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{
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"results": [
{
"id": "mp-1173810",
"created_at": "2022-09-04T14:46:06.924396Z",
"structure_string": "Na2 La7 Ti8 Mn2 O30\n1.0\n-5.556239 0.000000 0.000000\n-0.066809 -7.838639 0.000000\n2.724838 3.858623 14.046719\nNa La Ti Mn O\n2 7 8 2 30\ndirect\n0.101567 0.349521 0.200740 Na\n0.498160 0.749606 0.998979 Na\n0.498345 0.245826 0.997858 La\n0.098517 0.850343 0.196529 La\n0.701145 0.451232 0.401447 La\n0.898533 0.655304 0.806649 La\n0.698482 0.951233 0.400097 La\n0.299539 0.552446 0.603227 La\n0.899320 0.150299 0.796305 La\n0.004989 0.997366 0.003732 Ti\n0.589200 0.596279 0.198196 Ti\n0.205393 0.199019 0.402654 Ti\n0.997892 0.498357 0.005729 Ti\n0.798794 0.805900 0.603218 Ti\n0.609664 0.104712 0.199213 Ti\n0.397380 0.398892 0.798609 Ti\n0.196801 0.703073 0.402864 Ti\n0.801819 0.290402 0.599095 Mn\n0.401101 0.900812 0.801789 Mn\n0.325025 0.574978 0.090298 O\n0.016137 0.266888 0.025973 O\n0.921100 0.158009 0.280227 O\n0.836346 0.589390 0.112928 O\n0.764809 0.017420 0.087112 O\n0.589995 0.339722 0.176294 O\n0.612528 0.862065 0.224346 O\n0.522923 0.756235 0.479608 O\n0.443834 0.175247 0.309233 O\n0.368134 0.623032 0.286610 O\n0.279380 0.025649 0.110800 O\n0.186264 0.934234 0.370947 O\n0.208753 0.460306 0.417900 O\n0.127917 0.401261 0.701883 O\n0.022102 0.765527 0.502957 O\n0.945297 0.218907 0.469546 O\n0.869935 0.637450 0.312172 O\n0.784377 0.539912 0.569233 O\n0.805513 0.045606 0.623475 O\n0.744085 0.984965 0.891071 O\n0.639401 0.394223 0.723742 O\n0.578031 0.792002 0.690192 O\n0.466193 0.231376 0.499201 O\n0.395225 0.145899 0.790659 O\n0.415647 0.669235 0.827408 O\n0.226236 0.998132 0.913234 O\n0.161953 0.414696 0.892183 O\n0.065882 0.810181 0.707845 O\n0.992783 0.742701 0.980699 O\n0.687555 0.424132 0.915299 O\n",
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"La",
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],
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"volume": 611.7816931010409,
"volume_molar": 7.518847898460385,
"formula_full": "Na2 La7 Ti8 Mn2 O30",
"formula_reduced": "Na2La7Ti8Mn2O30",
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"updated_at": "2021-11-28T01:37:22.350000Z",
"spacegroup": 1
},
{
"id": "mp-28675",
"created_at": "2022-09-04T14:46:55.821597Z",
"structure_string": "Ba2 Nb15 O32\n1.0\n12.298006 -3.949517 0.000000\n12.298006 3.949517 0.000000\n11.029615 0.000000 6.722146\nBa Nb O\n2 15 32\ndirect\n0.638625 0.638625 0.638625 Ba\n0.361375 0.361375 0.361375 Ba\n0.860776 0.860776 0.860776 Nb\n0.139224 0.139224 0.139224 Nb\n0.726332 0.556358 0.315928 Nb\n0.315928 0.726332 0.556358 Nb\n0.556358 0.315928 0.726332 Nb\n0.273668 0.443642 0.684072 Nb\n0.684072 0.273668 0.443642 Nb\n0.443642 0.684072 0.273668 Nb\n0.921569 0.810677 0.469316 Nb\n0.469316 0.921569 0.810677 Nb\n0.810677 0.469316 0.921569 Nb\n0.078431 0.189323 0.530684 Nb\n0.530684 0.078431 0.189323 Nb\n0.189323 0.530684 0.078431 Nb\n0.000000 0.000000 0.000000 Nb\n0.956365 0.184327 0.763693 O\n0.763693 0.956365 0.184327 O\n0.184327 0.763693 0.956365 O\n0.043635 0.815673 0.236307 O\n0.236307 0.043635 0.815673 O\n0.815673 0.236307 0.043635 O\n0.470268 0.352393 0.057378 O\n0.057378 0.470268 0.352393 O\n0.352393 0.057378 0.470268 O\n0.529732 0.647607 0.942622 O\n0.942622 0.529732 0.647607 O\n0.647607 0.942622 0.529732 O\n0.069600 0.958320 0.659609 O\n0.659609 0.069600 0.958320 O\n0.958320 0.659609 0.069600 O\n0.930400 0.041680 0.340391 O\n0.340391 0.930400 0.041680 O\n0.537084 0.800726 0.366291 O\n0.800726 0.366291 0.537084 O\n0.366291 0.537084 0.800726 O\n0.462916 0.199274 0.633709 O\n0.199274 0.633709 0.462916 O\n0.633709 0.462916 0.199274 O\n0.762738 0.073058 0.663369 O\n0.073058 0.663369 0.762738 O\n0.663369 0.762738 0.073058 O\n0.237262 0.926942 0.336631 O\n0.926942 0.336631 0.237262 O\n0.336631 0.237262 0.926942 O\n0.238094 0.238094 0.238094 O\n0.761906 0.761906 0.761906 O\n0.041680 0.340391 0.930400 O\n",
"nsites": 49,
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"elements": [
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],
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"formula_full": "Ba2 Nb15 O32",
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"energy": -460.20748168000006,
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"updated_at": "2021-11-28T01:37:51.869000Z",
"spacegroup": 148
},
{
"id": "mp-1195805",
"created_at": "2022-09-04T14:46:56.874782Z",
"structure_string": "Ga41 Mo8\n1.0\n6.496287 -7.074050 0.000000\n6.496287 7.074050 0.000000\n-1.206912 0.000000 9.528237\nGa Mo\n41 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.265869 0.634177 0.611141 Ga\n0.611141 0.265869 0.634177 Ga\n0.634177 0.611141 0.265869 Ga\n0.734131 0.365823 0.388859 Ga\n0.388859 0.734131 0.365823 Ga\n0.365823 0.388859 0.734131 Ga\n0.675226 0.778550 0.538743 Ga\n0.538743 0.675226 0.778550 Ga\n0.778550 0.538743 0.675226 Ga\n0.324774 0.221450 0.461257 Ga\n0.461257 0.324774 0.221450 Ga\n0.221450 0.461257 0.324774 Ga\n0.778064 0.074541 0.449247 Ga\n0.449247 0.778064 0.074541 Ga\n0.074541 0.449247 0.778064 Ga\n0.221936 0.925459 0.550753 Ga\n0.550753 0.221936 0.925459 Ga\n0.925459 0.550753 0.221936 Ga\n0.968668 0.786547 0.598910 Ga\n0.598910 0.968668 0.786547 Ga\n0.786547 0.598910 0.968668 Ga\n0.031332 0.213453 0.401090 Ga\n0.401090 0.031332 0.213453 Ga\n0.213453 0.401090 0.031332 Ga\n0.057068 0.739056 0.873813 Ga\n0.873813 0.057068 0.739056 Ga\n0.739056 0.873813 0.057068 Ga\n0.942932 0.260944 0.126187 Ga\n0.126187 0.942932 0.260944 Ga\n0.260944 0.126187 0.942932 Ga\n0.124417 0.176145 0.679311 Ga\n0.679311 0.124417 0.176145 Ga\n0.176145 0.679311 0.124417 Ga\n0.875583 0.823855 0.320689 Ga\n0.320689 0.875583 0.823855 Ga\n0.823855 0.320689 0.875583 Ga\n0.801685 0.801685 0.801685 Mo\n0.198315 0.198315 0.198315 Mo\n0.292500 0.612455 0.887449 Mo\n0.887449 0.292500 0.612455 Mo\n0.612455 0.887449 0.292500 Mo\n0.707500 0.387545 0.112551 Mo\n0.112551 0.707500 0.387545 Mo\n0.387545 0.112551 0.707500 Mo\n",
"nsites": 49,
"nelements": 2,
"elements": [
"Ga",
"Mo"
],
"chemical_system": "Ga-Mo",
"density": 6.875757393531337,
"density_atomic": 0.055952591337414245,
"volume": 875.7413879995723,
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"formula_full": "Ga41 Mo8",
"formula_reduced": "Ga41Mo8",
"formula_anonymous": "A8B41",
"energy": -217.45050782,
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"updated_at": "2021-11-28T01:37:51.777000Z",
"spacegroup": 148
},
{
"id": "mp-1204805",
"created_at": "2022-09-04T14:46:18.806659Z",
"structure_string": "Ga40 Ge1 Mo8\n1.0\n6.559405 -7.034530 0.000000\n6.559405 7.034530 0.000000\n-0.984666 0.000000 9.567697\nGa Ge Mo\n40 1 8\ndirect\n0.500000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.365776 0.733500 0.389842 Ga\n0.733500 0.389842 0.365776 Ga\n0.389842 0.365776 0.733500 Ga\n0.634224 0.266500 0.610158 Ga\n0.266500 0.610158 0.634224 Ga\n0.610158 0.634224 0.266500 Ga\n0.221566 0.326276 0.468539 Ga\n0.326276 0.468539 0.221566 Ga\n0.468539 0.221566 0.326276 Ga\n0.778434 0.673724 0.531461 Ga\n0.673724 0.531461 0.778434 Ga\n0.531461 0.778434 0.673724 Ga\n0.925221 0.222097 0.550993 Ga\n0.222097 0.550993 0.925221 Ga\n0.550993 0.925221 0.222097 Ga\n0.074779 0.777903 0.449007 Ga\n0.777903 0.449007 0.074779 Ga\n0.449007 0.074779 0.777903 Ga\n0.214941 0.033693 0.401370 Ga\n0.033693 0.401370 0.214941 Ga\n0.401370 0.214941 0.033693 Ga\n0.785059 0.966307 0.598630 Ga\n0.966307 0.598630 0.785059 Ga\n0.598630 0.785059 0.966307 Ga\n0.255655 0.950657 0.125868 Ga\n0.950657 0.125868 0.255655 Ga\n0.125868 0.255655 0.950657 Ga\n0.744345 0.049343 0.874132 Ga\n0.049343 0.874132 0.744345 Ga\n0.874132 0.744345 0.049343 Ga\n0.825070 0.875161 0.317036 Ga\n0.875161 0.317036 0.825070 Ga\n0.317036 0.825070 0.875161 Ga\n0.174930 0.124839 0.682964 Ga\n0.124839 0.682964 0.174930 Ga\n0.682964 0.174930 0.124839 Ga\n0.000000 0.000000 0.000000 Ge\n0.212721 0.212721 0.212721 Mo\n0.787279 0.787279 0.787279 Mo\n0.387115 0.712978 0.110819 Mo\n0.712978 0.110819 0.387115 Mo\n0.110819 0.387115 0.712978 Mo\n0.612885 0.287022 0.889181 Mo\n0.287022 0.889181 0.612885 Mo\n0.889181 0.612885 0.287022 Mo\n",
"nsites": 49,
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],
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"volume": 882.9516886362422,
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"formula_full": "Ga40 Ge1 Mo8",
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},
{
"id": "mp-1214578",
"created_at": "2022-09-04T14:46:20.447813Z",
"structure_string": "Ba1 Na4 Ti2 Si12 O30\n1.0\n8.722646 5.101972 0.000000\n-8.722646 5.101972 0.000000\n0.000000 0.485637 7.369076\nBa Na Ti Si O\n1 4 2 12 30\ndirect\n0.500000 0.500000 0.500000 Ba\n0.767247 0.232753 0.000000 Na\n0.232753 0.767247 0.000000 Na\n0.775636 0.775636 0.015810 Na\n0.224364 0.224364 0.984190 Na\n0.583629 0.416371 0.000000 Ti\n0.416371 0.583629 0.000000 Ti\n0.426070 0.085664 0.263817 Si\n0.573930 0.914336 0.736183 Si\n0.914336 0.573930 0.736183 Si\n0.085664 0.426070 0.263817 Si\n0.563577 0.872232 0.313341 Si\n0.436423 0.127768 0.686659 Si\n0.127768 0.436423 0.686659 Si\n0.872232 0.563577 0.313341 Si\n0.906039 0.080183 0.283859 Si\n0.093961 0.919817 0.716141 Si\n0.919817 0.093961 0.716141 Si\n0.080183 0.906039 0.283859 Si\n0.917415 0.082585 0.500000 O\n0.082585 0.917415 0.500000 O\n0.550387 0.210161 0.124275 O\n0.449613 0.789839 0.875725 O\n0.789839 0.449613 0.875725 O\n0.210161 0.550387 0.124275 O\n0.731730 0.020036 0.230363 O\n0.268270 0.979964 0.769637 O\n0.979964 0.268270 0.769637 O\n0.020036 0.731730 0.230363 O\n0.534437 0.719820 0.223513 O\n0.465563 0.280180 0.776487 O\n0.280180 0.465563 0.776487 O\n0.719820 0.534437 0.223513 O\n0.437794 0.928378 0.286763 O\n0.562206 0.071622 0.713237 O\n0.071622 0.562206 0.713237 O\n0.928378 0.437794 0.286763 O\n0.578444 0.850870 0.533898 O\n0.421556 0.149130 0.466102 O\n0.149130 0.421556 0.466102 O\n0.850870 0.578444 0.533898 O\n0.248711 0.018898 0.188863 O\n0.751289 0.981102 0.811137 O\n0.981102 0.751289 0.811137 O\n0.018898 0.248711 0.188863 O\n0.409530 0.409530 0.127896 O\n0.590470 0.590470 0.872104 O\n0.962927 0.962927 0.207205 O\n0.037073 0.037073 0.792795 O\n",
"nsites": 49,
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"elements": [
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"density": 2.8913224560686057,
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"volume": 655.887493016047,
"volume_molar": 8.06091184829827,
"formula_full": "Ba1 Na4 Ti2 Si12 O30",
"formula_reduced": "BaNa4Ti2(Si2O5)6",
"formula_anonymous": "AB2C4D12E30",
"energy": -389.20966143,
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"updated_at": "2021-11-28T01:37:24.075000Z",
"spacegroup": 12
},
{
"id": "mp-780233",
"created_at": "2022-09-04T14:39:48.059650Z",
"structure_string": "Li7 Ti14 O28\n1.0\n-7.866256 0.000000 0.000000\n3.928237 6.838891 0.000000\n-0.507050 -1.664522 -10.507058\nLi Ti O\n7 14 28\ndirect\n0.042563 0.182388 0.781304 Li\n0.319879 0.612243 0.777599 Li\n0.606869 0.053123 0.781203 Li\n0.745780 0.545313 0.737429 Li\n0.251932 0.249999 0.221152 Li\n0.589699 0.960071 0.263916 Li\n0.959807 0.805743 0.221001 Li\n0.227257 0.080522 0.504114 Ti\n0.055321 0.349578 0.496306 Ti\n0.351679 0.780117 0.496883 Ti\n0.644053 0.217563 0.503163 Ti\n0.930124 0.643697 0.495747 Ti\n0.501062 0.504066 0.495417 Ti\n0.786963 0.921481 0.504482 Ti\n0.146783 0.720212 0.995342 Ti\n0.417760 0.132251 0.996358 Ti\n0.700087 0.560094 0.006648 Ti\n0.288763 0.436729 0.007783 Ti\n0.585557 0.857270 0.994984 Ti\n0.861700 0.298345 0.017469 Ti\n0.990517 0.989756 0.991540 Ti\n0.229155 0.168575 0.899299 O\n0.093276 0.448427 0.898733 O\n0.381893 0.875545 0.888615 O\n0.662553 0.304932 0.903130 O\n0.933636 0.727108 0.899220 O\n0.516028 0.591334 0.894481 O\n0.808633 0.039363 0.892719 O\n0.172509 0.856974 0.592972 O\n0.461920 0.293847 0.601688 O\n0.742830 0.707361 0.603678 O\n0.031940 0.146356 0.601034 O\n0.316388 0.572089 0.597550 O\n0.600000 0.999968 0.601598 O\n0.883730 0.432769 0.604289 O\n0.117100 0.571732 0.402829 O\n0.405803 0.000126 0.399854 O\n0.685850 0.430099 0.403625 O\n0.971864 0.860923 0.400493 O\n0.253915 0.282495 0.400565 O\n0.544665 0.724581 0.400494 O\n0.821044 0.135821 0.399375 O\n0.187449 0.977241 0.103398 O\n0.471037 0.391886 0.104493 O\n0.057132 0.258221 0.101775 O\n0.346863 0.698540 0.094959 O\n0.624156 0.111359 0.098771 O\n0.916905 0.559975 0.103645 O\n0.770221 0.832309 0.105997 O\n",
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"volume": 565.2426027686497,
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"formula_full": "Li7 Ti14 O28",
"formula_reduced": "LiTi2O4",
"formula_anonymous": "AB2C4",
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},
{
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