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{
"id": "mp-1103826",
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"structure_string": "Ta7 Fe6\n1.0\n-2.469330 -4.277004 0.000000\n-4.938659 0.000000 0.000000\n-2.469330 -1.425668 -9.017843\nTa Fe\n7 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.833126 0.833126 0.500621 Ta\n0.166874 0.166874 0.499379 Ta\n0.652414 0.652414 0.042759 Ta\n0.347586 0.347586 0.957241 Ta\n0.549093 0.549093 0.352721 Ta\n0.450907 0.450907 0.647279 Ta\n0.908128 0.908128 0.765777 Fe\n0.417966 0.908128 0.765777 Fe\n0.908128 0.417966 0.765777 Fe\n0.091872 0.091872 0.234223 Fe\n0.582034 0.091872 0.234223 Fe\n0.091872 0.582034 0.234223 Fe\n",
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{
"id": "mp-569806",
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"structure_string": "K10 Na2 Ti12 Se54\n1.0\n6.812453 -11.799514 0.000000\n6.812453 11.799514 0.000000\n0.000000 0.000000 14.060204\nK Na Ti Se\n10 2 12 54\ndirect\n0.627567 0.957636 0.529806 K\n0.957636 0.627567 0.029806 K\n0.666667 0.333333 0.203836 K\n0.333333 0.666667 0.345963 K\n0.042364 0.669931 0.529806 K\n0.372433 0.330069 0.029806 K\n0.330069 0.372433 0.529806 K\n0.333333 0.666667 0.703836 K\n0.666667 0.333333 0.845963 K\n0.669931 0.042364 0.029806 K\n0.000000 0.000000 0.276416 Na\n0.000000 0.000000 0.776416 Na\n0.985068 0.339345 0.156254 Ti\n0.014033 0.344879 0.398420 Ti\n0.344879 0.014033 0.898420 Ti\n0.354277 0.014932 0.156254 Ti\n0.330847 0.985967 0.398420 Ti\n0.645723 0.660655 0.656254 Ti\n0.669153 0.655121 0.898420 Ti\n0.655121 0.669153 0.398420 Ti\n0.660655 0.645723 0.156254 Ti\n0.339345 0.985068 0.656254 Ti\n0.014932 0.354277 0.656254 Ti\n0.985967 0.330847 0.898420 Ti\n0.496498 0.681730 0.938497 Se\n0.551098 0.130474 0.663421 Se\n0.497405 0.014787 0.282581 Se\n0.185232 0.503502 0.938497 Se\n0.076534 0.204663 0.649552 Se\n0.503502 0.185232 0.438497 Se\n0.795337 0.871871 0.649552 Se\n0.839093 0.210705 0.774150 Se\n0.371612 0.160907 0.774150 Se\n0.896118 0.118109 0.887450 Se\n0.579377 0.448902 0.663421 Se\n0.482618 0.985213 0.782581 Se\n0.814768 0.318270 0.438497 Se\n0.669975 0.788534 0.027223 Se\n0.210705 0.839093 0.274150 Se\n0.347707 0.153293 0.272840 Se\n0.486034 0.138732 0.024334 Se\n0.778009 0.881891 0.387450 Se\n0.194414 0.846707 0.772840 Se\n0.628388 0.789295 0.274150 Se\n0.448902 0.579377 0.163421 Se\n0.869526 0.420623 0.663421 Se\n0.517382 0.502595 0.282581 Se\n0.330025 0.118559 0.527223 Se\n0.881441 0.211466 0.527223 Se\n0.513966 0.652698 0.524334 Se\n0.347302 0.861268 0.524334 Se\n0.221991 0.103882 0.887450 Se\n0.118559 0.330025 0.027223 Se\n0.138732 0.486034 0.524334 Se\n0.160907 0.371612 0.274150 Se\n0.103882 0.221991 0.387450 Se\n0.805586 0.652293 0.272840 Se\n0.204663 0.076534 0.149552 Se\n0.681730 0.496498 0.438497 Se\n0.128129 0.923466 0.649552 Se\n0.318270 0.814768 0.938497 Se\n0.502595 0.517382 0.782581 Se\n0.652293 0.805586 0.772840 Se\n0.871871 0.795337 0.149552 Se\n0.846707 0.194414 0.272840 Se\n0.014787 0.497405 0.782581 Se\n0.788534 0.669975 0.527223 Se\n0.923466 0.128129 0.149552 Se\n0.130474 0.551098 0.163421 Se\n0.652698 0.513966 0.024334 Se\n0.861268 0.347302 0.024334 Se\n0.789295 0.628388 0.774150 Se\n0.985213 0.482618 0.282581 Se\n0.153293 0.347707 0.772840 Se\n0.420623 0.869526 0.163421 Se\n0.211466 0.881441 0.027223 Se\n0.881891 0.778009 0.887450 Se\n0.118109 0.896118 0.387450 Se\n",
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"formula_full": "K10 Na2 Ti12 Se54",
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{
"id": "mp-38307",
"created_at": "2022-09-04T14:42:41.009408Z",
"structure_string": "Mg2 Al4 O8\n1.0\n-2.854904 2.892227 4.054539\n2.854904 -2.892227 4.054539\n2.854904 2.892227 -4.054539\nMg Al O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.114598 0.864598 0.250000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.885402 0.135402 0.750000 Al\n0.235634 0.734598 0.501036 O\n0.733562 0.734598 0.998964 O\n0.246003 0.260552 0.514549 O\n0.246003 0.731454 0.985451 O\n0.753997 0.268546 0.014549 O\n0.266438 0.265402 0.001036 O\n0.753997 0.739448 0.485451 O\n0.764366 0.265402 0.498964 O\n",
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"formula_full": "Mg2 Al4 O8",
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{
"id": "mp-653823",
"created_at": "2022-09-04T14:42:40.566230Z",
"structure_string": "Re4 Te8 Cl44 O2\n1.0\n12.206274 0.000000 0.000000\n0.000000 9.612757 0.000000\n0.000000 8.307688 17.997134\nRe Te Cl O\n4 8 44 2\ndirect\n0.433334 0.583873 0.558810 Re\n0.066666 0.583873 0.058810 Re\n0.566666 0.416127 0.441190 Re\n0.933334 0.416127 0.941190 Re\n0.278093 0.307074 0.007068 Te\n0.721907 0.692926 0.992932 Te\n0.940945 0.161818 0.175100 Te\n0.778093 0.692926 0.492932 Te\n0.221907 0.307074 0.507068 Te\n0.440945 0.838182 0.324900 Te\n0.559055 0.161818 0.675100 Te\n0.059055 0.838182 0.824900 Te\n0.514082 0.165553 0.529848 Cl\n0.404241 0.432185 0.912521 Cl\n0.275149 0.977719 0.309657 Cl\n0.360383 0.686576 0.635564 Cl\n0.452755 0.939967 0.716690 Cl\n0.259840 0.608902 0.498358 Cl\n0.302034 0.065134 0.003390 Cl\n0.014082 0.834447 0.970152 Cl\n0.224851 0.977719 0.809657 Cl\n0.724851 0.022281 0.690343 Cl\n0.802034 0.934866 0.496610 Cl\n0.047245 0.939967 0.216690 Cl\n0.409539 0.248804 0.103091 Cl\n0.139617 0.686576 0.135564 Cl\n0.904241 0.567815 0.587479 Cl\n0.568019 0.171695 0.792920 Cl\n0.590461 0.751196 0.896909 Cl\n0.985918 0.165553 0.029848 Cl\n0.865979 0.665140 0.852447 Cl\n0.931981 0.171695 0.292920 Cl\n0.365979 0.334860 0.647553 Cl\n0.431981 0.828305 0.207080 Cl\n0.595759 0.567815 0.087479 Cl\n0.639617 0.313424 0.364436 Cl\n0.240160 0.608902 0.998358 Cl\n0.485918 0.834447 0.470152 Cl\n0.392571 0.447418 0.380441 Cl\n0.740160 0.391098 0.501642 Cl\n0.090461 0.248804 0.603091 Cl\n0.547245 0.060033 0.283310 Cl\n0.634021 0.665140 0.352447 Cl\n0.095759 0.432185 0.412521 Cl\n0.197966 0.065134 0.503390 Cl\n0.134021 0.334860 0.147553 Cl\n0.952755 0.060033 0.783310 Cl\n0.107429 0.447418 0.880441 Cl\n0.860383 0.313424 0.864436 Cl\n0.697966 0.934866 0.996610 Cl\n0.909539 0.751196 0.396909 Cl\n0.068019 0.828305 0.707080 Cl\n0.759840 0.391098 0.001642 Cl\n0.892571 0.552582 0.119559 Cl\n0.607429 0.552582 0.619559 Cl\n0.775149 0.022281 0.190343 Cl\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
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"formula_full": "Re4 Te8 Cl44 O2",
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{
"id": "mp-1103295",
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"structure_string": "Al3 F9\n1.0\n2.559727 -4.433577 0.000000\n2.559727 4.433577 0.000000\n0.000000 0.000000 6.349509\nAl F\n3 9\ndirect\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.333494 Al\n0.333333 0.666667 0.666506 Al\n0.000000 0.476483 0.500000 F\n0.476483 0.000000 0.500000 F\n0.523517 0.523517 0.500000 F\n0.174796 0.333476 0.833344 F\n0.158680 0.825204 0.833344 F\n0.666524 0.841320 0.833344 F\n0.825204 0.158680 0.166656 F\n0.333476 0.174796 0.166656 F\n0.841320 0.666524 0.166656 F\n",
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"formula_full": "Al3 F9",
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{
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"structure_string": "Gd2 Mo2 Cl2 O8\n1.0\n3.711854 5.203149 0.000000\n-3.711854 5.203149 0.000000\n0.000000 2.057386 6.675683\nGd Mo Cl O\n2 2 2 8\ndirect\n0.778690 0.778690 0.114141 Gd\n0.221310 0.221310 0.885859 Gd\n0.362311 0.362311 0.268226 Mo\n0.637689 0.637689 0.731774 Mo\n0.989223 0.989223 0.766720 Cl\n0.010777 0.010777 0.233280 Cl\n0.706193 0.706193 0.467642 O\n0.490584 0.112895 0.153258 O\n0.293807 0.293807 0.532358 O\n0.509416 0.887105 0.846742 O\n0.887105 0.509416 0.846742 O\n0.458893 0.458893 0.796470 O\n0.112895 0.490584 0.153258 O\n0.541107 0.541107 0.203530 O\n",
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{
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{
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"structure_string": "Ba2 Mg17\n1.0\n6.026205 -5.332691 0.000000\n6.026205 5.332691 0.000000\n1.307215 0.000000 7.940021\nBa Mg\n2 17\ndirect\n0.337880 0.337880 0.337880 Ba\n0.662120 0.662120 0.662120 Ba\n0.297662 0.702338 0.000000 Mg\n0.840036 0.341033 0.341033 Mg\n0.658967 0.159964 0.658967 Mg\n0.100620 0.100620 0.100620 Mg\n0.297662 0.000000 0.702338 Mg\n0.702338 0.297662 0.000000 Mg\n0.341033 0.341033 0.840036 Mg\n0.899380 0.899380 0.899380 Mg\n0.000000 0.702338 0.297662 Mg\n0.000000 0.000000 0.500000 Mg\n0.702338 0.000000 0.297662 Mg\n0.341033 0.840036 0.341033 Mg\n0.159964 0.658967 0.658967 Mg\n0.658967 0.658967 0.159964 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.297662 0.702338 Mg\n0.000000 0.500000 0.000000 Mg\n",
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{
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