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{
"id": "mp-557669",
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{
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"structure_string": "Ta12 Ge4\n1.0\n-5.203383 5.203383 2.598855\n5.203383 -5.203383 2.598855\n5.203383 5.203383 -2.598855\nTa Ge\n12 4\ndirect\n0.501589 0.160294 0.632333 Ta\n0.839706 0.472039 0.341295 Ta\n0.130743 0.498411 0.658705 Ta\n0.527961 0.869257 0.367667 Ta\n0.524915 0.548508 0.594959 Ta\n0.451492 0.046451 0.976407 Ta\n0.070044 0.475085 0.023593 Ta\n0.953549 0.929956 0.405041 Ta\n0.371219 0.355728 0.182424 Ta\n0.644272 0.826697 0.015491 Ta\n0.811206 0.628781 0.984509 Ta\n0.173303 0.188794 0.817576 Ta\n0.042528 0.307709 0.316502 Ge\n0.692291 0.008793 0.734819 Ge\n0.273974 0.957472 0.265181 Ge\n0.991207 0.726026 0.683498 Ge\n",
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{
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"structure_string": "Sr4 Cd4 P8 O28\n1.0\n8.672255 0.000000 0.000000\n0.000000 5.508386 0.000000\n0.000000 5.469194 13.156898\nSr Cd P O\n4 4 8 28\ndirect\n0.324161 0.512948 0.770148 Sr\n0.824161 0.487052 0.729852 Sr\n0.675839 0.487052 0.229852 Sr\n0.175839 0.512948 0.270148 Sr\n0.355364 0.219645 0.093630 Cd\n0.855364 0.780355 0.406370 Cd\n0.644636 0.780355 0.906370 Cd\n0.144636 0.219645 0.593630 Cd\n0.216376 0.823913 0.473263 P\n0.716376 0.176087 0.026737 P\n0.783624 0.176087 0.526737 P\n0.283624 0.823913 0.973263 P\n0.468836 0.933095 0.324893 P\n0.968836 0.066905 0.175107 P\n0.531164 0.066905 0.675107 P\n0.031164 0.933095 0.824893 P\n0.116420 0.719728 0.406576 O\n0.616420 0.280272 0.093424 O\n0.883580 0.280272 0.593424 O\n0.383580 0.719728 0.906576 O\n0.174467 0.109219 0.456468 O\n0.674467 0.890781 0.043532 O\n0.825533 0.890781 0.543532 O\n0.325533 0.109219 0.956468 O\n0.213339 0.631760 0.584540 O\n0.713339 0.368240 0.915460 O\n0.786661 0.368240 0.415460 O\n0.286661 0.631760 0.084540 O\n0.446564 0.726864 0.278514 O\n0.946564 0.273136 0.221486 O\n0.553436 0.273136 0.721486 O\n0.053436 0.726864 0.778514 O\n0.106666 0.817942 0.938100 O\n0.606666 0.182058 0.561900 O\n0.893334 0.182058 0.061900 O\n0.393334 0.817942 0.438100 O\n0.863021 0.989965 0.840958 O\n0.363021 0.010035 0.659042 O\n0.136979 0.010035 0.159042 O\n0.636979 0.989965 0.340958 O\n0.111727 0.195972 0.763087 O\n0.611727 0.804028 0.736913 O\n0.888273 0.804028 0.236913 O\n0.388273 0.195972 0.263087 O\n",
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"formula_full": "Sr4 Cd4 P8 O28",
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},
{
"id": "mp-1104671",
"created_at": "2022-09-04T14:46:42.512037Z",
"structure_string": "Ni2 S2 O10\n1.0\n-3.420758 -3.923563 0.000000\n-3.420758 3.923563 0.000000\n3.353862 0.000000 -6.493075\nNi S O\n2 2 10\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.659224 0.340776 0.750000 S\n0.340776 0.659224 0.250000 S\n0.079339 0.920661 0.750000 O\n0.920661 0.079339 0.250000 O\n0.667249 0.133847 0.854253 O\n0.866153 0.332751 0.645747 O\n0.332751 0.866153 0.145747 O\n0.133847 0.667249 0.354253 O\n0.374940 0.277226 0.598226 O\n0.722774 0.625060 0.901774 O\n0.625060 0.722774 0.401774 O\n0.277226 0.374940 0.098226 O\n",
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"density": 3.2536448291852276,
"density_atomic": 0.08032387266124283,
"volume": 174.2943851704396,
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"formula_full": "Ni2 S2 O10",
"formula_reduced": "NiSO5",
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{
"id": "mp-1200353",
"created_at": "2022-09-04T14:46:37.492746Z",
"structure_string": "Cs8 K6 U6 Si8 O40 F2\n1.0\n3.945877 -11.237427 0.000000\n3.945877 11.237427 0.000000\n0.000000 0.000000 14.487759\nCs K U Si O F\n8 6 6 8 40 2\ndirect\n0.709190 0.785293 0.668910 Cs\n0.214707 0.290810 0.668910 Cs\n0.290810 0.214707 0.168910 Cs\n0.785293 0.709190 0.168910 Cs\n0.532087 0.958525 0.783158 Cs\n0.041475 0.467913 0.783158 Cs\n0.467913 0.041475 0.283158 Cs\n0.958525 0.532087 0.283158 Cs\n0.380501 0.619499 0.231495 K\n0.619499 0.380501 0.731495 K\n0.832465 0.167535 0.520354 K\n0.167535 0.832465 0.020354 K\n0.086259 0.913740 0.437918 K\n0.913741 0.086259 0.937918 K\n0.125990 0.874010 0.719591 U\n0.874010 0.125990 0.219591 U\n0.325649 0.674351 0.495199 U\n0.674351 0.325649 0.995199 U\n0.426172 0.573828 0.947290 U\n0.573828 0.426172 0.447290 U\n0.501612 0.898387 0.054143 Si\n0.101613 0.498388 0.054143 Si\n0.498388 0.101613 0.554143 Si\n0.898387 0.501612 0.554143 Si\n0.744572 0.854099 0.407551 Si\n0.145901 0.255428 0.407551 Si\n0.255428 0.145901 0.907551 Si\n0.854099 0.744572 0.907551 Si\n0.469305 0.950525 0.516956 O\n0.049475 0.530695 0.516956 O\n0.530695 0.049475 0.016956 O\n0.950525 0.469305 0.016956 O\n0.383705 0.033475 0.648914 O\n0.966525 0.616295 0.648914 O\n0.616295 0.966525 0.148914 O\n0.033475 0.383705 0.148914 O\n0.546201 0.840461 0.973439 O\n0.159539 0.453799 0.973439 O\n0.453799 0.159539 0.473439 O\n0.840461 0.546201 0.473439 O\n0.716274 0.283726 0.584483 O\n0.283726 0.716274 0.084483 O\n0.703033 0.725622 0.919691 O\n0.274378 0.296967 0.919691 O\n0.296967 0.274378 0.419691 O\n0.725622 0.703033 0.419691 O\n0.950068 0.049932 0.447151 O\n0.049932 0.950068 0.947151 O\n0.267502 0.122858 0.797693 O\n0.877142 0.732498 0.797693 O\n0.732498 0.877142 0.297693 O\n0.122858 0.267502 0.297693 O\n0.598007 0.807094 0.471162 O\n0.192906 0.401993 0.471162 O\n0.401993 0.192906 0.971162 O\n0.807094 0.598007 0.971162 O\n0.182474 0.817526 0.814750 O\n0.817526 0.182474 0.314750 O\n0.068182 0.931818 0.626327 O\n0.931818 0.068182 0.126327 O\n0.305148 0.694852 0.370057 O\n0.694852 0.305148 0.870057 O\n0.344722 0.655278 0.620689 O\n0.655278 0.344722 0.120689 O\n0.405590 0.594410 0.822374 O\n0.594410 0.405590 0.322374 O\n0.446238 0.553762 0.073049 O\n0.553762 0.446238 0.573049 O\n0.875294 0.124706 0.728857 F\n0.124706 0.875294 0.228857 F\n",
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{
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"structure_string": "Mg3 Ga3 Au3\n1.0\n3.750049 -6.495275 0.000000\n3.750049 6.495275 0.000000\n0.000000 0.000000 3.410236\nMg Ga Au\n3 3 3\ndirect\n0.383540 0.383540 0.000000 Mg\n0.616460 0.000000 0.000000 Mg\n0.000000 0.616460 0.000000 Mg\n0.718168 0.718168 0.500000 Ga\n0.281832 0.000000 0.500000 Ga\n0.000000 0.281832 0.500000 Ga\n0.000000 0.000000 0.000000 Au\n0.666667 0.333333 0.500000 Au\n0.333333 0.666667 0.500000 Au\n",
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{
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{
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