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{
"id": "mp-1043568",
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"structure_string": "Ta4 P4 O20\n1.0\n0.000000 6.157914 8.375183\n3.581515 0.000000 8.375183\n3.581515 6.157914 0.000000\nTa P O\n4 4 20\ndirect\n0.875002 0.379638 0.382966 Ta\n0.362393 0.382966 0.379638 Ta\n0.870362 0.374998 0.887607 Ta\n0.867034 0.887607 0.374998 Ta\n0.029104 0.541613 0.969364 P\n0.708387 0.220896 0.790080 P\n0.459920 0.969364 0.541613 P\n0.280636 0.790080 0.220896 P\n0.601489 0.721985 0.441949 O\n0.659502 0.177365 0.332053 O\n0.308653 0.648412 0.391752 O\n0.808051 0.015422 0.648511 O\n0.216121 0.103536 0.750122 O\n0.423636 0.112887 0.371320 O\n0.072635 0.590498 0.418920 O\n0.831080 0.332053 0.177365 O\n0.917947 0.418920 0.590498 O\n0.146464 0.033879 0.319779 O\n0.234578 0.441949 0.721985 O\n0.499878 0.319779 0.033879 O\n0.930221 0.750122 0.103536 O\n0.137113 0.826364 0.157842 O\n0.092158 0.371320 0.112887 O\n0.878680 0.157842 0.826364 O\n0.858248 0.598817 0.941347 O\n0.651183 0.391752 0.648412 O\n0.528015 0.648511 0.015422 O\n0.601588 0.941347 0.598817 O\n",
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{
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"structure_string": "Sr4 Cu4 W2 O14\n1.0\n13.067256 3.739112 0.000000\n-13.067256 3.739112 0.000000\n0.000000 3.676236 3.772520\nSr Cu W O\n4 4 2 14\ndirect\n0.385087 0.154964 0.972542 Sr\n0.650852 0.882015 0.991608 Sr\n0.882015 0.650852 0.991608 Sr\n0.154964 0.385087 0.972542 Sr\n0.961075 0.582243 0.480369 Cu\n0.075700 0.454627 0.482526 Cu\n0.454627 0.075700 0.482526 Cu\n0.582243 0.961075 0.480369 Cu\n0.194695 0.194695 0.443648 W\n0.763795 0.763795 0.584305 W\n0.378250 0.378250 0.947198 O\n0.828373 0.828373 0.895117 O\n0.695729 0.345993 0.479227 O\n0.840884 0.191146 0.983647 O\n0.191146 0.840884 0.983647 O\n0.345993 0.695729 0.479227 O\n0.194697 0.848496 0.478467 O\n0.341889 0.688551 0.984264 O\n0.688551 0.341889 0.984264 O\n0.848496 0.194697 0.478467 O\n0.331318 0.199384 0.480440 O\n0.718579 0.853006 0.449638 O\n0.853006 0.718579 0.449638 O\n0.199384 0.331318 0.480440 O\n",
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],
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"volume": 368.6501542896389,
"volume_molar": 9.250263001366347,
"formula_full": "Sr4 Cu4 W2 O14",
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},
{
"id": "mp-1043566",
"created_at": "2022-09-04T14:39:25.065145Z",
"structure_string": "Ca2 Sn4 P4 O20\n1.0\n0.000000 5.980438 8.352329\n3.790870 0.000000 8.352329\n3.790870 5.980438 0.000000\nCa Sn P O\n2 4 4 20\ndirect\n0.000022 0.499978 0.499978 Ca\n0.750022 0.249978 0.249978 Ca\n0.379729 0.874006 0.362949 Sn\n0.383316 0.362949 0.874006 Sn\n0.375994 0.870271 0.866684 Sn\n0.887051 0.866684 0.870271 Sn\n0.548504 0.039269 0.450881 P\n0.210731 0.701496 0.288655 P\n0.961345 0.450881 0.039269 P\n0.799119 0.288655 0.701496 P\n0.730796 0.570820 0.244504 O\n0.183607 0.660265 0.825455 O\n0.664477 0.310985 0.629445 O\n0.005496 0.796120 0.519204 O\n0.072336 0.224516 0.947057 O\n0.098553 0.421617 0.114050 O\n0.589735 0.066393 0.919327 O\n0.330673 0.825455 0.660265 O\n0.424545 0.919327 0.066393 O\n0.025484 0.177664 0.493909 O\n0.453880 0.244504 0.570820 O\n0.302943 0.493909 0.177664 O\n0.756091 0.947057 0.224516 O\n0.828383 0.151447 0.884220 O\n0.365780 0.114050 0.421617 O\n0.135950 0.884220 0.151447 O\n0.620555 0.854908 0.585523 O\n0.395092 0.629445 0.310985 O\n0.679180 0.519204 0.796120 O\n0.939015 0.585523 0.854908 O\n",
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],
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"volume": 378.71235392916094,
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"formula_full": "Ca2 Sn4 P4 O20",
"formula_reduced": "CaSn2(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy": -218.55330552,
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},
{
"id": "mp-1043564",
"created_at": "2022-09-04T14:48:29.149408Z",
"structure_string": "Mg2 Co6 P8 O28\n1.0\n7.544760 0.000000 0.000000\n0.000000 7.315089 0.000000\n0.000000 3.583583 8.884508\nMg Co P O\n2 6 8 28\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.128860 0.812850 0.521908 Co\n0.628860 0.187150 0.978092 Co\n0.871140 0.187150 0.478092 Co\n0.371140 0.812850 0.021908 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.926393 0.412281 0.705142 P\n0.426393 0.587719 0.794858 P\n0.073607 0.587719 0.294858 P\n0.573607 0.412281 0.205142 P\n0.207329 0.131208 0.687698 P\n0.707329 0.868792 0.812302 P\n0.792671 0.868792 0.312302 P\n0.292671 0.131208 0.187698 P\n0.383102 0.194030 0.602123 O\n0.883102 0.805970 0.897877 O\n0.616898 0.805970 0.397877 O\n0.116898 0.194030 0.102123 O\n0.384382 0.711247 0.625420 O\n0.884382 0.288753 0.874580 O\n0.615618 0.288753 0.374580 O\n0.115618 0.711247 0.125420 O\n0.790742 0.384541 0.596622 O\n0.290742 0.615459 0.903378 O\n0.209258 0.615459 0.403378 O\n0.709258 0.384541 0.096622 O\n0.114778 0.334379 0.671473 O\n0.614778 0.665621 0.828527 O\n0.885222 0.665621 0.328527 O\n0.385222 0.334379 0.171473 O\n0.527288 0.621098 0.190099 O\n0.027288 0.378902 0.309901 O\n0.472712 0.378902 0.809901 O\n0.972712 0.621098 0.690099 O\n0.785039 0.983474 0.141315 O\n0.285039 0.016526 0.358685 O\n0.214961 0.016526 0.858685 O\n0.714961 0.983474 0.641315 O\n0.414275 0.032120 0.109163 O\n0.914275 0.967880 0.390837 O\n0.585725 0.967880 0.890837 O\n0.085725 0.032120 0.609163 O\n",
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"density": 3.7183141195060854,
"density_atomic": 0.08973342613589358,
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"formula_full": "Mg2 Co6 P8 O28",
"formula_reduced": "MgCo3(P2O7)2",
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},
{
"id": "mp-1043556",
"created_at": "2022-09-04T14:42:48.714304Z",
"structure_string": "Sb4 P4 O20\n1.0\n0.000000 5.954423 8.347193\n3.578941 0.000000 8.347193\n3.578941 5.954423 0.000000\nSb P O\n4 4 20\ndirect\n0.873221 0.378963 0.381277 Sb\n0.366539 0.381277 0.378963 Sb\n0.871037 0.376779 0.883461 Sb\n0.868723 0.883461 0.376779 Sb\n0.029425 0.541320 0.969576 P\n0.708680 0.220575 0.790321 P\n0.459679 0.969576 0.541320 P\n0.280424 0.790321 0.220575 P\n0.593806 0.728376 0.433925 O\n0.666191 0.182405 0.327693 O\n0.311425 0.646795 0.398825 O\n0.816075 0.006107 0.656194 O\n0.221483 0.097573 0.758616 O\n0.421127 0.115354 0.364261 O\n0.067595 0.583809 0.426289 O\n0.823711 0.327693 0.182405 O\n0.922307 0.426289 0.583809 O\n0.152427 0.028517 0.327672 O\n0.243893 0.433925 0.728376 O\n0.491384 0.327672 0.028517 O\n0.922328 0.758616 0.097573 O\n0.134646 0.828873 0.150743 O\n0.099257 0.364261 0.115354 O\n0.885739 0.150743 0.828873 O\n0.851175 0.607046 0.938575 O\n0.642954 0.398825 0.646795 O\n0.521624 0.656194 0.006107 O\n0.603205 0.938575 0.607046 O\n",
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{
"id": "mp-1043551",
"created_at": "2022-09-04T14:48:19.050463Z",
"structure_string": "Ca4 Ni4 Sb4 P8 O36\n1.0\n6.678759 0.000000 0.000000\n0.000000 7.409283 0.000000\n0.000000 0.000000 14.703226\nCa Ni Sb P O\n4 4 4 8 36\ndirect\n0.250000 0.398055 0.793106 Ca\n0.250000 0.101945 0.293106 Ca\n0.750000 0.601945 0.206894 Ca\n0.750000 0.898055 0.706894 Ca\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.250000 0.855460 0.880596 Sb\n0.750000 0.144540 0.119404 Sb\n0.750000 0.355460 0.619404 Sb\n0.250000 0.644540 0.380596 Sb\n0.750000 0.857923 0.925703 P\n0.250000 0.142077 0.074297 P\n0.250000 0.357923 0.574297 P\n0.750000 0.642077 0.425703 P\n0.250000 0.888925 0.684307 P\n0.750000 0.111075 0.315693 P\n0.750000 0.388925 0.815693 P\n0.250000 0.611075 0.184307 P\n0.556451 0.113738 0.372672 O\n0.056451 0.886262 0.627328 O\n0.443549 0.613738 0.127328 O\n0.943549 0.386262 0.872672 O\n0.443549 0.886262 0.627328 O\n0.943549 0.113738 0.372672 O\n0.556451 0.386262 0.872672 O\n0.056451 0.613738 0.127328 O\n0.750000 0.817519 0.481417 O\n0.250000 0.182481 0.518583 O\n0.250000 0.317519 0.018583 O\n0.750000 0.682481 0.981417 O\n0.250000 0.614030 0.933832 O\n0.750000 0.385970 0.066168 O\n0.750000 0.114030 0.566168 O\n0.250000 0.885970 0.433832 O\n0.250000 0.718641 0.750246 O\n0.750000 0.281359 0.249754 O\n0.750000 0.218641 0.749754 O\n0.250000 0.781359 0.250246 O\n0.930514 0.634050 0.357847 O\n0.430514 0.365950 0.642153 O\n0.069486 0.134050 0.142153 O\n0.569486 0.865950 0.857847 O\n0.069486 0.365950 0.642153 O\n0.569486 0.634050 0.357847 O\n0.930514 0.865950 0.857847 O\n0.430514 0.134050 0.142153 O\n0.250000 0.449863 0.254682 O\n0.750000 0.550137 0.745318 O\n0.750000 0.949863 0.245318 O\n0.250000 0.050137 0.754682 O\n0.250000 0.528566 0.514853 O\n0.750000 0.471434 0.485147 O\n0.750000 0.028566 0.985147 O\n0.250000 0.971434 0.014853 O\n",
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"formula_full": "Ca4 Ni4 Sb4 P8 O36",
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{
"id": "mp-1043550",
"created_at": "2022-09-04T14:39:27.356169Z",
"structure_string": "Mg4 Si16 W4 O40\n1.0\n7.452853 0.000000 0.000000\n0.000000 7.452853 0.000000\n0.000000 0.000000 15.011017\nMg Si W O\n4 16 4 40\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.152622 0.241406 0.646730 Si\n0.847378 0.758594 0.646730 Si\n0.241406 0.152622 0.853270 Si\n0.741406 0.347378 0.646730 Si\n0.258594 0.652622 0.646730 Si\n0.347378 0.741406 0.853270 Si\n0.652622 0.258594 0.853270 Si\n0.758594 0.847378 0.853270 Si\n0.347378 0.258594 0.353270 Si\n0.652622 0.741406 0.353270 Si\n0.258594 0.347378 0.146730 Si\n0.758594 0.152622 0.353270 Si\n0.241406 0.847378 0.353270 Si\n0.152622 0.758594 0.146730 Si\n0.847378 0.241406 0.146730 Si\n0.741406 0.652622 0.146730 Si\n0.500000 0.000000 0.573950 W\n0.000000 0.500000 0.926050 W\n0.000000 0.500000 0.426050 W\n0.500000 0.000000 0.073950 W\n0.218345 0.091465 0.575409 O\n0.781655 0.908535 0.575409 O\n0.091465 0.218345 0.924591 O\n0.591465 0.281655 0.575409 O\n0.408535 0.718345 0.575409 O\n0.281655 0.591465 0.924591 O\n0.718345 0.408535 0.924591 O\n0.908535 0.781655 0.924591 O\n0.281655 0.408535 0.424591 O\n0.718345 0.591465 0.424591 O\n0.408535 0.281655 0.075409 O\n0.908535 0.218345 0.424591 O\n0.091465 0.781655 0.424591 O\n0.218345 0.908535 0.075409 O\n0.781655 0.091465 0.075409 O\n0.255954 0.063279 0.371236 O\n0.591465 0.718345 0.075409 O\n0.755954 0.563279 0.628764 O\n0.436721 0.244046 0.871236 O\n0.936721 0.255954 0.628764 O\n0.063279 0.744046 0.628764 O\n0.255954 0.936721 0.871236 O\n0.744046 0.063279 0.871236 O\n0.563279 0.755954 0.871236 O\n0.688447 0.688447 0.250000 O\n0.811553 0.188447 0.250000 O\n0.188447 0.811553 0.250000 O\n0.311553 0.311553 0.250000 O\n0.811553 0.811553 0.750000 O\n0.688447 0.311553 0.750000 O\n0.311553 0.688447 0.750000 O\n0.188447 0.188447 0.750000 O\n0.936721 0.744046 0.128764 O\n0.755954 0.436721 0.128764 O\n0.244046 0.563279 0.128764 O\n0.436721 0.755954 0.371236 O\n0.563279 0.244046 0.371236 O\n0.063279 0.255954 0.128764 O\n0.744046 0.936721 0.371236 O\n0.244046 0.436721 0.628764 O\n",
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"formula_full": "Mg4 Si16 W4 O40",
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},
{
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