0.944125 0.152060 C\n0.375227 0.324551 0.186018 C\n0.044407 0.055875 0.347940 C\n0.124773 0.824551 0.813982 C\n0.296566 0.056226 0.845556 C\n0.624773 0.324551 0.686018 C\n0.124773 0.175449 0.686018 C\n0.703434 0.943774 0.154444 C\n0.955593 0.055875 0.847940 C\n0.875227 0.175449 0.186018 C\n0.296566 0.943774 0.654444 C\n0.455593 0.555875 0.652060 C\n0.203434 0.443774 0.345556 C\n0.375227 0.675449 0.313982 C\n0.796566 0.556226 0.654444 C\n0.703434 0.056226 0.345556 C\n0.544407 0.555875 0.152060 C\n0.100815 0.585857 0.101948 N\n0.600815 0.085857 0.398052 N\n0.140708 0.090165 0.403580 N\n0.359292 0.590165 0.596420 N\n0.600815 0.914143 0.101948 N\n0.640708 0.409835 0.403580 N\n0.399185 0.085857 0.898052 N\n0.140708 0.909835 0.096420 N\n0.874606 0.726072 0.353066 N\n0.399185 0.914143 0.601948 N\n0.100815 0.414143 0.398052 N\n0.359292 0.409835 0.903580 N\n0.859292 0.090165 0.903580 N\n0.125394 0.726072 0.853066 N\n0.374606 0.773928 0.353066 N\n0.374606 0.226072 0.146934 N\n0.899185 0.585857 0.601948 N\n0.859292 0.909835 0.596420 N\n0.640708 0.590165 0.096420 N\n0.899185 0.414143 0.898052 N\n0.625394 0.773928 0.853066 N\n0.125394 0.273928 0.646934 N\n0.874606 0.273928 0.146934 N\n0.625394 0.226072 0.646934 N\n",
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"spacegroup": 60
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{
"id": "mp-1217398",
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"structure_string": "Tc1 Mo1\n1.0\n1.549051 -2.240362 0.000000\n1.549051 2.240362 0.000000\n0.000000 0.000000 4.422491\nTc Mo\n1 1\ndirect\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Mo\n",
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},
{
"id": "mp-29082",
"created_at": "2022-09-04T14:46:23.292731Z",
"structure_string": "Ba10 Cr2 N10\n1.0\n5.944621 5.335665 0.000000\n-5.944621 5.335665 0.000000\n0.000000 3.395514 8.885223\nBa Cr N\n10 2 10\ndirect\n0.388670 0.388670 0.383375 Ba\n0.611330 0.611330 0.616625 Ba\n0.664179 0.664179 0.007261 Ba\n0.335821 0.335821 0.992739 Ba\n0.925165 0.925165 0.200852 Ba\n0.074835 0.074835 0.799148 Ba\n0.563281 0.092468 0.758297 Ba\n0.907532 0.436719 0.241703 Ba\n0.436719 0.907532 0.241703 Ba\n0.092468 0.563281 0.758297 Ba\n0.757407 0.242593 0.000000 Cr\n0.242593 0.757407 0.000000 Cr\n0.651865 0.651865 0.311864 N\n0.348135 0.348135 0.688136 N\n0.716637 0.023928 0.992217 N\n0.976072 0.283363 0.007783 N\n0.283363 0.976072 0.007783 N\n0.023928 0.716637 0.992217 N\n0.386481 0.730302 0.838648 N\n0.269698 0.613519 0.161351 N\n0.613519 0.269698 0.161351 N\n0.730302 0.386481 0.838648 N\n",
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{
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"created_at": "2022-09-04T14:46:23.116301Z",
"structure_string": "Mn6 P24\n1.0\n13.683431 0.000000 0.000000\n0.000000 4.762392 0.000000\n0.000000 1.469083 6.876557\nMn P\n6 24\ndirect\n0.500000 0.000000 0.500000 Mn\n0.665753 0.868372 0.869320 Mn\n0.000000 0.000000 0.000000 Mn\n0.834247 0.868372 0.369320 Mn\n0.165753 0.131628 0.630680 Mn\n0.334247 0.131628 0.130680 Mn\n0.274595 0.922032 0.873391 P\n0.225405 0.922032 0.373391 P\n0.052253 0.790043 0.750041 P\n0.386093 0.735469 0.701286 P\n0.447747 0.790043 0.250041 P\n0.608829 0.643097 0.640269 P\n0.943577 0.628013 0.566688 P\n0.779189 0.508528 0.958091 P\n0.113907 0.735469 0.201286 P\n0.891171 0.643097 0.140269 P\n0.279189 0.491472 0.541909 P\n0.556423 0.628013 0.066688 P\n0.443577 0.371987 0.933312 P\n0.720811 0.508528 0.458091 P\n0.108829 0.356903 0.859731 P\n0.886093 0.264531 0.798714 P\n0.220811 0.491472 0.041909 P\n0.056423 0.371987 0.433312 P\n0.391171 0.356903 0.359731 P\n0.552253 0.209957 0.749959 P\n0.613907 0.264531 0.298714 P\n0.947747 0.209957 0.249959 P\n0.774595 0.077968 0.626609 P\n0.725405 0.077968 0.126609 P\n",
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"density": 3.9760976517458197,
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{
"id": "mp-631581",
"created_at": "2022-09-04T14:46:23.120416Z",
"structure_string": "Ag2 B1 Br1\n1.0\n0.000000 3.340079 3.340079\n3.340079 0.000000 3.340079\n3.340079 3.340079 0.000000\nAg B Br\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.500000 Br\n",
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{
"id": "mp-1177938",
"created_at": "2022-09-04T14:46:23.122699Z",
"structure_string": "Li2 Mn3 Fe1 O8\n1.0\n5.117525 -2.966604 0.000000\n5.117525 2.966604 0.000000\n3.397800 0.000000 4.841978\nLi Mn Fe O\n2 3 1 8\ndirect\n0.884082 0.884082 0.884082 Li\n0.502090 0.502090 0.502090 Li\n0.989450 0.502472 0.502472 Mn\n0.502472 0.989450 0.502472 Mn\n0.502472 0.502472 0.989450 Mn\n0.116758 0.116758 0.116758 Fe\n0.741281 0.741281 0.741281 O\n0.747029 0.747029 0.291004 O\n0.747029 0.291004 0.747029 O\n0.291004 0.747029 0.747029 O\n0.721034 0.250050 0.250050 O\n0.250050 0.721034 0.250050 O\n0.250050 0.250050 0.721034 O\n0.255200 0.255200 0.255200 O\n",
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{
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"structure_string": "Rb2 Nd2 Te8\n1.0\n6.967959 0.000000 0.000000\n0.000000 6.967959 0.000000\n0.000000 0.000000 9.328639\nRb Nd Te\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.500000 Nd\n0.356201 0.856201 0.295013 Te\n0.143799 0.356201 0.295013 Te\n0.856201 0.643799 0.295013 Te\n0.356201 0.143799 0.704987 Te\n0.643799 0.856201 0.704987 Te\n0.643799 0.143799 0.295013 Te\n0.856201 0.356201 0.704987 Te\n0.143799 0.643799 0.704987 Te\n",
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{
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"structure_string": "Na40 Al8 O32\n1.0\n5.964278 0.000000 0.000000\n0.000000 10.281522 0.000000\n0.000000 0.000000 18.046622\nNa Al O\n40 8 32\ndirect\n0.105790 0.326249 0.172898 Na\n0.605790 0.673751 0.327102 Na\n0.394210 0.826249 0.827102 Na\n0.894210 0.173751 0.672898 Na\n0.894210 0.673751 0.827102 Na\n0.394210 0.326249 0.672898 Na\n0.605790 0.173751 0.172898 Na\n0.105790 0.826249 0.327102 Na\n0.100343 0.579756 0.250917 Na\n0.600343 0.420244 0.249083 Na\n0.399657 0.079756 0.749083 Na\n0.899657 0.920244 0.750917 Na\n0.899657 0.420244 0.749083 Na\n0.399657 0.579756 0.750917 Na\n0.600343 0.920244 0.250917 Na\n0.100343 0.079756 0.249083 Na\n0.086526 0.162414 0.497660 Na\n0.586526 0.837586 0.002340 Na\n0.413474 0.662414 0.502340 Na\n0.913474 0.337586 0.997660 Na\n0.913474 0.837586 0.502340 Na\n0.413474 0.162414 0.997660 Na\n0.586526 0.337586 0.497660 Na\n0.086526 0.662414 0.002340 Na\n0.916634 0.302183 0.360665 Na\n0.411110 0.440611 0.064258 Na\n0.588890 0.059389 0.564258 Na\n0.088890 0.940611 0.935742 Na\n0.088890 0.440611 0.564258 Na\n0.588890 0.559389 0.935742 Na\n0.411110 0.940611 0.435742 Na\n0.911110 0.059389 0.064258 Na\n0.916634 0.802183 0.139335 Na\n0.416634 0.197817 0.360665 Na\n0.583366 0.302183 0.860665 Na\n0.083366 0.697817 0.639335 Na\n0.083366 0.197817 0.860665 Na\n0.583366 0.802183 0.639335 Na\n0.416634 0.697817 0.139335 Na\n0.911110 0.559389 0.435742 Na\n0.322616 0.460633 0.375984 Al\n0.822616 0.539367 0.124016 Al\n0.177384 0.960633 0.624016 Al\n0.677384 0.039367 0.875984 Al\n0.677384 0.539367 0.624016 Al\n0.177384 0.460633 0.875984 Al\n0.822616 0.039367 0.375984 Al\n0.322616 0.960633 0.124016 Al\n0.622058 0.454120 0.380091 O\n0.122058 0.545880 0.119909 O\n0.877942 0.954120 0.619909 O\n0.377942 0.045880 0.880091 O\n0.377942 0.545880 0.619909 O\n0.877942 0.454120 0.880091 O\n0.122058 0.045880 0.380091 O\n0.622058 0.954120 0.119909 O\n0.235159 0.378273 0.291738 O\n0.735159 0.621727 0.208262 O\n0.264841 0.878273 0.708262 O\n0.235615 0.129107 0.126196 O\n0.764841 0.621727 0.708262 O\n0.264841 0.378273 0.791738 O\n0.735159 0.121727 0.291738 O\n0.235159 0.878273 0.208262 O\n0.198081 0.373358 0.451410 O\n0.698081 0.626642 0.048590 O\n0.301919 0.873358 0.548590 O\n0.801919 0.126642 0.951410 O\n0.801919 0.626642 0.548590 O\n0.301919 0.373358 0.951410 O\n0.698081 0.126642 0.451410 O\n0.198081 0.873358 0.048590 O\n0.235615 0.629107 0.373804 O\n0.735615 0.370893 0.126196 O\n0.264385 0.129107 0.626196 O\n0.764385 0.870893 0.873804 O\n0.764385 0.370893 0.626196 O\n0.264385 0.629107 0.873804 O\n0.735615 0.870893 0.373804 O\n0.764841 0.121727 0.791738 O\n",
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{
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