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{
"id": "mp-756098",
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"structure_string": "Ba2 Sr2 I8\n1.0\n3.180266 -11.788417 0.000000\n3.180266 11.788417 0.000000\n0.000000 0.000000 8.300696\nBa Sr I\n2 2 8\ndirect\n0.812230 0.187770 0.103352 Ba\n0.187770 0.812230 0.603352 Ba\n0.584537 0.415463 0.005350 Sr\n0.415463 0.584537 0.505350 Sr\n0.901029 0.098971 0.449991 I\n0.544997 0.455003 0.624517 I\n0.677978 0.322022 0.310843 I\n0.709610 0.290390 0.796239 I\n0.098971 0.901029 0.949991 I\n0.290390 0.709610 0.296239 I\n0.455003 0.544997 0.124517 I\n0.322022 0.677978 0.810843 I\n",
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{
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"structure_string": "Li5 Fe6 P5 O24\n1.0\n6.503593 0.000000 0.000000\n-0.021543 6.858221 0.000000\n-3.176821 -3.069489 9.544738\nLi Fe P O\n5 6 5 24\ndirect\n0.754043 0.765116 0.515994 Li\n0.531492 0.520226 0.020081 Li\n0.759244 0.225024 0.475199 Li\n0.015358 0.503536 0.034901 Li\n0.484128 0.987625 0.981611 Li\n0.888887 0.379444 0.243119 Fe\n0.813229 0.873536 0.243687 Fe\n0.629887 0.649626 0.753919 Fe\n0.384558 0.853387 0.243926 Fe\n0.232342 0.244926 0.457289 Fe\n0.124430 0.109297 0.756375 Fe\n0.996314 0.994373 0.001101 P\n0.479108 0.379161 0.255561 P\n0.619834 0.237324 0.747126 P\n0.250782 0.762734 0.508842 P\n0.126063 0.509820 0.749794 P\n0.973517 0.218851 0.075321 O\n0.951524 0.156643 0.328334 O\n0.867356 0.601028 0.176338 O\n0.914658 0.612754 0.715428 O\n0.691787 0.474854 0.378916 O\n0.557596 0.268524 0.128744 O\n0.528839 0.825347 0.106466 O\n0.667933 0.920856 0.384269 O\n0.802444 0.106725 0.720172 O\n0.760805 0.891802 0.911309 O\n0.703799 0.446208 0.866545 O\n0.370929 0.218302 0.302588 O\n0.332939 0.542176 0.213972 O\n0.522704 0.310371 0.611365 O\n0.491396 0.751241 0.590607 O\n0.246228 0.898602 0.410544 O\n0.088676 0.866499 0.101618 O\n0.446638 0.128553 0.781753 O\n0.330665 0.646377 0.775176 O\n0.155300 0.533756 0.429554 O\n0.098916 0.860946 0.593591 O\n0.094300 0.305237 0.620986 O\n0.161352 0.420713 0.875301 O\n0.150004 0.998482 0.912579 O\n",
"nsites": 40,
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},
{
"id": "mp-1097194",
"created_at": "2022-09-04T14:40:41.721426Z",
"structure_string": "Na1 Sr2 Cd1\n1.0\n-6.965216 7.092508 10.037121\n6.965216 -7.092508 10.037121\n6.965216 7.092508 -10.037121\nNa Sr Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.265388 0.265388 Sr\n0.000000 0.734612 0.734612 Sr\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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{
"id": "mp-1217853",
"created_at": "2022-09-04T14:40:41.665327Z",
"structure_string": "Sr1 Zr1 Cd1 H8 C8 O22\n1.0\n8.038961 4.390708 0.000000\n-8.038961 4.390708 0.000000\n0.000000 4.367226 8.074617\nSr Zr Cd H C O\n1 1 1 8 8 22\ndirect\n0.498783 0.501217 0.000000 Sr\n0.250281 0.749719 0.500000 Zr\n0.999827 0.000173 0.000000 Cd\n0.485992 0.268422 0.780502 H\n0.051668 0.269534 0.217881 H\n0.730466 0.948332 0.782119 H\n0.731578 0.514008 0.219498 H\n0.712252 0.425471 0.713254 H\n0.140666 0.427325 0.286050 H\n0.572675 0.859334 0.713950 H\n0.574529 0.287748 0.286746 H\n0.214078 0.444673 0.770125 C\n0.215277 0.984136 0.230236 C\n0.555327 0.785922 0.229875 C\n0.015864 0.784723 0.769764 C\n0.049705 0.324740 0.723426 C\n0.049589 0.773462 0.275215 C\n0.675260 0.950295 0.276574 C\n0.226538 0.950411 0.724785 C\n0.237556 0.362663 0.879993 O\n0.241128 0.117497 0.122329 O\n0.637337 0.762444 0.120007 O\n0.882503 0.758872 0.877671 O\n0.749021 0.250979 0.500000 O\n0.940304 0.144338 0.795753 O\n0.942872 0.736542 0.201460 O\n0.855662 0.059696 0.204247 O\n0.263458 0.057128 0.798540 O\n0.588170 0.384425 0.785522 O\n0.172580 0.381273 0.208201 O\n0.618727 0.827420 0.791799 O\n0.615575 0.411830 0.214478 O\n0.314880 0.627482 0.688405 O\n0.316652 0.002950 0.311777 O\n0.372518 0.685120 0.311595 O\n0.997050 0.683348 0.688223 O\n0.039686 0.425745 0.611648 O\n0.038334 0.651910 0.387838 O\n0.574255 0.960314 0.388352 O\n0.348090 0.961666 0.612162 O\n0.500287 0.499713 0.500000 O\n",
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"density": 2.177261082828681,
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"volume": 570.0151582508995,
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"formula_full": "Sr1 Zr1 Cd1 H8 C8 O22",
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{
"id": "mp-776150",
"created_at": "2022-09-04T14:40:41.667118Z",
"structure_string": "Sc2 Ag2 O6\n1.0\n4.029894 -5.085929 0.000000\n4.029894 5.085929 0.000000\n0.000000 0.000000 3.220464\nSc Ag O\n2 2 6\ndirect\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.035741 0.312862 0.000000 O\n0.312862 0.035741 0.000000 O\n0.363754 0.636246 0.500000 O\n0.636246 0.363754 0.500000 O\n0.964259 0.687138 0.000000 O\n0.687138 0.964259 0.000000 O\n",
"nsites": 10,
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],
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"density_atomic": 0.07575087253724384,
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"formula_full": "Sc2 Ag2 O6",
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"energy": -69.14838808,
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{
"id": "mp-1200911",
"created_at": "2022-09-04T14:40:41.669862Z",
"structure_string": "Mn2 P2 H30 C6 N2 Cl6 O6\n1.0\n-6.452063 0.000000 1.087508\n0.014649 0.000000 -8.745529\n0.000000 -11.090606 0.000000\nMn P H C N Cl O\n2 2 30 6 2 6 6\ndirect\n0.006832 0.866439 0.998582 Mn\n0.993168 0.133561 0.498582 Mn\n0.269614 0.246482 0.000728 P\n0.730386 0.753518 0.500728 P\n0.023103 0.471254 0.124322 H\n0.976897 0.528746 0.624322 H\n0.120503 0.457636 0.265285 H\n0.879497 0.542364 0.765285 H\n0.998199 0.299147 0.199972 H\n0.001801 0.700853 0.699972 H\n0.635911 0.880499 0.861741 H\n0.364089 0.119501 0.361741 H\n0.803551 0.001888 0.798569 H\n0.196449 0.998112 0.298569 H\n0.609423 0.855678 0.125419 H\n0.390577 0.144322 0.625419 H\n0.770328 0.987223 0.185014 H\n0.229673 0.012777 0.685014 H\n0.218959 0.298008 0.791745 H\n0.781041 0.701992 0.291745 H\n0.376278 0.458451 0.868585 H\n0.623722 0.541549 0.368585 H\n0.101139 0.422964 0.888658 H\n0.898861 0.577036 0.388658 H\n0.545735 0.117226 0.063739 H\n0.454265 0.882774 0.563739 H\n0.636151 0.296759 0.985198 H\n0.363849 0.703241 0.485198 H\n0.524594 0.126114 0.903581 H\n0.475406 0.873886 0.403581 H\n0.381868 0.323507 0.202700 H\n0.618132 0.676493 0.702700 H\n0.392596 0.489142 0.106346 H\n0.607404 0.510858 0.606346 H\n0.300212 0.377160 0.132057 C\n0.699788 0.622840 0.632057 C\n0.238190 0.368002 0.874337 C\n0.761810 0.631998 0.374337 C\n0.518841 0.190922 0.987609 C\n0.481159 0.809078 0.487609 C\n0.097782 0.403260 0.182217 N\n0.902218 0.596740 0.682217 N\n0.252009 0.811843 0.165457 Cl\n0.747991 0.188157 0.665457 Cl\n0.834467 0.577277 0.982706 Cl\n0.165533 0.422723 0.482706 Cl\n0.258823 0.838976 0.819650 Cl\n0.741177 0.161024 0.319650 Cl\n0.089529 0.116007 0.020718 O\n0.910471 0.883993 0.520718 O\n0.785714 0.905667 0.847170 O\n0.214286 0.094333 0.347170 O\n0.758750 0.896523 0.130407 O\n0.241250 0.103477 0.630407 O\n",
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{
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"structure_string": "Bi1 Sb3 Te6\n1.0\n20.616245 -2.182162 0.000000\n20.616245 2.182162 0.000000\n20.385270 0.000000 3.772551\nBi Sb Te\n1 3 6\ndirect\n0.199196 0.199196 0.199196 Bi\n0.698984 0.698984 0.698984 Sb\n0.301073 0.301073 0.301073 Sb\n0.800560 0.800560 0.800560 Sb\n0.606787 0.606787 0.606787 Te\n0.106490 0.106490 0.106490 Te\n0.894538 0.894538 0.894538 Te\n0.393312 0.393312 0.393312 Te\n0.000061 0.000061 0.000061 Te\n0.499000 0.499000 0.499000 Te\n",
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{
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