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{
"id": "mp-1206045",
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{
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{
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"structure_string": "Sm1 Ga2\n1.0\n2.128641 -3.686915 0.000000\n2.128641 3.686915 0.000000\n0.000000 0.000000 4.232391\nSm Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n",
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},
{
"id": "mp-1246995",
"created_at": "2022-09-04T14:42:29.319347Z",
"structure_string": "Mg2 Zn10 N8\n1.0\n7.372238 0.000000 0.000000\n0.000000 6.652044 0.000000\n0.000000 0.000000 4.964773\nMg Zn N\n2 10 8\ndirect\n0.750000 0.250000 0.724574 Mg\n0.250000 0.750000 0.275426 Mg\n0.566847 0.499920 0.252020 Zn\n0.933153 0.499920 0.252020 Zn\n0.566847 0.000080 0.252020 Zn\n0.933153 0.000080 0.252020 Zn\n0.433153 0.500080 0.747980 Zn\n0.066847 0.500080 0.747980 Zn\n0.433153 0.999920 0.747980 Zn\n0.066847 0.999920 0.747980 Zn\n0.750000 0.750000 0.736505 Zn\n0.250000 0.250000 0.263495 Zn\n0.750000 0.001187 0.962300 N\n0.750000 0.498813 0.962300 N\n0.250000 0.998813 0.037700 N\n0.250000 0.501187 0.037700 N\n0.499290 0.750000 0.498614 N\n0.000710 0.750000 0.498614 N\n0.500710 0.250000 0.501386 N\n0.999290 0.250000 0.501386 N\n",
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{
"id": "mp-1196514",
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"structure_string": "K8 S24\n1.0\n12.114494 0.000000 0.000000\n0.000000 6.593357 0.000000\n0.000000 3.687157 11.842908\nK S\n8 24\ndirect\n0.638836 0.212421 0.977342 K\n0.861164 0.212421 0.477342 K\n0.361164 0.787579 0.022658 K\n0.138836 0.787579 0.522658 K\n0.610848 0.693216 0.589457 K\n0.889152 0.693216 0.089457 K\n0.389152 0.306784 0.410543 K\n0.110848 0.306784 0.910543 K\n0.371874 0.301809 0.999601 S\n0.128126 0.301809 0.499601 S\n0.628126 0.698191 0.000399 S\n0.871874 0.698191 0.500399 S\n0.417808 0.472513 0.838404 S\n0.082192 0.472513 0.338404 S\n0.582192 0.527487 0.161596 S\n0.917808 0.527487 0.661596 S\n0.329353 0.384051 0.719224 S\n0.170647 0.384051 0.219224 S\n0.670647 0.615949 0.280776 S\n0.829353 0.615949 0.780776 S\n0.385700 0.063533 0.728010 S\n0.114300 0.063533 0.228010 S\n0.614300 0.936467 0.271990 S\n0.885700 0.936467 0.771990 S\n0.553678 0.069870 0.724864 S\n0.946322 0.069870 0.224864 S\n0.446322 0.930130 0.275136 S\n0.053678 0.930130 0.775136 S\n0.610290 0.213597 0.564040 S\n0.889710 0.213597 0.064040 S\n0.389710 0.786403 0.435960 S\n0.110290 0.786403 0.935960 S\n",
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"elements": [
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],
"chemical_system": "K-S",
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"formula_full": "K8 S24",
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},
{
"id": "mp-1222365",
"created_at": "2022-09-04T14:41:28.444952Z",
"structure_string": "Lu2 Ga3 Cu1\n1.0\n2.166006 -3.751632 0.000000\n2.166006 3.751632 0.000000\n0.000000 0.000000 7.007449\nLu Ga Cu\n2 3 1\ndirect\n0.666667 0.333333 0.730333 Lu\n0.666667 0.333333 0.260900 Lu\n0.000000 0.000000 0.474862 Ga\n0.000000 0.000000 0.047429 Ga\n0.333333 0.666667 0.948347 Ga\n0.333333 0.666667 0.538129 Cu\n",
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],
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"density": 9.078676980948604,
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"volume": 113.88586590855786,
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"formula_full": "Lu2 Ga3 Cu1",
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},
{
"id": "mp-1187491",
"created_at": "2022-09-04T14:46:56.459190Z",
"structure_string": "Ti1 Zn2 Pd1\n1.0\n0.000000 3.093472 3.093472\n3.093472 0.000000 3.093472\n3.093472 3.093472 0.000000\nTi Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n0.500000 0.500000 0.500000 Pd\n",
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"density": 7.996231653122465,
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"volume": 59.20638759860379,
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"formula_full": "Ti1 Zn2 Pd1",
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{
"id": "mp-28230",
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"structure_string": "Tl4 Sb4 S8\n1.0\n6.320538 0.000000 0.000000\n-1.682020 6.386796 0.000000\n-1.476920 -2.840679 11.528884\nTl Sb S\n4 4 8\ndirect\n0.904366 0.725777 0.086445 Tl\n0.095634 0.274223 0.913555 Tl\n0.433800 0.700756 0.336231 Tl\n0.566200 0.299244 0.663769 Tl\n0.601528 0.205898 0.156115 Sb\n0.027473 0.206701 0.406272 Sb\n0.398472 0.794102 0.843885 Sb\n0.972527 0.793299 0.593728 Sb\n0.018941 0.183051 0.636461 S\n0.981059 0.816949 0.363539 S\n0.367818 0.791904 0.619693 S\n0.632182 0.208096 0.380307 S\n0.000845 0.787390 0.824924 S\n0.416721 0.818848 0.093089 S\n0.583279 0.181152 0.906911 S\n0.999155 0.212610 0.175076 S\n",
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{
"id": "mp-735135",
"created_at": "2022-09-04T14:46:36.268420Z",
"structure_string": "Ca8 Hg8 I32 O64\n1.0\n13.745579 0.000000 0.000000\n0.000000 13.745579 0.000000\n0.000000 0.000000 13.414581\nCa Hg I O\n8 8 32 64\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.500000 0.500000 0.750000 Ca\n0.500000 0.500000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.500000 0.250000 Ca\n0.000000 0.500000 0.750000 Ca\n0.500000 0.000000 0.250000 Ca\n0.330166 0.258192 0.000000 Hg\n0.741808 0.330166 0.500000 Hg\n0.830166 0.241808 0.000000 Hg\n0.758192 0.830166 0.500000 Hg\n0.669834 0.741808 0.000000 Hg\n0.258192 0.669834 0.500000 Hg\n0.169834 0.758192 0.000000 Hg\n0.241808 0.169834 0.500000 Hg\n0.106367 0.244831 0.194699 I\n0.755169 0.106367 0.694699 I\n0.606367 0.255169 0.194699 I\n0.744831 0.606367 0.694699 I\n0.106367 0.244831 0.805301 I\n0.755169 0.106367 0.305301 I\n0.606367 0.255169 0.805301 I\n0.744831 0.606367 0.305301 I\n0.893633 0.755169 0.805301 I\n0.244831 0.893633 0.305301 I\n0.393633 0.744831 0.805301 I\n0.255169 0.393633 0.305301 I\n0.893633 0.755169 0.194699 I\n0.244831 0.893633 0.694699 I\n0.393633 0.744831 0.194699 I\n0.255169 0.393633 0.694699 I\n0.365360 0.539374 0.000000 I\n0.460626 0.365360 0.500000 I\n0.865360 0.960626 0.000000 I\n0.039374 0.865360 0.500000 I\n0.634640 0.460626 0.000000 I\n0.539374 0.634640 0.500000 I\n0.134640 0.039374 0.000000 I\n0.960626 0.134640 0.500000 I\n0.566275 0.095457 0.000000 I\n0.904543 0.566275 0.500000 I\n0.066275 0.404543 0.000000 I\n0.595457 0.066275 0.500000 I\n0.433725 0.904543 0.000000 I\n0.095457 0.433725 0.500000 I\n0.933725 0.595457 0.000000 I\n0.404543 0.933725 0.500000 I\n0.618883 0.030036 0.111331 O\n0.969964 0.618883 0.611331 O\n0.118883 0.469964 0.111331 O\n0.530036 0.118883 0.611331 O\n0.618883 0.030036 0.888669 O\n0.969964 0.618883 0.388669 O\n0.118883 0.469964 0.888669 O\n0.530036 0.118883 0.388669 O\n0.381117 0.969964 0.888669 O\n0.030036 0.381117 0.388669 O\n0.881117 0.530036 0.888669 O\n0.469964 0.881117 0.388669 O\n0.381117 0.969964 0.111331 O\n0.030036 0.381117 0.611331 O\n0.881117 0.530036 0.111331 O\n0.469964 0.881117 0.611331 O\n0.159907 0.920410 0.795920 O\n0.079590 0.159907 0.295920 O\n0.659907 0.579590 0.795920 O\n0.420410 0.659907 0.295920 O\n0.159907 0.920410 0.204080 O\n0.079590 0.159907 0.704080 O\n0.659907 0.579590 0.204080 O\n0.420410 0.659907 0.704080 O\n0.840093 0.079590 0.204080 O\n0.920410 0.840093 0.704080 O\n0.340093 0.420410 0.204080 O\n0.579590 0.340093 0.704080 O\n0.840093 0.079590 0.795920 O\n0.920410 0.840093 0.295920 O\n0.340093 0.420410 0.795920 O\n0.579590 0.340093 0.295920 O\n0.993818 0.315798 0.816934 O\n0.684202 0.993818 0.316934 O\n0.493818 0.184202 0.816934 O\n0.815798 0.493818 0.316934 O\n0.993818 0.315798 0.183066 O\n0.684202 0.993818 0.683066 O\n0.493818 0.184202 0.183066 O\n0.815798 0.493818 0.683066 O\n0.006182 0.684202 0.183066 O\n0.315798 0.006182 0.683066 O\n0.506182 0.815798 0.183066 O\n0.184202 0.506182 0.683066 O\n0.006182 0.684202 0.816934 O\n0.315798 0.006182 0.316934 O\n0.506182 0.815798 0.816934 O\n0.184202 0.506182 0.316934 O\n0.589778 0.560074 0.606063 O\n0.439926 0.589778 0.106063 O\n0.089778 0.939926 0.606063 O\n0.060074 0.089778 0.106063 O\n0.589778 0.560074 0.393937 O\n0.439926 0.589778 0.893937 O\n0.089778 0.939926 0.393937 O\n0.060074 0.089778 0.893937 O\n0.410222 0.439926 0.393937 O\n0.560074 0.410222 0.893937 O\n0.910222 0.060074 0.393937 O\n0.939926 0.910222 0.893937 O\n0.410222 0.439926 0.606063 O\n0.560074 0.410222 0.106063 O\n0.910222 0.060074 0.606063 O\n0.939926 0.910222 0.106063 O\n",
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{
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{
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"structure_string": "Cu10 Hg2 Sb4 S13\n1.0\n-5.192408 5.192408 5.473474\n5.192408 -5.192408 5.473474\n5.192408 5.192408 -5.473474\nCu Hg Sb S\n10 2 4 13\ndirect\n0.236359 0.500000 0.736359 Cu\n0.500000 0.236359 0.736359 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.763641 0.263641 Cu\n0.763641 0.500000 0.263641 Cu\n0.750000 0.250000 0.500000 Cu\n0.225569 0.000000 0.225569 Cu\n0.000000 0.774431 0.774431 Cu\n0.774431 0.000000 0.774431 Cu\n0.000000 0.225569 0.225569 Cu\n0.763815 0.763815 0.000000 Hg\n0.236185 0.236185 0.000000 Hg\n0.015732 0.468594 0.000000 Sb\n0.468594 0.015732 0.000000 Sb\n0.984268 0.984268 0.452861 Sb\n0.531406 0.531406 0.547139 Sb\n0.000000 0.000000 0.000000 S\n0.746105 0.482425 0.000000 S\n0.245295 0.771552 0.254449 S\n0.990846 0.517104 0.745551 S\n0.482425 0.746105 0.000000 S\n0.517104 0.990846 0.745551 S\n0.771552 0.245295 0.254449 S\n0.253895 0.253895 0.736320 S\n0.754705 0.009154 0.526258 S\n0.009154 0.754705 0.526258 S\n0.517575 0.517575 0.263680 S\n0.482896 0.228448 0.473742 S\n0.228448 0.482896 0.473742 S\n",
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}