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{
"id": "mp-1221143",
"created_at": "2022-09-04T14:43:13.994015Z",
"structure_string": "Na4 Li16 H40 N20\n1.0\n6.732284 0.000000 0.000000\n0.892483 9.843305 0.000000\n1.947546 1.155807 11.219649\nNa Li H N\n4 16 40 20\ndirect\n0.849733 0.649992 0.949658 Na\n0.049812 0.450084 0.350206 Na\n0.250123 0.249776 0.749861 Na\n0.450012 0.049867 0.150281 Na\n0.911936 0.105176 0.797975 Li\n0.320797 0.708204 0.598081 Li\n0.711766 0.304589 0.397902 Li\n0.111767 0.905334 0.198634 Li\n0.512020 0.504985 0.997940 Li\n0.588323 0.394577 0.701759 Li\n0.980074 0.991573 0.502939 Li\n0.389000 0.594609 0.301790 Li\n0.788260 0.194550 0.101601 Li\n0.187444 0.796054 0.901532 Li\n0.403247 0.601794 0.798012 Li\n0.798337 0.196723 0.600244 Li\n0.198131 0.801559 0.402115 Li\n0.600216 0.399707 0.199743 Li\n0.999628 0.000228 0.000004 Li\n0.650804 0.850449 0.550045 Li\n0.787989 0.435420 0.825939 H\n0.187427 0.035710 0.625336 H\n0.588695 0.640533 0.428379 H\n0.987917 0.235197 0.225802 H\n0.388730 0.835522 0.026120 H\n0.924876 0.298533 0.929265 H\n0.332561 0.898661 0.726224 H\n0.725082 0.497287 0.528875 H\n0.124087 0.098127 0.330282 H\n0.525239 0.698859 0.129024 H\n0.394788 0.381148 0.454360 H\n0.794492 0.981103 0.253822 H\n0.196267 0.582450 0.052774 H\n0.595123 0.181183 0.854089 H\n0.989042 0.781211 0.651543 H\n0.291790 0.485262 0.590788 H\n0.688932 0.079776 0.394089 H\n0.093694 0.684768 0.191365 H\n0.492163 0.284660 0.990900 H\n0.891188 0.884514 0.790738 H\n0.357714 0.988049 0.963524 H\n0.561246 0.793211 0.365355 H\n0.756032 0.587969 0.763319 H\n0.956467 0.387866 0.163978 H\n0.156358 0.188066 0.563474 H\n0.535471 0.820831 0.763793 H\n0.726483 0.619474 0.167265 H\n0.925020 0.417009 0.567234 H\n0.126069 0.219138 0.967364 H\n0.325218 0.018295 0.368188 H\n0.561534 0.094600 0.749639 H\n0.760420 0.894658 0.149791 H\n0.950511 0.692909 0.549626 H\n0.161620 0.495805 0.948903 H\n0.359967 0.295037 0.350062 H\n0.757704 0.898417 0.919193 H\n0.959259 0.699436 0.319804 H\n0.156120 0.498362 0.718895 H\n0.356451 0.298144 0.119004 H\n0.550313 0.092809 0.521596 H\n0.684687 0.518413 0.827132 N\n0.083788 0.118566 0.626778 N\n0.493565 0.727888 0.433776 N\n0.884316 0.318049 0.227168 N\n0.284288 0.917850 0.025755 N\n0.999470 0.203248 0.932837 N\n0.416745 0.806725 0.722065 N\n0.798776 0.401605 0.532146 N\n0.199935 0.003258 0.332024 N\n0.598868 0.603297 0.133868 N\n0.412601 0.385872 0.363162 N\n0.811444 0.986095 0.162617 N\n0.211763 0.587600 0.961563 N\n0.610382 0.186554 0.762965 N\n0.986255 0.788556 0.561461 N\n0.304654 0.493600 0.677698 N\n0.698532 0.077320 0.483023 N\n0.107552 0.691365 0.278462 N\n0.505004 0.292351 0.077928 N\n0.905887 0.891949 0.877529 N\n",
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"elements": [
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"H",
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],
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"density_atomic": 0.10759877972396935,
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"formula_full": "Na4 Li16 H40 N20",
"formula_reduced": "NaLi4(H2N)5",
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"updated_at": "2021-11-28T01:36:08.336000Z",
"spacegroup": 1
},
{
"id": "mp-19006",
"created_at": "2022-09-04T14:43:07.867578Z",
"structure_string": "Mn2 O2\n1.0\n-2.768974 -0.000050 -1.598707\n1.845949 -2.610658 -0.000023\n-3.647220 -2.579038 3.119833\nMn O\n2 2\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.750000 0.750000 O\n0.500000 0.250000 0.250000 O\n",
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"elements": [
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"volume": 45.386638186518894,
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},
{
"id": "mp-1519400",
"created_at": "2022-09-04T14:43:10.827833Z",
"structure_string": "Ba1 Sr1 Nd1 Bi1 O6\n1.0\n0.000000 -4.409387 -4.409387\n4.409387 -0.000000 -4.409387\n4.409387 -4.409387 0.000000\nBa Sr Nd Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Nd\n-0.000000 0.000000 0.000000 Bi\n0.759933 0.240067 0.240067 O\n0.240067 0.759933 0.759933 O\n0.759933 0.240067 0.759933 O\n0.240067 0.759933 0.240067 O\n0.759933 0.759933 0.240067 O\n0.240067 0.240067 0.759933 O\n",
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"formula_full": "Ba1 Sr1 Nd1 Bi1 O6",
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"updated_at": "2021-11-28T01:36:06.775000Z",
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},
{
"id": "mp-753288",
"created_at": "2022-09-04T14:43:15.652816Z",
"structure_string": "Li3 V1 F8\n1.0\n4.671857 3.518403 0.000000\n-4.671857 3.518403 0.000000\n0.000000 2.863864 4.810859\nLi V F\n3 1 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.163308 0.163308 0.615766 F\n0.193898 0.806102 0.000000 F\n0.806102 0.193898 0.000000 F\n0.836692 0.836692 0.384234 F\n0.254142 0.254142 0.001034 F\n0.302527 0.697473 0.500000 F\n0.697473 0.302527 0.500000 F\n0.745858 0.745858 0.998966 F\n",
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],
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"formula_full": "Li3 V1 F8",
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{
"id": "mp-697211",
"created_at": "2022-09-04T14:43:02.274765Z",
"structure_string": "Na8 Ca4 Pb12 C20 O60\n1.0\n5.363618 9.257876 0.000000\n-5.363618 9.257876 0.000000\n0.000000 0.231052 13.515939\nNa Ca Pb C O\n8 4 12 20 60\ndirect\n0.526424 0.522966 0.404637 Na\n0.522966 0.526424 0.904637 Na\n0.949713 0.526350 0.904811 Na\n0.526350 0.949713 0.404811 Na\n0.473394 0.051841 0.156762 Na\n0.478780 0.047552 0.652293 Na\n0.047552 0.478780 0.152293 Na\n0.051841 0.473394 0.656762 Na\n0.953583 0.522430 0.410529 Ca\n0.522430 0.953583 0.910529 Ca\n0.473434 0.480165 0.161338 Ca\n0.480165 0.473434 0.661338 Ca\n0.850208 0.309620 0.247049 Pb\n0.854170 0.314134 0.749001 Pb\n0.314134 0.854170 0.249001 Pb\n0.309620 0.850208 0.747049 Pb\n0.167838 0.147264 0.499408 Pb\n0.147264 0.167838 0.999408 Pb\n0.836094 0.848258 0.241048 Pb\n0.848258 0.836094 0.741048 Pb\n0.688362 0.161401 0.995869 Pb\n0.686511 0.151094 0.491599 Pb\n0.161401 0.688362 0.495869 Pb\n0.151094 0.686511 0.991599 Pb\n0.000884 0.999362 0.925222 C\n0.792560 0.409349 0.027726 C\n0.795048 0.409106 0.526986 C\n0.998379 0.000836 0.675162 C\n0.666081 0.664091 0.249709 C\n0.409106 0.795048 0.026986 C\n0.664091 0.666081 0.749709 C\n0.409349 0.792560 0.527726 C\n0.798246 0.793137 0.525145 C\n0.793137 0.798246 0.025145 C\n0.202054 0.207231 0.277973 C\n0.207231 0.202054 0.777973 C\n0.591480 0.205831 0.274974 C\n0.590573 0.203784 0.777101 C\n0.999362 0.000884 0.425222 C\n0.335856 0.330588 0.999601 C\n0.330588 0.335856 0.499601 C\n0.203784 0.590573 0.277101 C\n0.205831 0.591480 0.774974 C\n0.000836 0.998379 0.175162 C\n0.929443 0.140642 0.425872 O\n0.930772 0.139943 0.927890 O\n0.699762 0.381895 0.075554 O\n0.703445 0.381164 0.573571 O\n0.911413 0.379964 0.074245 O\n0.914036 0.383065 0.571070 O\n0.770279 0.461551 0.438913 O\n0.768252 0.460004 0.940221 O\n0.381164 0.703445 0.073571 O\n0.381895 0.699762 0.575554 O\n0.593033 0.596477 0.743584 O\n0.596477 0.593033 0.243584 O\n0.460004 0.768252 0.440221 O\n0.806974 0.593300 0.256693 O\n0.139943 0.930772 0.427890 O\n0.461551 0.770279 0.938913 O\n0.803808 0.596471 0.748437 O\n0.140642 0.929443 0.925872 O\n0.071072 0.069110 0.178431 O\n0.069110 0.071072 0.678431 O\n0.593300 0.806974 0.756693 O\n0.596471 0.803808 0.248437 O\n0.383065 0.914036 0.071070 O\n0.379964 0.911413 0.574245 O\n0.765113 0.771670 0.938617 O\n0.771670 0.765113 0.438617 O\n0.912044 0.709131 0.070410 O\n0.917924 0.699764 0.569717 O\n0.291014 0.087585 0.325208 O\n0.299869 0.082958 0.825091 O\n0.699764 0.917924 0.069717 O\n0.709131 0.912044 0.570410 O\n0.087585 0.291014 0.825208 O\n0.082958 0.299869 0.325091 O\n0.228203 0.232160 0.190182 O\n0.232160 0.228203 0.690182 O\n0.623004 0.085878 0.321365 O\n0.619030 0.084276 0.823271 O\n0.406878 0.190065 0.993802 O\n0.400292 0.196170 0.497394 O\n0.929893 0.929900 0.426241 O\n0.929900 0.929893 0.926241 O\n0.860345 0.069740 0.175316 O\n0.196170 0.400292 0.997394 O\n0.537687 0.232846 0.187756 O\n0.859075 0.070050 0.676129 O\n0.190065 0.406878 0.493802 O\n0.537845 0.231172 0.689494 O\n0.406689 0.400723 0.007206 O\n0.400723 0.406689 0.507206 O\n0.615103 0.300739 0.318690 O\n0.616125 0.297104 0.820886 O\n0.231172 0.537845 0.189494 O\n0.232846 0.537687 0.687756 O\n0.085878 0.623004 0.821365 O\n0.084276 0.619030 0.323271 O\n0.297104 0.616125 0.320886 O\n0.300739 0.615103 0.818690 O\n0.070050 0.859075 0.176129 O\n0.069740 0.860345 0.675316 O\n",
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"formula_full": "Na8 Ca4 Pb12 C20 O60",
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{
"id": "mp-1519132",
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"structure_string": "Sr1 Ca1 Hf1 Sn1 O6\n1.0\n0.000000 -4.103136 -4.103136\n4.103136 -0.000000 -4.103136\n4.103136 -4.103136 0.000000\nSr Ca Hf Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749859 0.250141 0.250141 O\n0.250141 0.749859 0.749859 O\n0.749859 0.250141 0.749859 O\n0.250141 0.749859 0.250141 O\n0.749859 0.749859 0.250141 O\n0.250141 0.250141 0.749859 O\n",
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"formula_full": "Sr1 Ca1 Hf1 Sn1 O6",
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{
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"structure_string": "Nd3 Al3 Si3 N2 O12\n1.0\n4.062076 6.875664 0.000000\n-4.062076 6.875664 0.000000\n0.000000 0.067884 4.922636\nNd Al Si N O\n3 3 3 2 12\ndirect\n0.583185 0.012655 0.005755 Nd\n0.987345 0.416815 0.994245 Nd\n0.416012 0.583988 0.000000 Nd\n0.237223 0.990037 0.520378 Al\n0.005642 0.994358 0.000000 Al\n0.009963 0.762777 0.479622 Al\n0.669783 0.666602 0.542043 Si\n0.333398 0.330217 0.457957 Si\n0.738190 0.261810 0.500000 Si\n0.699205 0.460582 0.684879 N\n0.539418 0.300795 0.315121 N\n0.212891 0.859410 0.248964 O\n0.473128 0.846055 0.677423 O\n0.872892 0.895182 0.198405 O\n0.659744 0.677298 0.209080 O\n0.844332 0.700425 0.666323 O\n0.140590 0.787109 0.751036 O\n0.153945 0.526872 0.322577 O\n0.908684 0.212668 0.265136 O\n0.104818 0.127108 0.801595 O\n0.322702 0.340256 0.790920 O\n0.299575 0.155668 0.333677 O\n0.787332 0.091316 0.734864 O\n",
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{
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"structure_string": "Li1 In1 Mo3 O8\n1.0\n2.923800 -5.064171 0.000000\n2.923800 5.064171 0.000000\n0.000000 0.000000 5.090973\nLi In Mo O\n1 1 3 8\ndirect\n0.000000 0.000000 0.698742 Li\n0.666667 0.333333 0.729647 In\n0.186506 0.813494 0.252181 Mo\n0.626989 0.813494 0.252181 Mo\n0.186506 0.373011 0.252181 Mo\n0.000000 0.000000 0.060156 O\n0.000275 0.500138 0.014257 O\n0.499862 0.999725 0.014257 O\n0.499862 0.500138 0.014257 O\n0.333333 0.666667 0.533410 O\n0.841333 0.158667 0.476910 O\n0.841333 0.682666 0.476910 O\n0.317334 0.158667 0.476910 O\n",
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{
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"structure_string": "Na8 Te4 O12\n1.0\n10.392702 0.000000 0.000000\n0.000000 5.015586 0.000000\n0.000000 0.158126 6.966570\nNa Te O\n8 4 12\ndirect\n0.413385 0.755482 0.141229 Na\n0.913385 0.244518 0.358771 Na\n0.586615 0.244518 0.858771 Na\n0.086615 0.755482 0.641229 Na\n0.246793 0.256339 0.404689 Na\n0.746793 0.743661 0.095311 Na\n0.753207 0.743661 0.595311 Na\n0.253207 0.256339 0.904689 Na\n0.082678 0.735647 0.167123 Te\n0.582678 0.264353 0.332877 Te\n0.917322 0.264353 0.832877 Te\n0.417322 0.735647 0.667123 Te\n0.216147 0.773291 0.353986 O\n0.716147 0.226709 0.146014 O\n0.783853 0.226709 0.646014 O\n0.283853 0.773291 0.853986 O\n0.437352 0.247793 0.166912 O\n0.937352 0.752207 0.333088 O\n0.562648 0.752207 0.833088 O\n0.062648 0.247793 0.666912 O\n0.095372 0.357514 0.149396 O\n0.595372 0.642486 0.350604 O\n0.904628 0.642486 0.850604 O\n0.404628 0.357514 0.649396 O\n",
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{
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"formula_full": "Mn4 As4 O16",
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"formula_full": "Rb1 Dy1 O2",
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{
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"structure_string": "Ga1 B3 N4\n1.0\n3.873710 0.000000 0.000000\n0.000000 3.873710 0.000000\n0.000000 0.000000 3.873710\nGa B N\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 B\n0.500000 0.000000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.727476 0.727476 0.272524 N\n0.727476 0.272524 0.727476 N\n0.272524 0.727476 0.727476 N\n0.272524 0.272524 0.272524 N\n",
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