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{
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"formula_full": "K8 Zr8 H16 O8 F40",
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{
"id": "mp-1223885",
"created_at": "2022-09-04T14:45:09.399113Z",
"structure_string": "K1 Th2 Te6\n1.0\n2.223283 -12.014341 0.000000\n2.223283 12.014341 0.000000\n0.000000 0.000000 6.170214\nK Th Te\n1 2 6\ndirect\n0.503731 0.496269 0.500000 K\n0.321394 0.678606 0.500000 Th\n0.678783 0.321217 0.000000 Th\n0.725236 0.274764 0.500000 Te\n0.274638 0.725362 0.000000 Te\n0.896465 0.103535 0.250784 Te\n0.103794 0.896206 0.246571 Te\n0.896465 0.103535 0.749216 Te\n0.103794 0.896206 0.753429 Te\n",
"nsites": 9,
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"density": 6.391585276644752,
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"formula_full": "K1 Th2 Te6",
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{
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"structure_string": "Mg3 C1\n1.0\n3.895058 0.000000 0.000000\n0.000000 3.895058 0.000000\n0.000000 0.000000 4.969680\nMg C\n3 1\ndirect\n0.500000 0.000000 0.827897 Mg\n0.500000 0.500000 0.301464 Mg\n0.000000 0.500000 0.827897 Mg\n0.000000 0.000000 0.038341 C\n",
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{
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"structure_string": "Ti13 Sb3\n1.0\n4.748349 0.000000 0.000000\n0.000000 5.828883 0.000000\n0.000000 0.000000 10.164794\nTi Sb\n13 3\ndirect\n0.500000 0.000000 0.165231 Ti\n0.500000 0.500000 0.664773 Ti\n0.500000 0.740492 0.411668 Ti\n0.500000 0.249926 0.927146 Ti\n0.500000 0.259508 0.411668 Ti\n0.500000 0.750074 0.927146 Ti\n0.000000 0.500000 0.332325 Ti\n0.000000 0.000000 0.834144 Ti\n0.000000 0.749704 0.081532 Ti\n0.000000 0.256181 0.581126 Ti\n0.000000 0.250296 0.081532 Ti\n0.000000 0.743819 0.581126 Ti\n0.500000 0.500000 0.167766 Ti\n0.500000 0.000000 0.666468 Sb\n0.000000 0.000000 0.334530 Sb\n0.000000 0.500000 0.831773 Sb\n",
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"elements": [
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"volume": 281.33680523818015,
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"formula_full": "Ti13 Sb3",
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{
"id": "mp-768855",
"created_at": "2022-09-04T14:45:09.418611Z",
"structure_string": "Li10 Mn4 P4 C4 O28\n1.0\n6.501456 0.000000 0.000000\n0.000000 5.093169 0.000000\n0.000000 1.334567 16.890097\nLi Mn P C O\n10 4 4 4 28\ndirect\n0.028297 0.252207 0.881932 Li\n0.471703 0.252207 0.881932 Li\n0.528297 0.747793 0.118068 Li\n0.971703 0.747793 0.118068 Li\n0.250000 0.759909 0.299054 Li\n0.001432 0.249680 0.374755 Li\n0.498568 0.249680 0.374755 Li\n0.998568 0.750320 0.625245 Li\n0.501432 0.750320 0.625245 Li\n0.750000 0.240091 0.700946 Li\n0.750000 0.794038 0.921685 Mn\n0.250000 0.205962 0.078315 Mn\n0.750000 0.775561 0.420192 Mn\n0.250000 0.224439 0.579808 Mn\n0.250000 0.726995 0.958172 P\n0.750000 0.273005 0.041828 P\n0.250000 0.721429 0.458980 P\n0.750000 0.278571 0.541020 P\n0.750000 0.711696 0.768194 C\n0.250000 0.288304 0.231806 C\n0.750000 0.698923 0.273244 C\n0.250000 0.301077 0.726756 C\n0.750000 0.955842 0.782200 O\n0.250000 0.321868 0.800409 O\n0.750000 0.531960 0.827758 O\n0.059972 0.840822 0.912510 O\n0.440028 0.840822 0.912510 O\n0.750000 0.190271 0.954947 O\n0.250000 0.418744 0.962501 O\n0.750000 0.581256 0.037499 O\n0.250000 0.809729 0.045053 O\n0.940028 0.159178 0.087490 O\n0.559972 0.159178 0.087490 O\n0.250000 0.468040 0.172242 O\n0.750000 0.678132 0.199591 O\n0.250000 0.044158 0.217800 O\n0.750000 0.929317 0.303078 O\n0.250000 0.363372 0.303977 O\n0.750000 0.495937 0.326335 O\n0.064785 0.820542 0.406990 O\n0.435215 0.820542 0.406990 O\n0.750000 0.175007 0.458097 O\n0.250000 0.413307 0.468793 O\n0.750000 0.586693 0.531207 O\n0.250000 0.824993 0.541903 O\n0.935215 0.179458 0.593010 O\n0.564785 0.179458 0.593010 O\n0.250000 0.504063 0.673665 O\n0.750000 0.636628 0.696023 O\n0.250000 0.070683 0.696922 O\n",
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"formula_full": "Li10 Mn4 P4 C4 O28",
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{
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"structure_string": "Ba12 Si4 S20\n1.0\n8.693005 0.000000 0.000000\n0.000000 9.551832 0.000000\n0.000000 0.000000 12.134164\nBa Si S\n12 4 20\ndirect\n0.886047 0.750000 0.480278 Ba\n0.386047 0.250000 0.019722 Ba\n0.113953 0.250000 0.519722 Ba\n0.613953 0.750000 0.980278 Ba\n0.077771 0.980266 0.817406 Ba\n0.577771 0.019734 0.682594 Ba\n0.922229 0.480266 0.182594 Ba\n0.422229 0.519734 0.317406 Ba\n0.922229 0.019734 0.182594 Ba\n0.422229 0.980266 0.317406 Ba\n0.077771 0.519734 0.817406 Ba\n0.577771 0.480266 0.682594 Ba\n0.305889 0.750000 0.596946 Si\n0.194111 0.750000 0.096946 Si\n0.694111 0.250000 0.403054 Si\n0.805889 0.250000 0.903054 Si\n0.682120 0.750000 0.234413 S\n0.182120 0.250000 0.265587 S\n0.317880 0.250000 0.765587 S\n0.817880 0.750000 0.734413 S\n0.986526 0.750000 0.005233 S\n0.486526 0.250000 0.494767 S\n0.013474 0.250000 0.994767 S\n0.513474 0.750000 0.505233 S\n0.149634 0.750000 0.270733 S\n0.350366 0.750000 0.770733 S\n0.850366 0.250000 0.729267 S\n0.649634 0.250000 0.229267 S\n0.683398 0.065895 0.944670 S\n0.183398 0.934105 0.555330 S\n0.316602 0.565895 0.055330 S\n0.816602 0.434105 0.444670 S\n0.316602 0.934105 0.055330 S\n0.816602 0.065895 0.444670 S\n0.683398 0.434105 0.944670 S\n0.183398 0.565895 0.555330 S\n",
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{
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"structure_string": "Zr6 N4\n1.0\n5.512042 -2.840057 0.000000\n5.512042 2.840057 0.000000\n4.048715 0.000000 4.696429\nZr N\n6 4\ndirect\n0.075366 0.424634 0.750000 Zr\n0.750000 0.075366 0.424634 Zr\n0.424634 0.750000 0.075366 Zr\n0.575366 0.250000 0.924634 Zr\n0.250000 0.924634 0.575366 Zr\n0.924634 0.575366 0.250000 Zr\n0.338791 0.338791 0.338791 N\n0.161209 0.161209 0.161209 N\n0.838791 0.838791 0.838791 N\n0.661209 0.661209 0.661209 N\n",
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{
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"structure_string": "Nd2 S6\n1.0\n2.876675 -4.982548 0.000000\n2.876675 4.982548 0.000000\n0.000000 0.000000 5.663660\nNd S\n2 6\ndirect\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.823743 0.176257 0.750000 S\n0.352514 0.176257 0.750000 S\n0.823743 0.647486 0.750000 S\n0.176257 0.823743 0.250000 S\n0.647486 0.823743 0.250000 S\n0.176257 0.352514 0.250000 S\n",
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{
"id": "mp-774877",
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"structure_string": "Li4 Ti2 Fe3 Sn3 O16\n1.0\n6.145608 0.015460 0.027864\n-3.059303 5.300263 0.000633\n0.044863 0.026992 9.715381\nLi Ti Fe Sn O\n4 2 3 3 16\ndirect\n0.342214 0.671071 0.891570 Li\n0.980902 0.990765 0.988352 Li\n0.985138 0.992367 0.499715 Li\n0.665117 0.332930 0.398704 Li\n0.351359 0.674971 0.501031 Ti\n0.699112 0.349615 0.982845 Ti\n0.655889 0.829383 0.218148 Fe\n0.831317 0.654154 0.715428 Fe\n0.831419 0.177190 0.715525 Fe\n0.169580 0.830309 0.213502 Sn\n0.170238 0.339664 0.213864 Sn\n0.342567 0.171005 0.713199 Sn\n0.171377 0.830927 0.593239 O\n0.029299 0.515407 0.341480 O\n0.340848 0.669992 0.097697 O\n0.989537 0.994859 0.312537 O\n0.994891 0.997219 0.801956 O\n0.171074 0.340248 0.593376 O\n0.476873 0.955529 0.346151 O\n0.475698 0.520065 0.346943 O\n0.324078 0.161554 0.094670 O\n0.650301 0.824961 0.592487 O\n0.525827 0.480510 0.847323 O\n0.526204 0.045338 0.847492 O\n0.672637 0.336328 0.601975 O\n0.832133 0.661535 0.092836 O\n0.961850 0.480839 0.852890 O\n0.832521 0.171563 0.092903 O\n",
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