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{
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{
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},
{
"id": "mp-1203718",
"created_at": "2022-09-04T14:42:27.922077Z",
"structure_string": "V4 H44 C12 Cl8 O16\n1.0\n9.459436 0.000000 0.000000\n0.000000 11.160740 0.000000\n-7.953685 0.000000 10.385716\nV H C Cl O\n4 44 12 8 16\ndirect\n0.132828 0.806596 0.906649 V\n0.132828 0.693404 0.406649 V\n0.867172 0.193404 0.093351 V\n0.867172 0.306596 0.593351 V\n0.021822 0.573865 0.833079 H\n0.021822 0.926135 0.333079 H\n0.978178 0.426135 0.166921 H\n0.978178 0.073865 0.666921 H\n0.189876 0.738232 0.732772 H\n0.189876 0.761768 0.232772 H\n0.810124 0.261768 0.267228 H\n0.810124 0.238232 0.767228 H\n0.237361 0.104183 0.948657 H\n0.237361 0.395817 0.448657 H\n0.762639 0.895817 0.051343 H\n0.762639 0.604183 0.551343 H\n0.452860 0.057342 0.086497 H\n0.452860 0.442658 0.586497 H\n0.547140 0.942658 0.913503 H\n0.547140 0.557342 0.413503 H\n0.256183 0.027680 0.076385 H\n0.256183 0.472320 0.576385 H\n0.743817 0.972320 0.923615 H\n0.743817 0.527680 0.423615 H\n0.837895 0.645501 0.907492 H\n0.837895 0.854499 0.407492 H\n0.162105 0.354499 0.092508 H\n0.162105 0.145501 0.592508 H\n0.754901 0.543517 0.775805 H\n0.754901 0.956483 0.275805 H\n0.245099 0.456483 0.224195 H\n0.245099 0.043517 0.724195 H\n0.707292 0.701193 0.745324 H\n0.707292 0.798807 0.245324 H\n0.292708 0.298807 0.254676 H\n0.292708 0.201193 0.754676 H\n0.493975 0.643168 0.971488 H\n0.493975 0.856832 0.471488 H\n0.506025 0.356832 0.028512 H\n0.506025 0.143168 0.528512 H\n0.463519 0.661538 0.823324 H\n0.463519 0.838462 0.323324 H\n0.536481 0.338462 0.176676 H\n0.536481 0.161538 0.676676 H\n0.350364 0.542785 0.840256 H\n0.350364 0.957215 0.340256 H\n0.649636 0.457215 0.159744 H\n0.649636 0.042785 0.659744 H\n0.310623 0.033992 0.022503 C\n0.310623 0.466008 0.522503 C\n0.689377 0.966008 0.977497 C\n0.689377 0.533992 0.477497 C\n0.805873 0.634094 0.812081 C\n0.805873 0.865906 0.312081 C\n0.194127 0.365906 0.187919 C\n0.194127 0.134094 0.687919 C\n0.398814 0.635493 0.866505 C\n0.398814 0.864507 0.366505 C\n0.601186 0.364507 0.133495 C\n0.601186 0.135493 0.633495 C\n0.315992 0.677086 0.078024 Cl\n0.315992 0.822914 0.578024 Cl\n0.684008 0.322914 0.921976 Cl\n0.684008 0.177086 0.421976 Cl\n0.947361 0.879925 0.688509 Cl\n0.947361 0.620075 0.188509 Cl\n0.052639 0.120075 0.311491 Cl\n0.052639 0.379925 0.811491 Cl\n0.015728 0.857474 0.949043 O\n0.015728 0.642526 0.449043 O\n0.984272 0.142526 0.050957 O\n0.984272 0.357474 0.550957 O\n0.292135 0.923655 0.961597 O\n0.292135 0.576345 0.461597 O\n0.707865 0.076345 0.038403 O\n0.707865 0.423655 0.538403 O\n0.962368 0.651881 0.818118 O\n0.962368 0.848119 0.318118 O\n0.037632 0.348119 0.181882 O\n0.037632 0.151881 0.681882 O\n0.253109 0.716495 0.823252 O\n0.253109 0.783505 0.323252 O\n0.746891 0.283505 0.176748 O\n0.746891 0.216495 0.676748 O\n",
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"volume": 1096.4647563402282,
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"formula_full": "V4 H44 C12 Cl8 O16",
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{
"id": "mp-1288258",
"created_at": "2022-09-04T14:42:27.923466Z",
"structure_string": "Li8 Ti4 V4 O16\n1.0\n-1.549944 2.478356 2.923237\n-2.668977 -12.012336 8.769368\n3.666962 2.289600 2.926606\nLi Ti V O\n8 4 4 16\ndirect\n0.310681 0.937450 0.378621 Li\n0.810853 0.437301 0.378281 Li\n0.061811 0.186735 0.876383 Li\n0.561282 0.687032 0.877433 Li\n0.625993 0.875479 0.748022 Li\n0.125957 0.375464 0.748098 Li\n0.375261 0.124829 0.249489 Li\n0.875447 0.624983 0.249108 Li\n0.686553 0.061428 0.626832 Ti\n0.186485 0.561534 0.626982 Ti\n0.439468 0.314079 0.121106 Ti\n0.939201 0.814286 0.121668 Ti\n0.497784 0.498859 0.004378 V\n0.250114 0.750179 0.499705 V\n0.998305 0.998921 0.003400 V\n0.750091 0.249963 0.499798 V\n0.857416 0.120737 0.285252 O\n0.357480 0.620983 0.285114 O\n0.613215 0.369155 0.773599 O\n0.113301 0.869195 0.773423 O\n0.516126 0.005603 0.967749 O\n0.015929 0.505653 0.968090 O\n0.267012 0.255122 0.465938 O\n0.767019 0.755297 0.465913 O\n0.813082 0.938231 0.373836 O\n0.312899 0.438258 0.374200 O\n0.565955 0.188278 0.868106 O\n0.066046 0.688433 0.867927 O\n0.184212 0.061134 0.631610 O\n0.684012 0.561222 0.632000 O\n0.935505 0.312006 0.128973 O\n0.435504 0.812172 0.128967 O\n",
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"formula_full": "Li8 Ti4 V4 O16",
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{
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"structure_string": "Li4 H8 N4\n1.0\n3.410031 0.000000 0.000000\n0.000000 5.812310 0.000000\n0.000000 0.000000 6.524529\nLi H N\n4 8 4\ndirect\n0.851607 0.357396 0.950932 Li\n0.148393 0.857396 0.049068 Li\n0.351607 0.857396 0.549068 Li\n0.648393 0.357396 0.450932 Li\n0.811571 0.682216 0.755541 H\n0.188429 0.182216 0.244459 H\n0.311571 0.182216 0.744459 H\n0.688429 0.682216 0.255541 H\n0.934947 0.050070 0.416855 H\n0.065053 0.550070 0.583145 H\n0.434947 0.550070 0.083145 H\n0.565053 0.050070 0.916855 H\n0.830321 0.660308 0.598621 N\n0.169679 0.160308 0.401379 N\n0.330321 0.160308 0.901379 N\n0.669679 0.660308 0.098621 N\n",
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"formula_full": "Li4 H8 N4",
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{
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{
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"structure_string": "Li4 Fe8 C8 O28\n1.0\n7.981212 0.000000 0.000000\n0.000000 7.718762 0.000000\n0.000000 4.382789 11.078432\nLi Fe C O\n4 8 8 28\ndirect\n0.734551 0.489549 0.903401 Li\n0.234551 0.510451 0.596599 Li\n0.765449 0.489549 0.403401 Li\n0.265449 0.510451 0.096599 Li\n0.599777 0.780872 0.613648 Fe\n0.611572 0.336109 0.145088 Fe\n0.888428 0.336109 0.645088 Fe\n0.099777 0.219128 0.886352 Fe\n0.900223 0.780872 0.113648 Fe\n0.111572 0.663891 0.354912 Fe\n0.388428 0.663891 0.854912 Fe\n0.400223 0.219128 0.386352 Fe\n0.891061 0.738072 0.537079 C\n0.391061 0.261928 0.962921 C\n0.912790 0.171999 0.087320 C\n0.412790 0.828001 0.412680 C\n0.587210 0.171999 0.587320 C\n0.087210 0.828001 0.912680 C\n0.608939 0.738072 0.037079 C\n0.108939 0.261928 0.462921 C\n0.834838 0.862866 0.575748 O\n0.583810 0.623569 0.772134 O\n0.418605 0.705365 0.524450 O\n0.779484 0.607860 0.538127 O\n0.279484 0.392140 0.961873 O\n0.828675 0.202803 0.168685 O\n0.918605 0.294635 0.975550 O\n0.083810 0.376431 0.727866 O\n0.541789 0.265952 0.997519 O\n0.501437 0.979356 0.389197 O\n0.001437 0.020644 0.110803 O\n0.334838 0.137134 0.924252 O\n0.671325 0.202803 0.668685 O\n0.041789 0.734048 0.502481 O\n0.958211 0.265952 0.497519 O\n0.328675 0.797197 0.331315 O\n0.665162 0.862866 0.075748 O\n0.998563 0.979356 0.889197 O\n0.498563 0.020644 0.610803 O\n0.458211 0.734048 0.002481 O\n0.916190 0.623569 0.272134 O\n0.081395 0.705365 0.024450 O\n0.171325 0.797197 0.831315 O\n0.720516 0.607860 0.038127 O\n0.220516 0.392140 0.461873 O\n0.581395 0.294635 0.475550 O\n0.416190 0.376431 0.227866 O\n0.165162 0.137134 0.424252 O\n",
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{
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"structure_string": "Sr1 Nd1 Hf1 Fe1 O6\n1.0\n-0.000000 -4.033172 -4.033172\n4.033172 0.000000 -4.033172\n4.033172 -4.033172 -0.000000\nSr Nd Hf Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Hf\n-0.000000 0.000000 0.000000 Fe\n0.753021 0.246979 0.246979 O\n0.246979 0.753021 0.753021 O\n0.753021 0.246979 0.753021 O\n0.246979 0.753021 0.246979 O\n0.753021 0.753021 0.246979 O\n0.246979 0.246979 0.753021 O\n",
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{
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{
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