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{
"id": "mp-9712",
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{
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{
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"created_at": "2022-09-04T14:40:31.993738Z",
"structure_string": "Y2 Cu6 S6\n1.0\n-0.000029 6.672752 -0.000267\n5.778615 3.336351 -0.000432\n3.852740 0.000235 -6.364466\nY Cu S\n2 6 6\ndirect\n0.000177 0.999642 0.000523 Y\n0.333156 0.333691 0.999477 Y\n0.451991 0.419856 0.370475 Cu\n0.790209 0.757805 0.370387 Cu\n0.128121 0.081708 0.370383 Cu\n0.205213 0.251626 0.629617 Cu\n0.543124 0.575528 0.629613 Cu\n0.881342 0.913477 0.629525 Cu\n0.249142 0.835648 0.747842 S\n0.915149 0.501265 0.747840 S\n0.583571 0.167244 0.747887 S\n0.749763 0.166090 0.252113 S\n0.418184 0.832068 0.252160 S\n0.084191 0.497685 0.252158 S\n",
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},
{
"id": "mp-1191242",
"created_at": "2022-09-04T14:40:31.963620Z",
"structure_string": "Na2 Cu3 Bi2 As2 O13\n1.0\n0.000000 5.227287 0.000000\n-4.505569 2.613643 2.124089\n4.454818 2.613643 11.575835\nNa Cu Bi As O\n2 3 2 2 13\ndirect\n0.931429 0.751666 0.575853 Na\n0.258948 0.248334 0.424147 Na\n0.995456 0.000000 0.000000 Cu\n0.699155 0.809415 0.831769 Cu\n0.340339 0.190585 0.168231 Cu\n0.342183 0.416196 0.897751 Bi\n0.656131 0.583804 0.102249 Bi\n0.115521 0.086912 0.716146 As\n0.918579 0.913088 0.283854 As\n0.920983 0.293063 0.823501 O\n0.037547 0.706937 0.176499 O\n0.065906 0.790170 0.743470 O\n0.599546 0.209830 0.256530 O\n0.013900 0.245178 0.596005 O\n0.855082 0.754822 0.403995 O\n0.490892 0.972737 0.711012 O\n0.174642 0.027263 0.288988 O\n0.098473 0.237144 0.060946 O\n0.396562 0.762856 0.939054 O\n0.588377 0.261127 0.043451 O\n0.892954 0.738873 0.956549 O\n0.467295 0.500000 0.500000 O\n",
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"formula_full": "Na2 Cu3 Bi2 As2 O13",
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{
"id": "mp-758082",
"created_at": "2022-09-04T14:40:31.964406Z",
"structure_string": "Ti3 Co1 Sn2 P6 O24\n1.0\n7.948888 -4.328985 0.000000\n7.948888 4.328985 0.000000\n5.591312 0.000000 7.117735\nTi Co Sn P O\n3 1 2 6 24\ndirect\n0.647897 0.647897 0.647897 Ti\n0.855349 0.855349 0.855349 Ti\n0.348515 0.348515 0.348515 Ti\n0.150040 0.150040 0.150040 Co\n0.012435 0.012435 0.012435 Sn\n0.497440 0.497440 0.497440 Sn\n0.958437 0.249109 0.537273 P\n0.537273 0.958437 0.249109 P\n0.249109 0.537273 0.958437 P\n0.746710 0.465950 0.037727 P\n0.465950 0.037727 0.746710 P\n0.037727 0.746710 0.465950 P\n0.502315 0.129228 0.284130 O\n0.284130 0.502315 0.129228 O\n0.129228 0.284130 0.502315 O\n0.935732 0.075571 0.721064 O\n0.979357 0.222290 0.375553 O\n0.777738 0.422016 0.574284 O\n0.721064 0.935732 0.075571 O\n0.574284 0.777738 0.422016 O\n0.787548 0.629353 0.003092 O\n0.422016 0.574284 0.777738 O\n0.916779 0.281385 0.056559 O\n0.629353 0.003092 0.787548 O\n0.375553 0.979357 0.222290 O\n0.075571 0.721064 0.935732 O\n0.571615 0.443798 0.221870 O\n0.222290 0.375553 0.979357 O\n0.443798 0.221870 0.571615 O\n0.281385 0.056559 0.916779 O\n0.221870 0.571615 0.443798 O\n0.003092 0.787548 0.629353 O\n0.056559 0.916779 0.281385 O\n0.875566 0.699872 0.506392 O\n0.699872 0.506392 0.875566 O\n0.506392 0.875566 0.699872 O\n",
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"density": 3.423045019260013,
"density_atomic": 0.07349168950910008,
"volume": 489.8513048273616,
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"formula_full": "Ti3 Co1 Sn2 P6 O24",
"formula_reduced": "Ti3CoSn2(PO4)6",
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"spacegroup": 146
},
{
"id": "mp-727231",
"created_at": "2022-09-04T14:40:31.966345Z",
"structure_string": "Cu4 S16 N4\n1.0\n5.226547 0.000000 0.000000\n0.000000 8.533808 0.000000\n0.000000 0.000000 12.526347\nCu S N\n4 16 4\ndirect\n0.977805 0.642273 0.069543 Cu\n0.522195 0.357727 0.569543 Cu\n0.477805 0.857727 0.930457 Cu\n0.022195 0.142273 0.430457 Cu\n0.623785 0.800039 0.099058 S\n0.876215 0.199961 0.599058 S\n0.123785 0.699961 0.900942 S\n0.376215 0.300039 0.400942 S\n0.366062 0.648343 0.161197 S\n0.133938 0.351657 0.661197 S\n0.866062 0.851657 0.838803 S\n0.633938 0.148343 0.338803 S\n0.456989 0.417385 0.098839 S\n0.043011 0.582615 0.598839 S\n0.956989 0.082615 0.901161 S\n0.543011 0.917385 0.401161 S\n0.833251 0.399515 0.097801 S\n0.666749 0.600485 0.597801 S\n0.333251 0.100485 0.902199 S\n0.166749 0.899515 0.402199 S\n0.844119 0.566328 0.339956 N\n0.655881 0.433672 0.839956 N\n0.344119 0.933672 0.660044 N\n0.155881 0.066328 0.160044 N\n",
"nsites": 24,
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],
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"density": 2.4468034995210775,
"density_atomic": 0.04295651849842684,
"volume": 558.7044955907899,
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"formula_full": "Cu4 S16 N4",
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{
"id": "mp-1097185",
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"structure_string": "Li1 Zn2 Co1\n1.0\n-5.068549 5.093245 7.310917\n5.068549 -5.093245 7.310917\n5.068549 5.093245 -7.310917\nLi Zn Co\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.259642 0.259642 Zn\n0.000000 0.740358 0.740358 Zn\n0.000000 0.500000 0.500000 Co\n",
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{
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"created_at": "2022-09-04T14:40:31.974492Z",
"structure_string": "Sm2 Ga5 Cu3\n1.0\n4.207446 0.000000 0.000000\n0.000000 4.207446 0.000000\n0.000000 0.000000 10.265520\nSm Ga Cu\n2 5 3\ndirect\n0.500000 0.000000 0.744197 Sm\n0.000000 0.500000 0.255803 Sm\n0.000000 0.500000 0.862871 Ga\n0.500000 0.000000 0.378469 Ga\n0.500000 0.000000 0.137129 Ga\n0.000000 0.500000 0.621531 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n",
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{
"id": "mp-765219",
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"structure_string": "Li10 V6 P16 O58\n1.0\n-9.760957 0.000000 0.000000\n4.859158 8.494844 0.000000\n-0.014473 -0.044132 -14.122690\nLi V P O\n10 6 16 58\ndirect\n0.766416 0.094894 0.443623 Li\n0.892737 0.645781 0.440597 Li\n0.763961 0.670937 0.940164 Li\n0.329909 0.094630 0.936447 Li\n0.322814 0.228182 0.437323 Li\n0.689731 0.919357 0.060887 Li\n0.330863 0.660810 0.895389 Li\n0.099468 0.331487 0.559572 Li\n0.042637 0.063205 0.002537 Li\n0.991878 0.950637 0.498532 Li\n0.561817 0.563083 0.747854 V\n0.435256 0.434841 0.254935 V\n0.562578 0.000963 0.251202 V\n0.433656 0.994785 0.746459 V\n0.993232 0.431681 0.754306 V\n0.000812 0.567093 0.241098 V\n0.918132 0.220354 0.160416 P\n0.776716 0.085293 0.660399 P\n0.913568 0.686630 0.654613 P\n0.660265 0.330601 0.870843 P\n0.675591 0.338198 0.369449 P\n0.769932 0.683990 0.155334 P\n0.696499 0.779537 0.338878 P\n0.312930 0.089475 0.156422 P\n0.686514 0.909519 0.844489 P\n0.313226 0.226315 0.654425 P\n0.217917 0.309917 0.836690 P\n0.327462 0.659022 0.633789 P\n0.336784 0.665840 0.133680 P\n0.086250 0.319910 0.344675 P\n0.213472 0.911310 0.336323 P\n0.085550 0.779523 0.837735 P\n0.999823 0.241322 0.434859 O\n0.921250 0.257645 0.667140 O\n0.769597 0.994462 0.932738 O\n0.744493 0.083918 0.163514 O\n0.922526 0.381946 0.169374 O\n0.810685 0.336710 0.822155 O\n0.918804 0.532074 0.674438 O\n0.984642 0.778705 0.916814 O\n0.917507 0.661907 0.161765 O\n0.677755 0.187936 0.333931 O\n0.622319 0.090575 0.670338 O\n0.812079 0.484043 0.314001 O\n0.667517 0.334344 0.975707 O\n0.711606 0.368004 0.473160 O\n0.658529 0.478931 0.830525 O\n0.469983 0.088411 0.173219 O\n0.514236 0.178514 0.830570 O\n0.747305 0.658659 0.668424 O\n0.790622 0.803069 0.240376 O\n0.804205 0.792524 0.418190 O\n0.771443 0.766699 0.065275 O\n0.620727 0.527227 0.172487 O\n0.514717 0.325267 0.340631 O\n0.662717 0.741136 0.842056 O\n0.470812 0.380170 0.668246 O\n0.334774 0.083551 0.665325 O\n0.793555 0.997768 0.752231 O\n0.792681 0.013308 0.570263 O\n0.190627 0.001375 0.415373 O\n0.659287 0.916766 0.340312 O\n0.542036 0.620307 0.331186 O\n0.342907 0.257355 0.176878 O\n0.478011 0.665700 0.678979 O\n0.369710 0.473103 0.833181 O\n0.209959 0.203824 0.914872 O\n0.229494 0.224044 0.563715 O\n0.196249 0.218612 0.738405 O\n0.254485 0.342591 0.345953 O\n0.489317 0.816230 0.169880 O\n0.520826 0.893795 0.829994 O\n0.329582 0.520505 0.180057 O\n0.333856 0.665719 0.027590 O\n0.315998 0.641616 0.529439 O\n0.182655 0.510470 0.680527 O\n0.374128 0.919434 0.331789 O\n0.329278 0.809488 0.675570 O\n0.076203 0.341345 0.838921 O\n0.994652 0.202775 0.258297 O\n0.003916 0.204733 0.078406 O\n0.088557 0.475669 0.324171 O\n0.188479 0.672556 0.175370 O\n0.095028 0.623507 0.828910 O\n0.256384 0.916948 0.843287 O\n0.239324 0.030710 0.061622 O\n0.191887 0.980671 0.236472 O\n0.074988 0.737706 0.335403 O\n0.983168 0.759117 0.561052 O\n0.021084 0.803397 0.737700 O\n",
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"formula_full": "Li10 V6 P16 O58",
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},
{
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"structure_string": "K3 Li2 Nb6 P3 O24\n1.0\n5.290722 -6.678429 0.000000\n5.290722 6.678429 0.000000\n-3.139395 0.000000 7.920691\nK Li Nb P O\n3 2 6 3 24\ndirect\n0.403158 0.088428 0.688339 K\n0.088428 0.688339 0.403158 K\n0.688339 0.403158 0.088428 K\n0.633739 0.633739 0.633739 Li\n0.366298 0.366298 0.366298 Li\n0.652968 0.844704 0.974712 Nb\n0.974712 0.652968 0.844704 Nb\n0.023809 0.154734 0.345455 Nb\n0.844704 0.974712 0.652968 Nb\n0.345455 0.023809 0.154734 Nb\n0.154734 0.345455 0.023809 Nb\n0.284410 0.500059 0.717806 P\n0.717806 0.284410 0.500059 P\n0.500059 0.717806 0.284410 P\n0.025583 0.500366 0.975904 O\n0.152869 0.846870 0.000130 O\n0.297421 0.416334 0.862749 O\n0.791701 0.683970 0.930358 O\n0.000130 0.152869 0.846870 O\n0.137808 0.581483 0.703212 O\n0.453430 0.636513 0.750878 O\n0.252145 0.363712 0.548110 O\n0.683970 0.930358 0.791701 O\n0.703212 0.137808 0.581483 O\n0.750878 0.453430 0.636513 O\n0.930358 0.791701 0.683970 O\n0.975904 0.025583 0.500366 O\n0.208894 0.070086 0.317475 O\n0.548110 0.252145 0.363712 O\n0.862749 0.297421 0.416334 O\n0.070086 0.317475 0.208894 O\n0.636513 0.750878 0.453430 O\n0.363712 0.548110 0.252145 O\n0.416334 0.862749 0.297421 O\n0.317475 0.208894 0.070086 O\n0.581483 0.703212 0.137808 O\n0.846870 0.000130 0.152869 O\n0.500366 0.975904 0.025583 O\n",
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"spacegroup": 146
},
{
"id": "mp-20376",
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"structure_string": "Ce2 B6 O12\n1.0\n4.099062 4.991524 0.000000\n-4.099062 4.991524 0.000000\n0.000000 3.957226 5.199206\nCe B O\n2 6 12\ndirect\n0.797798 0.202202 0.250000 Ce\n0.202202 0.797798 0.750000 Ce\n0.777983 0.222017 0.750000 B\n0.222017 0.777983 0.250000 B\n0.795096 0.658461 0.418023 B\n0.341539 0.204904 0.081977 B\n0.204904 0.341539 0.581977 B\n0.658461 0.795096 0.918023 B\n0.991238 0.219336 0.785623 O\n0.616076 0.788538 0.501021 O\n0.211462 0.383924 0.998979 O\n0.383924 0.211462 0.498979 O\n0.415876 0.788324 0.009729 O\n0.211676 0.584124 0.490271 O\n0.584124 0.211676 0.990271 O\n0.788324 0.415876 0.509729 O\n0.008762 0.780664 0.214377 O\n0.219336 0.991238 0.285623 O\n0.788538 0.616076 0.001021 O\n0.780664 0.008762 0.714377 O\n",
"nsites": 20,
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"density": 4.191911826825626,
"density_atomic": 0.09400378142160153,
"volume": 212.75739866571064,
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"formula_full": "Ce2 B6 O12",
"formula_reduced": "Ce(BO2)3",
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"updated_at": "2021-11-28T01:35:01.102000Z",
"spacegroup": 15
},
{
"id": "mp-777277",
"created_at": "2022-09-04T14:40:30.925728Z",
"structure_string": "Li8 Cr12 Cu4 O32\n1.0\n8.358021 0.000000 0.000000\n0.000000 8.314773 0.000000\n0.000000 0.004948 8.347295\nLi Cr Cu O\n8 12 4 32\ndirect\n0.001079 0.252905 0.498928 Li\n0.248930 0.497825 0.253337 Li\n0.748930 0.502175 0.746663 Li\n0.501079 0.747095 0.501072 Li\n0.998991 0.751998 0.003477 Li\n0.751162 0.997892 0.250900 Li\n0.251162 0.002108 0.749100 Li\n0.498991 0.248002 0.996523 Li\n0.627014 0.372933 0.375162 Cr\n0.874342 0.371374 0.125338 Cr\n0.123811 0.376023 0.878605 Cr\n0.623811 0.623977 0.121395 Cr\n0.374342 0.628626 0.874662 Cr\n0.127014 0.627067 0.624838 Cr\n0.377006 0.874639 0.128385 Cr\n0.125809 0.878606 0.376796 Cr\n0.875958 0.879309 0.625602 Cr\n0.375958 0.120691 0.374398 Cr\n0.625809 0.121394 0.623204 Cr\n0.877006 0.125361 0.871615 Cr\n0.374429 0.375468 0.625258 Cu\n0.874429 0.624532 0.374742 Cu\n0.624936 0.873566 0.875131 Cu\n0.124936 0.126434 0.124869 Cu\n0.387828 0.352251 0.382186 O\n0.615433 0.355595 0.615064 O\n0.885895 0.364541 0.888143 O\n0.862714 0.384131 0.360849 O\n0.103482 0.373275 0.114821 O\n0.641519 0.383455 0.135644 O\n0.364419 0.395818 0.865896 O\n0.128397 0.398906 0.639077 O\n0.628397 0.601094 0.360923 O\n0.864419 0.604182 0.134104 O\n0.141519 0.616545 0.864356 O\n0.603482 0.626725 0.885179 O\n0.362714 0.615869 0.639151 O\n0.385895 0.635459 0.111857 O\n0.115433 0.644405 0.384936 O\n0.887828 0.647749 0.617814 O\n0.613860 0.859038 0.117148 O\n0.380862 0.854758 0.891936 O\n0.115625 0.861487 0.612268 O\n0.137393 0.879840 0.148959 O\n0.890687 0.868664 0.396671 O\n0.363184 0.891547 0.370567 O\n0.642393 0.893674 0.628915 O\n0.866419 0.884597 0.854577 O\n0.366419 0.115403 0.145423 O\n0.142393 0.106326 0.371085 O\n0.863184 0.108453 0.629433 O\n0.390687 0.131336 0.603329 O\n0.637393 0.120160 0.851041 O\n0.615625 0.138513 0.387732 O\n0.880862 0.145242 0.108064 O\n0.113860 0.140962 0.882852 O\n",
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}
]
}