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{
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{
"id": "mp-1079133",
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{
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"structure_string": "Li1 Al4 Tl4 O12\n1.0\n5.311157 -0.008637 -0.108127\n-0.008561 5.430498 -0.038431\n-0.159155 -0.054894 7.879503\nLi Al Tl O\n1 4 4 12\ndirect\n0.353988 0.395568 0.429362 Li\n0.020847 0.499623 0.003554 Al\n0.956436 0.499337 0.526764 Al\n0.509776 0.015369 0.994378 Al\n0.500038 0.974558 0.508009 Al\n0.010357 0.964260 0.761186 Tl\n0.487494 0.461510 0.762385 Tl\n0.549622 0.573897 0.207722 Tl\n0.990599 0.043348 0.265561 Tl\n0.110718 0.461397 0.244336 O\n0.177957 0.189478 0.550778 O\n0.229771 0.225089 0.943268 O\n0.303717 0.721529 0.954958 O\n0.282752 0.688478 0.555594 O\n0.410744 0.977987 0.255193 O\n0.590710 0.025030 0.748596 O\n0.727020 0.292486 0.038361 O\n0.685434 0.291498 0.461949 O\n0.812651 0.806909 0.047526 O\n0.783924 0.781962 0.455149 O\n0.905443 0.535687 0.760373 O\n",
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{
"id": "mp-1234770",
"created_at": "2022-09-04T14:45:33.685180Z",
"structure_string": "Ba10 Mg1 Mn6 O24 F2\n1.0\n0.000000 0.000000 -8.166605\n-5.385319 -9.318799 0.000000\n-5.116043 9.163617 0.000000\nBa Mg Mn O F\n10 1 6 24 2\ndirect\n0.545871 0.603253 0.291419 Ba\n0.005217 0.345463 0.658923 Ba\n0.494783 0.345463 0.658923 Ba\n0.954129 0.603253 0.291419 Ba\n0.750000 0.190951 0.972147 Ba\n0.750000 0.989571 0.234409 Ba\n0.750000 0.766673 0.773237 Ba\n0.250000 0.726381 0.995115 Ba\n0.250000 0.010094 0.771846 Ba\n0.250000 0.258319 0.237223 Ba\n0.250000 0.768308 0.384166 Mg\n0.750000 0.967804 0.593675 Mn\n0.750000 0.380953 0.369733 Mn\n0.750000 0.606574 0.007688 Mn\n0.250000 0.061872 0.401430 Mn\n0.250000 0.612444 0.628599 Mn\n0.250000 0.383586 0.993772 Mn\n0.750000 0.149405 0.653077 O\n0.750000 0.293609 0.465763 O\n0.750000 0.521917 0.818544 O\n0.250000 0.874747 0.290732 O\n0.250000 0.732827 0.539231 O\n0.250000 0.569060 0.200059 O\n0.750000 0.850837 0.401642 O\n0.750000 0.567646 0.475511 O\n0.750000 0.483884 0.069766 O\n0.250000 0.114513 0.585881 O\n0.250000 0.417956 0.523308 O\n0.250000 0.446837 0.868723 O\n0.584104 0.930799 0.670409 O\n0.582760 0.340239 0.255153 O\n0.581394 0.713637 0.085448 O\n0.079336 0.120663 0.355426 O\n0.077550 0.651718 0.744917 O\n0.085314 0.267828 0.970745 O\n0.420664 0.120663 0.355426 O\n0.422450 0.651718 0.744917 O\n0.414686 0.267828 0.970745 O\n0.915896 0.930799 0.670409 O\n0.917240 0.340239 0.255153 O\n0.918606 0.713637 0.085448 O\n0.572708 0.987392 0.008671 F\n0.927292 0.987392 0.008671 F\n",
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},
{
"id": "mp-1228237",
"created_at": "2022-09-04T14:45:33.687516Z",
"structure_string": "Ca2 Al4 Si8 O31\n1.0\n6.715131 7.483598 0.000000\n-6.715131 7.483598 0.000000\n0.000000 2.526201 7.141500\nCa Al Si O\n2 4 8 31\ndirect\n0.736845 0.738563 0.278300 Ca\n0.261437 0.263155 0.721700 Ca\n0.821145 0.435013 0.261479 Al\n0.432435 0.822320 0.263687 Al\n0.177680 0.567565 0.736313 Al\n0.564987 0.178855 0.738521 Al\n0.699571 0.464648 0.678095 Si\n0.464100 0.699498 0.678901 Si\n0.300502 0.535900 0.321099 Si\n0.535352 0.300429 0.321905 Si\n0.856392 0.625301 0.852083 Si\n0.623535 0.856826 0.854035 Si\n0.143174 0.376465 0.145965 Si\n0.374699 0.143608 0.147917 Si\n0.826349 0.592176 0.082909 O\n0.590169 0.827347 0.084556 O\n0.172653 0.409831 0.915444 O\n0.407824 0.173651 0.917091 O\n0.765654 0.767250 0.783190 O\n0.232750 0.234346 0.216810 O\n0.015849 0.648976 0.755088 O\n0.646488 0.016797 0.758421 O\n0.983203 0.353512 0.241579 O\n0.351024 0.984151 0.244912 O\n0.804672 0.495778 0.795469 O\n0.494947 0.805013 0.795922 O\n0.194987 0.505053 0.204078 O\n0.504222 0.195328 0.204531 O\n0.696350 0.325636 0.272169 O\n0.325207 0.697020 0.269737 O\n0.302980 0.674793 0.730263 O\n0.674364 0.303650 0.727831 O\n0.768561 0.521270 0.451731 O\n0.519883 0.768446 0.452585 O\n0.231554 0.480117 0.547415 O\n0.478730 0.231439 0.548269 O\n0.554908 0.555067 0.727634 O\n0.444933 0.445092 0.272366 O\n0.982811 0.110925 0.584565 O\n0.169861 0.017244 0.775024 O\n0.982756 0.830139 0.224976 O\n0.889075 0.017189 0.415435 O\n0.886702 0.113298 0.500000 O\n0.991677 0.870847 0.054043 O\n0.129153 0.008323 0.945957 O\n",
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"formula_full": "Ca2 Al4 Si8 O31",
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{
"id": "mp-1225883",
"created_at": "2022-09-04T14:45:33.743726Z",
"structure_string": "K12 P12 O40\n1.0\n18.684120 0.000000 0.000000\n0.000000 7.019960 0.000000\n0.000000 3.916688 10.353444\nK P O\n12 12 40\ndirect\n0.506532 0.141235 0.759734 K\n0.993468 0.141235 0.259734 K\n0.493468 0.858765 0.240266 K\n0.006532 0.858765 0.740266 K\n0.312256 0.593680 0.590339 K\n0.187744 0.593680 0.090339 K\n0.687744 0.406320 0.409661 K\n0.812256 0.406320 0.909661 K\n0.320357 0.157865 0.978348 K\n0.179643 0.157865 0.478348 K\n0.679643 0.842135 0.021652 K\n0.820357 0.842135 0.521652 K\n0.603237 0.336174 0.007043 P\n0.896763 0.336174 0.507043 P\n0.396763 0.663826 0.992957 P\n0.103237 0.663826 0.492957 P\n0.443667 0.618840 0.808012 P\n0.056333 0.618840 0.308012 P\n0.556333 0.381160 0.191988 P\n0.943667 0.381160 0.691988 P\n0.568733 0.605650 0.820011 P\n0.931267 0.605650 0.320011 P\n0.431267 0.394350 0.179989 P\n0.068733 0.394350 0.679989 P\n0.318318 0.616755 0.987586 O\n0.181682 0.616755 0.487586 O\n0.681682 0.383245 0.012414 O\n0.818318 0.383245 0.512414 O\n0.405881 0.201139 0.164915 O\n0.094119 0.201139 0.664915 O\n0.594119 0.798861 0.835085 O\n0.905881 0.798861 0.335085 O\n0.745296 0.129556 0.794166 O\n0.754704 0.129556 0.294166 O\n0.254704 0.870444 0.205834 O\n0.245296 0.870444 0.705834 O\n0.591203 0.530657 0.714759 O\n0.908797 0.530657 0.214759 O\n0.408797 0.469343 0.285241 O\n0.091203 0.469343 0.785241 O\n0.413494 0.421731 0.803684 O\n0.086506 0.421731 0.303684 O\n0.586506 0.578269 0.196316 O\n0.913494 0.578269 0.696316 O\n0.428682 0.820803 0.704111 O\n0.071318 0.820803 0.204111 O\n0.571318 0.179197 0.295889 O\n0.928682 0.179197 0.795889 O\n0.577376 0.134194 0.005141 O\n0.922624 0.134194 0.505141 O\n0.422624 0.865806 0.994859 O\n0.077376 0.865806 0.494859 O\n0.782822 0.984992 0.771791 O\n0.717178 0.984992 0.271791 O\n0.217178 0.015008 0.228209 O\n0.282822 0.015008 0.728209 O\n0.697136 0.829042 0.376940 O\n0.802864 0.829042 0.876940 O\n0.302864 0.170958 0.623060 O\n0.197136 0.170958 0.123060 O\n0.571082 0.233056 0.530407 O\n0.928918 0.233056 0.030407 O\n0.428918 0.766944 0.469593 O\n0.071082 0.766944 0.969593 O\n",
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{
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"structure_string": "Er4 As4 Pt4\n1.0\n2.133185 -3.694785 0.000000\n2.133185 3.694785 0.000000\n0.000000 0.000000 15.447379\nEr As Pt\n4 4 4\ndirect\n0.000000 0.000000 0.500000 Er\n0.000000 0.000000 0.000000 Er\n0.000000 0.000000 0.250000 Er\n0.000000 0.000000 0.750000 Er\n0.333333 0.666667 0.884096 As\n0.666667 0.333333 0.115904 As\n0.666667 0.333333 0.384096 As\n0.333333 0.666667 0.615904 As\n0.333333 0.666667 0.364503 Pt\n0.666667 0.333333 0.635497 Pt\n0.666667 0.333333 0.864503 Pt\n0.333333 0.666667 0.135497 Pt\n",
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{
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{
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{
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