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{
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"results": [
{
"id": "mp-1305541",
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"structure_string": "Li6 Ti2 Ni6 O16\n1.0\n5.082577 -1.502305 2.474110\n0.044853 3.139016 -4.970112\n-3.217426 8.153214 4.851195\nLi Ti Ni O\n6 2 6 16\ndirect\n0.500056 0.250062 0.750043 Li\n0.499828 0.749819 0.249942 Li\n0.507381 0.001723 0.502737 Li\n0.492609 0.498289 0.997257 Li\n0.499964 0.250012 0.249887 Li\n0.499919 0.749935 0.750146 Li\n0.987043 0.983611 0.995586 Ti\n0.012903 0.516353 0.504413 Ti\n0.999863 0.749847 0.250005 Ni\n0.000182 0.250152 0.749998 Ni\n0.000138 0.750094 0.750080 Ni\n0.000619 0.002722 0.499616 Ni\n0.999510 0.497372 0.000346 Ni\n0.999954 0.249925 0.249964 Ni\n0.234831 0.858223 0.615030 O\n0.214615 0.346208 0.124483 O\n0.764986 0.642154 0.884871 O\n0.785549 0.153529 0.375627 O\n0.201553 0.086550 0.356976 O\n0.208418 0.578499 0.864147 O\n0.798162 0.413230 0.143098 O\n0.791945 0.921649 0.635707 O\n0.219866 0.128273 0.871524 O\n0.226828 0.634722 0.369242 O\n0.223592 0.370174 0.629886 O\n0.220423 0.867892 0.128912 O\n0.776633 0.130098 0.870042 O\n0.779345 0.631851 0.371144 O\n0.780351 0.371861 0.628537 O\n0.772937 0.865172 0.130754 O\n",
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},
{
"id": "mp-1041927",
"created_at": "2022-09-04T14:48:30.765107Z",
"structure_string": "Ca2 Co4 O8\n1.0\n-3.073271 3.113610 4.375052\n3.073271 -3.113610 4.375052\n3.073271 3.113610 -4.375052\nCa Co O\n2 4 8\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.135876 0.885876 0.250000 Co\n0.864124 0.114124 0.750000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.726278 0.210358 0.984080 O\n0.728049 0.239278 0.488771 O\n0.726278 0.742199 0.515920 O\n0.250507 0.239278 0.011229 O\n0.749493 0.760722 0.988771 O\n0.271951 0.760722 0.511229 O\n0.273722 0.257801 0.484080 O\n0.273722 0.789642 0.015920 O\n",
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"volume": 167.4589184156272,
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"formula_full": "Ca2 Co4 O8",
"formula_reduced": "Ca(CoO2)2",
"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:39:51.057000Z",
"spacegroup": 74
},
{
"id": "mp-561465",
"created_at": "2022-09-04T14:48:30.772970Z",
"structure_string": "Tl4 Sb4 O12\n1.0\n2.701521 -4.679171 0.000000\n2.701521 4.679171 0.000000\n0.000000 0.000000 16.243782\nTl Sb O\n4 4 12\ndirect\n0.666667 0.333333 0.945347 Tl\n0.666667 0.333333 0.554653 Tl\n0.333333 0.666667 0.445347 Tl\n0.333333 0.666667 0.054653 Tl\n0.333333 0.666667 0.250000 Sb\n0.000000 0.000000 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n0.000000 0.000000 0.750000 Sb\n0.336113 0.064148 0.822314 O\n0.935852 0.271965 0.822314 O\n0.935852 0.663887 0.677686 O\n0.663887 0.728035 0.177686 O\n0.064148 0.336113 0.177686 O\n0.064148 0.728035 0.322314 O\n0.336113 0.271965 0.677686 O\n0.728035 0.064148 0.677686 O\n0.728035 0.663887 0.822314 O\n0.271965 0.935852 0.177686 O\n0.271965 0.336113 0.322314 O\n0.663887 0.935852 0.322314 O\n",
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"formula_full": "Tl4 Sb4 O12",
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},
{
"id": "mp-1202621",
"created_at": "2022-09-04T14:48:30.780244Z",
"structure_string": "K12 B4 P12 H12 O48\n1.0\n3.795863 12.702424 0.000000\n-3.795863 12.702424 0.000000\n0.000000 6.959964 12.615178\nK B P H O\n12 4 12 12 48\ndirect\n0.725690 0.739089 0.588365 K\n0.260911 0.274310 0.911635 K\n0.274310 0.260911 0.411635 K\n0.739089 0.725690 0.088365 K\n0.998822 0.904526 0.155325 K\n0.095474 0.001178 0.344675 K\n0.001178 0.095474 0.844675 K\n0.904526 0.998822 0.655325 K\n0.790839 0.421202 0.038631 K\n0.578798 0.209161 0.461369 K\n0.209161 0.578798 0.961369 K\n0.421202 0.790839 0.538631 K\n0.100499 0.560317 0.660728 B\n0.439683 0.899501 0.839272 B\n0.899501 0.439683 0.339272 B\n0.560317 0.100499 0.160728 B\n0.734228 0.780635 0.311658 P\n0.219365 0.265772 0.188342 P\n0.265772 0.219365 0.688342 P\n0.780635 0.734228 0.811658 P\n0.025505 0.761069 0.458144 P\n0.238931 0.974495 0.041856 P\n0.974495 0.238931 0.541856 P\n0.761069 0.025505 0.958144 P\n0.675104 0.477021 0.304529 P\n0.522979 0.324896 0.195471 P\n0.324896 0.522979 0.695471 P\n0.477021 0.675104 0.804529 P\n0.528320 0.561588 0.965148 H\n0.438412 0.471680 0.534852 H\n0.471680 0.438412 0.034852 H\n0.561588 0.528320 0.465148 H\n0.908938 0.731261 0.366312 H\n0.268739 0.091062 0.133688 H\n0.091062 0.268739 0.633688 H\n0.731261 0.908938 0.866312 H\n0.269666 0.580627 0.334253 H\n0.419373 0.730334 0.165747 H\n0.730334 0.419373 0.665747 H\n0.580627 0.269666 0.834253 H\n0.610962 0.519256 0.897442 O\n0.480744 0.389038 0.602558 O\n0.389038 0.480744 0.102558 O\n0.519256 0.610962 0.397442 O\n0.919591 0.934799 0.991867 O\n0.065201 0.080409 0.508133 O\n0.080409 0.065201 0.008133 O\n0.934799 0.919591 0.491867 O\n0.922565 0.669162 0.327298 O\n0.330838 0.077435 0.172702 O\n0.077435 0.330838 0.672702 O\n0.669162 0.922565 0.827298 O\n0.887705 0.579504 0.900984 O\n0.420496 0.112295 0.599016 O\n0.112295 0.420496 0.099016 O\n0.579504 0.887705 0.400984 O\n0.187511 0.696490 0.360827 O\n0.303510 0.812489 0.139173 O\n0.812489 0.303510 0.639173 O\n0.696490 0.187511 0.860827 O\n0.718247 0.319309 0.337899 O\n0.680691 0.281753 0.162101 O\n0.281753 0.680691 0.662101 O\n0.319309 0.718247 0.837899 O\n0.900042 0.691335 0.697599 O\n0.308665 0.099958 0.802401 O\n0.099958 0.308665 0.302401 O\n0.691335 0.900042 0.197599 O\n0.780678 0.635293 0.294983 O\n0.364707 0.219322 0.205017 O\n0.219322 0.364707 0.705017 O\n0.635293 0.780678 0.794983 O\n0.137297 0.577314 0.544528 O\n0.422686 0.862703 0.955472 O\n0.862703 0.422686 0.455472 O\n0.577314 0.137297 0.044528 O\n0.857993 0.391608 0.301919 O\n0.608392 0.142007 0.198081 O\n0.142007 0.608392 0.698081 O\n0.391608 0.857993 0.801919 O\n0.609497 0.597900 0.701865 O\n0.402100 0.390503 0.798135 O\n0.390503 0.402100 0.298135 O\n0.597900 0.609497 0.201865 O\n0.810898 0.890379 0.926432 O\n0.109621 0.189102 0.573568 O\n0.189102 0.109621 0.073568 O\n0.890379 0.810898 0.426432 O\n",
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"density_atomic": 0.07233727741440706,
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"formula_full": "K12 B4 P12 H12 O48",
"formula_reduced": "K3BP3(HO4)3",
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"energy": -596.35158148,
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},
{
"id": "mp-756585",
"created_at": "2022-09-04T14:48:30.788029Z",
"structure_string": "Sr6 W4 O18\n1.0\n5.422220 -4.958831 0.000000\n5.422220 4.958831 0.000000\n0.887177 0.000000 7.294065\nSr W O\n6 4 18\ndirect\n0.923372 0.250000 0.576628 Sr\n0.423372 0.076628 0.750000 Sr\n0.750000 0.423372 0.076628 Sr\n0.250000 0.576628 0.923372 Sr\n0.576628 0.923372 0.250000 Sr\n0.076628 0.750000 0.423372 Sr\n0.856540 0.856540 0.856540 W\n0.356540 0.356540 0.356540 W\n0.143460 0.143460 0.143460 W\n0.643460 0.643460 0.643460 W\n0.919584 0.084159 0.257206 O\n0.742794 0.080416 0.915841 O\n0.901271 0.598729 0.750000 O\n0.580416 0.242794 0.415841 O\n0.250000 0.098729 0.401271 O\n0.401271 0.250000 0.098729 O\n0.584159 0.419584 0.757206 O\n0.757206 0.584159 0.419584 O\n0.915841 0.742794 0.080416 O\n0.084159 0.257206 0.919584 O\n0.242794 0.415841 0.580416 O\n0.750000 0.901271 0.598729 O\n0.415841 0.580416 0.242794 O\n0.598729 0.750000 0.901271 O\n0.419584 0.757206 0.584159 O\n0.098729 0.401271 0.250000 O\n0.257206 0.919584 0.084159 O\n0.080416 0.915841 0.742794 O\n",
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{
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"structure_string": "Mg8 Si6\n1.0\n7.327933 -0.016140 -3.339353\n3.331730 6.178422 0.951225\n-0.036431 0.021081 6.312610\nMg Si\n8 6\ndirect\n0.458832 0.382488 0.675848 Mg\n0.154044 0.154756 0.237519 Mg\n0.786305 0.582434 0.755597 Mg\n0.458061 0.907079 0.887018 Mg\n0.540993 0.190818 0.273945 Mg\n0.173647 0.682789 0.947714 Mg\n0.943612 0.602523 0.379927 Mg\n0.948669 0.152007 0.615653 Mg\n0.198366 0.805971 0.509728 Si\n0.738670 0.403536 0.108983 Si\n0.845203 0.020279 0.170841 Si\n0.193942 0.308763 0.856702 Si\n0.555067 0.589332 0.301110 Si\n0.754650 0.967076 0.779483 Si\n",
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{
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"structure_string": "Ti8 O12\n1.0\n2.583901 -4.475448 0.000000\n2.583901 4.475448 0.000000\n0.000000 0.000000 9.607603\nTi O\n8 12\ndirect\n0.333333 0.666667 0.976548 Ti\n0.333333 0.666667 0.250000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 0.523452 Ti\n0.666667 0.333333 0.750000 Ti\n0.666667 0.333333 0.023452 Ti\n0.666667 0.333333 0.476548 Ti\n0.025857 0.675555 0.116417 O\n0.974143 0.649699 0.616417 O\n0.025857 0.350301 0.383583 O\n0.974143 0.324445 0.883583 O\n0.324445 0.350301 0.116417 O\n0.350301 0.324445 0.616417 O\n0.324445 0.974143 0.383583 O\n0.350301 0.025857 0.883583 O\n0.649699 0.675555 0.383583 O\n0.675555 0.649699 0.883583 O\n0.649699 0.974143 0.116417 O\n0.675555 0.025857 0.616417 O\n",
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{
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}