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{
"id": "mp-779703",
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{
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"structure_string": "Li6 Sb6 P8 O32\n1.0\n9.118030 0.000000 0.000000\n-3.499374 9.002823 0.000000\n-2.370035 -4.578528 9.129795\nLi Sb P O\n6 6 8 32\ndirect\n0.022094 0.439052 0.235640 Li\n0.478153 0.433145 0.148604 Li\n0.305706 0.349841 0.707890 Li\n0.694294 0.650159 0.292110 Li\n0.521847 0.566855 0.851396 Li\n0.977906 0.560948 0.764360 Li\n0.792531 0.033938 0.446124 Sb\n0.874614 0.119078 0.847391 Sb\n0.485246 0.070253 0.749931 Sb\n0.514754 0.929747 0.250069 Sb\n0.125386 0.880922 0.152609 Sb\n0.207469 0.966062 0.553876 Sb\n0.566342 0.281552 0.414992 P\n0.984411 0.176227 0.077904 P\n0.599812 0.269964 0.941465 P\n0.071640 0.252718 0.507256 P\n0.928360 0.747282 0.492744 P\n0.400188 0.730036 0.058535 P\n0.015589 0.823773 0.922096 P\n0.433658 0.718448 0.585008 P\n0.785934 0.043075 0.119740 O\n0.504930 0.104245 0.082786 O\n0.864303 0.117964 0.587801 O\n0.459536 0.117554 0.396761 O\n0.739724 0.283435 0.402213 O\n0.061320 0.078294 0.150768 O\n0.444557 0.245164 0.576517 O\n0.798231 0.320674 0.863821 O\n0.171997 0.162081 0.455242 O\n0.505239 0.230150 0.841548 O\n0.582959 0.430426 0.300858 O\n0.996120 0.316067 0.116240 O\n0.117935 0.400143 0.378617 O\n0.901549 0.717475 0.360566 O\n0.070867 0.227247 0.905833 O\n0.431818 0.596468 0.027842 O\n0.568182 0.403532 0.972158 O\n0.929133 0.772753 0.094167 O\n0.098451 0.282525 0.639434 O\n0.882065 0.599857 0.621383 O\n0.003880 0.683933 0.883760 O\n0.417041 0.569574 0.699142 O\n0.494761 0.769850 0.158452 O\n0.828003 0.837919 0.544758 O\n0.201769 0.679326 0.136179 O\n0.555443 0.754836 0.423483 O\n0.938680 0.921706 0.849232 O\n0.260276 0.716565 0.597787 O\n0.540464 0.882446 0.603239 O\n0.135697 0.882036 0.412199 O\n0.495070 0.895755 0.917214 O\n0.214066 0.956925 0.880260 O\n",
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"formula_full": "Li6 Sb6 P8 O32",
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"spacegroup": 2
},
{
"id": "mp-1094052",
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"structure_string": "Sm3 Al1 N1\n1.0\n4.916424 0.000000 0.000000\n0.000000 4.916424 0.000000\n0.000000 0.000000 4.916424\nSm Al N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Sm\n0.500000 0.000000 0.500000 Sm\n0.000000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 N\n",
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{
"id": "mp-1120743",
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"structure_string": "P4\n1.0\n4.148696 -5.785817 0.000000\n4.148696 5.785817 0.000000\n0.000000 0.000000 7.155529\nP\n4\ndirect\n0.394198 0.394198 0.448684 P\n0.894198 0.894198 0.051316 P\n0.605802 0.605802 0.551316 P\n0.105802 0.105802 0.948684 P\n",
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{
"id": "mp-1210931",
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"structure_string": "Li4 Fe4 Cl16\n1.0\n6.763043 0.000000 0.000000\n0.000000 7.158935 0.000000\n0.000000 0.806413 13.250594\nLi Fe Cl\n4 4 16\ndirect\n0.482602 0.842766 0.865275 Li\n0.517398 0.157234 0.134725 Li\n0.982602 0.157234 0.634725 Li\n0.017398 0.842766 0.365275 Li\n0.175365 0.708911 0.601355 Fe\n0.824635 0.291089 0.398645 Fe\n0.675365 0.291089 0.898645 Fe\n0.324635 0.708911 0.101355 Fe\n0.179782 0.432668 0.684283 Cl\n0.820218 0.567332 0.315717 Cl\n0.679782 0.567332 0.815717 Cl\n0.320218 0.432668 0.184283 Cl\n0.319328 0.927431 0.690018 Cl\n0.680672 0.072569 0.309982 Cl\n0.819328 0.072569 0.809982 Cl\n0.180672 0.927431 0.190018 Cl\n0.189055 0.697056 0.950835 Cl\n0.810945 0.302944 0.049165 Cl\n0.689055 0.302944 0.549165 Cl\n0.310945 0.697056 0.450835 Cl\n0.872137 0.815065 0.570315 Cl\n0.127863 0.184935 0.429685 Cl\n0.372137 0.184935 0.929685 Cl\n0.627863 0.815065 0.070315 Cl\n",
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{
"id": "mp-1197742",
"created_at": "2022-09-04T14:43:57.922661Z",
"structure_string": "In12 Te30\n1.0\n2.189755 8.645434 0.000000\n-2.189755 8.645434 0.000000\n0.000000 7.728387 41.773145\nIn Te\n12 30\ndirect\n0.063648 0.947664 0.556275 In\n0.052336 0.936352 0.943725 In\n0.936352 0.052336 0.443725 In\n0.947664 0.063648 0.056275 In\n0.420525 0.307820 0.610902 In\n0.692180 0.579475 0.889098 In\n0.579475 0.692180 0.389098 In\n0.307820 0.420525 0.110902 In\n0.824935 0.581397 0.721922 In\n0.418603 0.175065 0.778078 In\n0.175065 0.418603 0.278078 In\n0.581397 0.824935 0.221922 In\n0.014743 0.905028 0.625740 Te\n0.094972 0.985257 0.874260 Te\n0.985257 0.094972 0.374260 Te\n0.905028 0.014743 0.125740 Te\n0.466071 0.355087 0.541118 Te\n0.644913 0.533929 0.958882 Te\n0.533929 0.644913 0.458882 Te\n0.355087 0.466071 0.041118 Te\n0.229192 0.174395 0.630519 Te\n0.825605 0.770808 0.869481 Te\n0.770808 0.825605 0.369481 Te\n0.174395 0.229192 0.130519 Te\n0.754708 0.615048 0.581195 Te\n0.384952 0.245292 0.918805 Te\n0.245292 0.384952 0.418805 Te\n0.615048 0.754708 0.081195 Te\n0.193477 0.138850 0.532455 Te\n0.861150 0.806523 0.967545 Te\n0.806523 0.861150 0.467545 Te\n0.138850 0.193477 0.032455 Te\n0.430866 0.193787 0.708281 Te\n0.806213 0.569134 0.791719 Te\n0.569134 0.806213 0.291719 Te\n0.193787 0.430866 0.208281 Te\n0.642330 0.480533 0.700499 Te\n0.519467 0.357670 0.799501 Te\n0.357670 0.519467 0.299501 Te\n0.480533 0.642330 0.200499 Te\n0.133527 0.866473 0.750000 Te\n0.866473 0.133527 0.250000 Te\n",
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{
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"structure_string": "Li2 Cr3 Te1 O8\n1.0\n5.366781 -3.009602 0.000000\n5.366781 3.009602 0.000000\n3.679046 0.000000 4.932004\nLi Cr Te O\n2 3 1 8\ndirect\n0.871582 0.871582 0.871582 Li\n0.128418 0.128418 0.128418 Li\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.500000 Te\n0.734437 0.734437 0.734437 O\n0.741394 0.284585 0.741394 O\n0.284585 0.741394 0.741394 O\n0.741394 0.741394 0.284585 O\n0.258606 0.258606 0.715415 O\n0.715415 0.258606 0.258606 O\n0.258606 0.715415 0.258606 O\n0.265563 0.265563 0.265563 O\n",
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{
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"structure_string": "Mg1 V1 Fe1 P4 O14\n1.0\n4.919043 0.040933 0.017289\n0.049144 8.366882 0.024148\n-2.272823 0.031388 6.561159\nMg V Fe P O\n1 1 1 4 14\ndirect\n0.186055 0.877763 0.707216 Mg\n0.204410 0.495931 0.731861 V\n0.766322 0.018584 0.265486 Fe\n0.378226 0.189798 0.519793 P\n0.213874 0.788985 0.095270 P\n0.784612 0.284879 0.914868 P\n0.605977 0.690252 0.494516 P\n0.054692 0.322782 0.862675 O\n0.111021 0.696165 0.894741 O\n0.153945 0.056953 0.510636 O\n0.255301 0.357003 0.509585 O\n0.391638 0.696040 0.616551 O\n0.595861 0.432291 0.910137 O\n0.603973 0.156232 0.745679 O\n0.421399 0.667872 0.258271 O\n0.392839 0.927043 0.047559 O\n0.533049 0.161357 0.366516 O\n0.759074 0.852694 0.509860 O\n0.808872 0.548262 0.543408 O\n0.859730 0.185381 0.109631 O\n0.974739 0.843636 0.172629 O\n",
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{
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"structure_string": "P4 H24 N14 Cl2\n1.0\n5.926054 0.000000 0.000000\n-0.153054 7.473199 0.000000\n-2.569683 -3.785467 10.053576\nP H N Cl\n4 24 14 2\ndirect\n0.232749 0.168825 0.569928 P\n0.400731 0.040897 0.806297 P\n0.599269 0.959103 0.193703 P\n0.767251 0.831175 0.430072 P\n0.214790 0.720932 0.968774 H\n0.187633 0.720776 0.855978 H\n0.182524 0.262823 0.827306 H\n0.154041 0.668121 0.497271 H\n0.097172 0.012313 0.367426 H\n0.250954 0.820351 0.599272 H\n0.195163 0.450510 0.345978 H\n0.475273 0.282838 0.845643 H\n0.213319 0.073670 0.171494 H\n0.384835 0.536671 0.405082 H\n0.508436 0.794603 0.685750 H\n0.235974 0.156520 0.036167 H\n0.764026 0.843480 0.963833 H\n0.491564 0.205397 0.314250 H\n0.615165 0.463329 0.594918 H\n0.786681 0.926330 0.828506 H\n0.524727 0.717162 0.154357 H\n0.804837 0.549490 0.654022 H\n0.749046 0.179649 0.400728 H\n0.902828 0.987687 0.632574 H\n0.845959 0.331879 0.502729 H\n0.817476 0.737177 0.172694 H\n0.812367 0.279224 0.144022 H\n0.785210 0.279068 0.031226 H\n0.216878 0.828276 0.873713 N\n0.050932 0.840020 0.449643 N\n0.347362 0.196026 0.840503 N\n0.334055 0.874131 0.640408 N\n0.246474 0.441366 0.417365 N\n0.366869 0.209500 0.654108 N\n0.317771 0.067335 0.127959 N\n0.682229 0.932665 0.872041 N\n0.633131 0.790500 0.345892 N\n0.753526 0.558634 0.582635 N\n0.665945 0.125869 0.359592 N\n0.652638 0.803974 0.159497 N\n0.949068 0.159980 0.550357 N\n0.783122 0.171724 0.126287 N\n0.129072 0.485858 0.177424 Cl\n0.870928 0.514142 0.822576 Cl\n",
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"formula_full": "P4 H24 N14 Cl2",
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},
{
"id": "mp-1015908",
"created_at": "2022-09-04T14:43:58.038175Z",
"structure_string": "Cr3 N6\n1.0\n2.077639 -3.598577 0.000000\n2.077639 3.598577 0.000000\n0.000000 0.000000 4.692999\nCr N\n3 6\ndirect\n0.621842 0.621842 0.000000 Cr\n0.378158 0.000000 0.666667 Cr\n0.000000 0.378158 0.333333 Cr\n0.653181 0.808951 0.420529 N\n0.191049 0.844231 0.087195 N\n0.155769 0.346819 0.753862 N\n0.808951 0.653181 0.579471 N\n0.844231 0.191049 0.912805 N\n0.346819 0.155769 0.246138 N\n",
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"elements": [
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],
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"volume": 70.17482627724453,
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"formula_full": "Cr3 N6",
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},
{
"id": "mp-865957",
"created_at": "2022-09-04T14:43:58.046267Z",
"structure_string": "Ac1 Sn1 Au2\n1.0\n0.000000 3.720817 3.720817\n3.720817 0.000000 3.720817\n3.720817 3.720817 0.000000\nAc Sn Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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"density": 11.92137644399923,
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"volume": 103.02554673624515,
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"formula_full": "Ac1 Sn1 Au2",
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"spacegroup": 225
},
{
"id": "mp-1173625",
"created_at": "2022-09-04T14:43:58.052362Z",
"structure_string": "Sr20 Mg6 Fe4 Mo10 O60\n1.0\n4.903405 -0.011428 -2.816759\n-16.373597 46.284553 -28.198656\n0.013077 0.014633 5.668809\nSr Mg Fe Mo O\n20 6 4 10 60\ndirect\n0.249682 0.074962 0.499746 Sr\n0.250047 0.175006 0.500299 Sr\n0.250052 0.274993 0.500260 Sr\n0.250090 0.374994 0.500337 Sr\n0.250161 0.474905 0.500444 Sr\n0.256482 0.576081 0.509000 Sr\n0.246557 0.675119 0.496520 Sr\n0.251546 0.775228 0.506775 Sr\n0.247359 0.873831 0.489770 Sr\n0.250496 0.975043 0.500715 Sr\n0.749839 0.025095 0.499556 Sr\n0.749910 0.125006 0.499663 Sr\n0.749948 0.225007 0.499740 Sr\n0.749953 0.324994 0.499701 Sr\n0.749504 0.524957 0.499285 Sr\n0.752641 0.626169 0.510230 Sr\n0.750318 0.425038 0.500254 Sr\n0.748454 0.724772 0.493225 Sr\n0.753443 0.824881 0.503480 Sr\n0.743518 0.923919 0.491000 Sr\n0.000187 0.000083 0.000225 Mg\n0.000154 0.100043 0.000102 Mg\n0.000055 0.200019 0.000063 Mg\n-0.000055 0.299981 -0.000063 Mg\n-0.000154 0.399956 -0.000102 Mg\n-0.000187 0.499917 -0.000225 Mg\n0.003456 0.600659 0.003629 Fe\n0.998703 0.699751 0.997398 Fe\n0.001297 0.800249 0.002602 Fe\n0.996544 0.899341 0.996371 Fe\n0.499232 0.049863 0.998674 Mo\n0.499902 0.149979 -0.000178 Mo\n0.500000 0.250000 -0.000000 Mo\n0.500768 0.450137 0.001326 Mo\n0.500098 0.350021 0.000178 Mo\n0.500323 0.549760 0.999002 Mo\n0.497244 0.649823 0.998801 Mo\n0.500000 0.750000 -0.000000 Mo\n0.502756 0.850177 0.001199 Mo\n0.499677 0.950240 0.000998 Mo\n0.257630 0.025701 0.514852 O\n0.257813 0.125728 0.515359 O\n0.258005 0.225780 0.515736 O\n0.258198 0.325838 0.516148 O\n0.258559 0.425970 0.516777 O\n0.258969 0.525741 0.517474 O\n0.250479 0.623236 0.501362 O\n0.259964 0.726295 0.519012 O\n0.260113 0.827639 0.531529 O\n0.257376 0.926409 0.513523 O\n0.222504 0.070398 0.998733 O\n0.222887 0.170458 0.999433 O\n0.223068 0.270508 0.999830 O\n0.223349 0.370566 0.000358 O\n0.224434 0.470684 0.001582 O\n0.218556 0.569990 0.996120 O\n0.210744 0.669289 0.988738 O\n0.221438 0.769866 0.003083 O\n0.210848 0.872591 0.008023 O\n0.224938 0.970707 0.000175 O\n0.292963 0.022155 0.998019 O\n0.293961 0.122201 0.999351 O\n0.294226 0.222259 -0.000079 O\n0.294383 0.322311 0.000279 O\n0.294461 0.422398 0.000922 O\n0.294177 0.522178 -0.000999 O\n0.288481 0.619483 0.996588 O\n0.294877 0.721635 0.994703 O\n0.303839 0.822402 0.016864 O\n0.290826 0.922777 0.002024 O\n0.741441 0.074030 0.483223 O\n0.741802 0.174162 0.483852 O\n0.741995 0.274220 0.484264 O\n0.742187 0.374272 0.484641 O\n0.742370 0.474299 0.485148 O\n0.742624 0.573591 0.486477 O\n0.739887 0.672361 0.468471 O\n0.740036 0.773705 0.480988 O\n0.749521 0.876764 0.498638 O\n0.741031 0.974259 0.482526 O\n0.705539 0.077602 0.999078 O\n0.705617 0.177689 0.999721 O\n0.705774 0.277741 0.000079 O\n0.706039 0.377799 0.000649 O\n0.707037 0.477845 0.001981 O\n0.709175 0.577223 0.997976 O\n0.696161 0.677598 0.983136 O\n0.705123 0.778365 0.005297 O\n0.711519 0.880517 0.003412 O\n0.705823 0.977822 0.000999 O\n0.775566 0.029316 0.998418 O\n0.776651 0.129434 -0.000358 O\n0.776932 0.229492 0.000170 O\n0.777113 0.329542 0.000567 O\n0.777496 0.429602 0.001267 O\n0.775062 0.529293 -0.000175 O\n0.789152 0.627409 0.991977 O\n0.778562 0.730134 0.996917 O\n0.789256 0.830711 0.011262 O\n0.781444 0.930010 0.003880 O\n",
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}
]
}