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{
"id": "mp-1223835",
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{
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{
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{
"id": "mp-581814",
"created_at": "2022-09-04T14:46:38.095266Z",
"structure_string": "Ca42 Mn8 Bi36\n1.0\n8.802649 8.775869 0.000000\n-8.802649 8.775869 0.000000\n0.000000 0.764153 17.204493\nCa Mn Bi\n42 8 36\ndirect\n0.242010 0.480772 0.433387 Ca\n0.232090 0.407568 0.655794 Ca\n0.089928 0.578866 0.240401 Ca\n0.939341 0.684770 0.882387 Ca\n0.251390 0.736408 0.579189 Ca\n0.256364 0.079305 0.840613 Ca\n0.592432 0.767910 0.844206 Ca\n0.736408 0.251390 0.079189 Ca\n0.407568 0.232090 0.155794 Ca\n0.486817 0.316469 0.564609 Ca\n0.920695 0.743636 0.659387 Ca\n0.428419 0.571581 0.250000 Ca\n0.422729 0.188740 0.378199 Ca\n0.578866 0.089928 0.740401 Ca\n0.266462 0.997909 0.062312 Ca\n0.421134 0.910072 0.259599 Ca\n0.002091 0.733538 0.437688 Ca\n0.811260 0.577271 0.121801 Ca\n0.004945 0.823261 0.073194 Ca\n0.577271 0.811260 0.621801 Ca\n0.513183 0.683531 0.435391 Ca\n0.263592 0.748610 0.920811 Ca\n0.188740 0.422729 0.878199 Ca\n0.060659 0.315230 0.117613 Ca\n0.315230 0.060659 0.617613 Ca\n0.997909 0.266462 0.562312 Ca\n0.571581 0.428419 0.750000 Ca\n0.519228 0.757990 0.066613 Ca\n0.176739 0.995055 0.426806 Ca\n0.757990 0.519228 0.566613 Ca\n0.748610 0.263592 0.420811 Ca\n0.995055 0.176739 0.926806 Ca\n0.683531 0.513183 0.935391 Ca\n0.079305 0.256364 0.340613 Ca\n0.684770 0.939341 0.382387 Ca\n0.823261 0.004945 0.573194 Ca\n0.480772 0.242010 0.933387 Ca\n0.743636 0.920695 0.159387 Ca\n0.733538 0.002091 0.937688 Ca\n0.316469 0.486817 0.064609 Ca\n0.910072 0.421134 0.759599 Ca\n0.767910 0.592432 0.344206 Ca\n0.360383 0.639617 0.750000 Mn\n0.639617 0.360383 0.250000 Mn\n0.998974 0.001026 0.750000 Mn\n0.841913 0.158087 0.750000 Mn\n0.153792 0.846208 0.750000 Mn\n0.846208 0.153792 0.250000 Mn\n0.001026 0.998974 0.250000 Mn\n0.158087 0.841913 0.250000 Mn\n0.242713 0.239316 0.000207 Bi\n0.080154 0.578637 0.036787 Bi\n0.079569 0.933557 0.599365 Bi\n0.745910 0.271845 0.625112 Bi\n0.920431 0.066443 0.400635 Bi\n0.578637 0.080154 0.536787 Bi\n0.239316 0.242713 0.500207 Bi\n0.919846 0.421363 0.963213 Bi\n0.220730 0.071628 0.245639 Bi\n0.779270 0.928372 0.754361 Bi\n0.040057 0.539546 0.579604 Bi\n0.728155 0.254090 0.874888 Bi\n0.071628 0.220730 0.745639 Bi\n0.610337 0.744430 0.253022 Bi\n0.255570 0.389663 0.246978 Bi\n0.539546 0.040057 0.079604 Bi\n0.254090 0.728155 0.374888 Bi\n0.760684 0.757287 0.499793 Bi\n0.460454 0.959943 0.920396 Bi\n0.447786 0.566515 0.604912 Bi\n0.382177 0.869778 0.741409 Bi\n0.928372 0.779270 0.254361 Bi\n0.933557 0.079569 0.099365 Bi\n0.959943 0.460454 0.420396 Bi\n0.433485 0.552214 0.895088 Bi\n0.757287 0.760684 0.999793 Bi\n0.389663 0.255570 0.746978 Bi\n0.421363 0.919846 0.463213 Bi\n0.566515 0.447786 0.104912 Bi\n0.130222 0.617823 0.758591 Bi\n0.869778 0.382177 0.241409 Bi\n0.552214 0.433485 0.395088 Bi\n0.744430 0.610337 0.753022 Bi\n0.271845 0.745910 0.125112 Bi\n0.617823 0.130222 0.258591 Bi\n0.066443 0.920431 0.900635 Bi\n",
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"elements": [
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],
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"density": 6.02593343068327,
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"formula_full": "Ca42 Mn8 Bi36",
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{
"id": "mp-762830",
"created_at": "2022-09-04T14:46:38.098779Z",
"structure_string": "Li4 Mn2 Nb3 V3 O16\n1.0\n3.054240 5.286841 0.000000\n-3.054240 5.286841 0.000000\n0.000000 0.012236 10.070967\nLi Mn Nb V O\n4 2 3 3 16\ndirect\n0.334304 0.334304 0.098650 Li\n0.995493 0.995493 0.996492 Li\n0.991091 0.991091 0.508480 Li\n0.665324 0.665324 0.616167 Li\n0.341473 0.341473 0.514069 Mn\n0.673063 0.673063 0.987787 Mn\n0.170507 0.170507 0.782058 Nb\n0.834768 0.339477 0.284357 Nb\n0.339477 0.834768 0.284357 Nb\n0.659187 0.174257 0.787466 V\n0.174257 0.659187 0.787466 V\n0.832040 0.832040 0.286188 V\n0.690676 0.157188 0.391352 O\n0.482355 0.482355 0.672742 O\n0.324360 0.324360 0.901102 O\n0.003656 0.003656 0.686326 O\n0.002862 0.002862 0.180643 O\n0.157188 0.690676 0.391352 O\n0.481591 0.029715 0.669375 O\n0.029715 0.481591 0.669375 O\n0.846623 0.846623 0.887423 O\n0.156586 0.156586 0.398259 O\n0.969989 0.510262 0.173277 O\n0.510262 0.969989 0.173277 O\n0.661495 0.661495 0.399381 O\n0.843934 0.312741 0.896058 O\n0.514601 0.514601 0.172629 O\n0.312741 0.843934 0.896058 O\n",
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{
"id": "mp-1077418",
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{
"id": "mp-697156",
"created_at": "2022-09-04T14:46:37.380368Z",
"structure_string": "Ba4 Cu8 P8 H8 O36\n1.0\n5.218736 0.000000 0.000000\n0.000000 9.839216 0.000000\n0.000000 0.000000 14.892256\nBa Cu P H O\n4 8 8 8 36\ndirect\n0.495696 0.021580 0.036288 Ba\n0.004304 0.978420 0.536288 Ba\n0.995696 0.478420 0.963712 Ba\n0.504304 0.521580 0.463712 Ba\n0.480683 0.751691 0.239852 Cu\n0.019317 0.248309 0.739852 Cu\n0.980683 0.748309 0.760148 Cu\n0.519317 0.251691 0.260148 Cu\n0.901441 0.512610 0.218950 Cu\n0.598559 0.487390 0.718950 Cu\n0.401441 0.987390 0.781050 Cu\n0.098559 0.012610 0.281050 Cu\n0.979736 0.802229 0.123730 P\n0.520264 0.197771 0.623730 P\n0.479736 0.697771 0.876270 P\n0.020264 0.302229 0.376271 P\n0.988303 0.723986 0.365367 P\n0.511697 0.276014 0.865367 P\n0.488303 0.776014 0.634633 P\n0.011697 0.223986 0.134633 P\n0.359753 0.478997 0.149619 H\n0.140247 0.521003 0.649619 H\n0.859753 0.021003 0.850381 H\n0.640247 0.978997 0.350381 H\n0.521909 0.574101 0.086506 H\n0.978091 0.425899 0.586506 H\n0.021909 0.925899 0.913494 H\n0.478091 0.074101 0.413494 H\n0.709735 0.846505 0.158359 O\n0.790265 0.153495 0.658359 O\n0.209735 0.653495 0.841641 O\n0.290265 0.346505 0.341641 O\n0.008988 0.645757 0.123162 O\n0.491012 0.354243 0.623162 O\n0.508988 0.854243 0.876838 O\n0.991012 0.145757 0.376838 O\n0.027158 0.865184 0.031644 O\n0.472842 0.134816 0.531644 O\n0.527158 0.634816 0.968356 O\n0.972842 0.365184 0.468356 O\n0.189548 0.864849 0.190929 O\n0.310452 0.135151 0.690929 O\n0.689548 0.635151 0.809071 O\n0.810452 0.364849 0.309071 O\n0.778905 0.655000 0.301706 O\n0.721095 0.345000 0.801706 O\n0.278905 0.845000 0.698294 O\n0.221095 0.155000 0.198294 O\n0.258322 0.680109 0.332304 O\n0.241678 0.319891 0.832304 O\n0.758322 0.819891 0.667696 O\n0.741678 0.180109 0.167696 O\n0.942990 0.880814 0.361239 O\n0.557010 0.119186 0.861239 O\n0.442990 0.619186 0.638761 O\n0.057010 0.380814 0.138761 O\n0.948071 0.675578 0.461101 O\n0.551929 0.324422 0.961101 O\n0.448071 0.824422 0.538899 O\n0.051929 0.175578 0.038899 O\n0.515927 0.535198 0.147597 O\n0.984073 0.464802 0.647597 O\n0.015927 0.964802 0.852403 O\n0.484073 0.035198 0.352403 O\n",
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{
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"structure_string": "La12 Fe11 S30\n1.0\n-3.948970 0.000000 -0.000000\n-0.000000 0.198067 -11.075610\n-1.974485 -24.857441 0.424484\nLa Fe S\n12 11 30\ndirect\n0.875103 0.066422 0.249794 La\n0.123989 0.545852 0.752022 La\n0.541565 0.057689 0.916869 La\n0.458332 0.558593 0.083337 La\n0.872965 0.447780 0.254070 La\n0.127140 0.936502 0.745721 La\n0.541037 0.439434 0.917925 La\n0.460411 0.935774 0.079178 La\n0.794073 0.962525 0.411853 La\n0.204393 0.469367 0.591215 La\n0.791667 0.577470 0.416665 La\n0.204202 0.089505 0.591596 La\n0.973032 0.279101 0.053936 Fe\n0.031340 0.770406 0.937320 Fe\n0.897290 0.746159 0.205420 Fe\n0.105839 0.233993 0.788322 Fe\n0.435978 0.239360 0.128044 Fe\n0.565597 0.749435 0.868806 Fe\n0.698989 0.799414 0.602022 Fe\n0.300284 0.289207 0.399432 Fe\n0.362030 0.783374 0.275941 Fe\n0.767328 0.270820 0.465343 Fe\n0.231781 0.775546 0.536438 Fe\n0.599554 0.388386 0.800893 S\n0.400198 0.900407 0.199604 S\n0.934152 0.093521 0.131695 S\n0.063462 0.607015 0.873075 S\n0.933338 0.396658 0.133324 S\n0.067111 0.895054 0.865778 S\n0.670761 0.965403 0.658478 S\n0.327598 0.455338 0.344805 S\n0.717734 0.273667 0.564532 S\n0.281625 0.770732 0.436749 S\n0.731035 0.632475 0.537930 S\n0.269130 0.130237 0.461740 S\n0.996970 0.459763 0.006061 S\n0.004829 0.944515 0.990343 S\n0.486101 0.186049 0.027798 S\n0.513044 0.701666 0.973913 S\n0.664126 0.486543 0.671748 S\n0.336960 0.971746 0.326081 S\n0.615028 0.743113 0.769943 S\n0.385231 0.254176 0.229539 S\n0.845924 0.700042 0.308152 S\n0.150069 0.200457 0.699862 S\n0.818252 0.214844 0.363497 S\n0.181619 0.731791 0.636762 S\n0.947698 0.746346 0.104604 S\n0.051653 0.245927 0.896695 S\n0.599656 0.086854 0.800687 S\n0.398448 0.600369 0.203104 S\n0.734080 0.932275 0.531841 S\n0.264552 0.425300 0.470897 S\n",
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