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{
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"results": [
{
"id": "mp-758370",
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"structure_string": "Li4 P10 W2 O30\n1.0\n13.562289 0.000000 0.000000\n0.000000 5.362565 0.000000\n0.000000 1.910656 8.776823\nLi P W O\n4 10 2 30\ndirect\n0.875952 0.946078 0.079836 Li\n0.624048 0.946078 0.079836 Li\n0.375952 0.053922 0.920164 Li\n0.124048 0.053922 0.920164 Li\n0.357788 0.006948 0.483277 P\n0.142212 0.006948 0.483277 P\n0.923023 0.664370 0.818953 P\n0.576977 0.664370 0.818953 P\n0.250000 0.542083 0.986535 P\n0.750000 0.457917 0.013465 P\n0.423023 0.335630 0.181047 P\n0.076977 0.335630 0.181047 P\n0.642212 0.993052 0.516723 P\n0.857788 0.993052 0.516723 P\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.500000 W\n0.750000 0.933561 0.462318 O\n0.963139 0.811789 0.928327 O\n0.536861 0.811789 0.928327 O\n0.250000 0.803927 0.885930 O\n0.855963 0.854684 0.692728 O\n0.644037 0.854684 0.692728 O\n0.926558 0.863139 0.424786 O\n0.573442 0.863139 0.424786 O\n0.367923 0.724484 0.496966 O\n0.132077 0.724484 0.496966 O\n0.842441 0.456626 0.896499 O\n0.657559 0.456626 0.896499 O\n0.993440 0.523114 0.736155 O\n0.506560 0.523114 0.736155 O\n0.750000 0.700069 0.072154 O\n0.250000 0.299931 0.927846 O\n0.493440 0.476886 0.263845 O\n0.006560 0.476886 0.263845 O\n0.342441 0.543374 0.103501 O\n0.157559 0.543374 0.103501 O\n0.867923 0.275516 0.503034 O\n0.632077 0.275516 0.503034 O\n0.426558 0.136861 0.575214 O\n0.073442 0.136861 0.575214 O\n0.355963 0.145316 0.307272 O\n0.144037 0.145316 0.307272 O\n0.750000 0.196073 0.114070 O\n0.463139 0.188211 0.071673 O\n0.036861 0.188211 0.071673 O\n0.250000 0.066439 0.537682 O\n",
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"volume_molar": 8.356722381809847,
"formula_full": "Li4 P10 W2 O30",
"formula_reduced": "Li2P5WO15",
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"spacegroup": 11
},
{
"id": "mp-771879",
"created_at": "2022-09-04T14:45:26.516065Z",
"structure_string": "Sr8 La4 Cl28\n1.0\n13.811549 0.000000 0.000000\n0.000000 7.193917 0.000000\n0.000000 0.096777 12.449097\nSr La Cl\n8 4 28\ndirect\n0.520030 0.801342 0.714396 Sr\n0.138738 0.734575 0.643884 Sr\n0.788395 0.732558 0.146684 Sr\n0.394573 0.734394 0.191804 Sr\n0.894573 0.265606 0.808196 Sr\n0.288395 0.267442 0.853316 Sr\n0.638738 0.265425 0.356116 Sr\n0.020030 0.198658 0.285604 Sr\n0.846980 0.814669 0.559582 La\n0.069116 0.791426 0.026607 La\n0.569116 0.208574 0.973393 La\n0.346980 0.185331 0.440418 La\n0.660811 0.904172 0.879462 Cl\n0.406852 0.964496 0.987687 Cl\n0.521954 0.002796 0.503055 Cl\n0.179598 0.910784 0.854456 Cl\n0.273925 0.844989 0.378714 Cl\n0.757782 0.904279 0.366323 Cl\n0.943108 0.861181 0.760117 Cl\n0.985316 0.803603 0.238600 Cl\n0.334232 0.593262 0.697152 Cl\n0.597061 0.568290 0.184210 Cl\n0.681918 0.616311 0.612798 Cl\n0.714969 0.427437 0.891339 Cl\n0.968981 0.504482 0.573575 Cl\n0.428716 0.488388 0.976829 Cl\n0.928716 0.511612 0.023171 Cl\n0.468981 0.495518 0.426425 Cl\n0.214969 0.572563 0.108661 Cl\n0.181918 0.383689 0.387202 Cl\n0.097061 0.431710 0.815790 Cl\n0.834232 0.406738 0.302848 Cl\n0.485316 0.196397 0.761400 Cl\n0.443108 0.138819 0.239883 Cl\n0.257782 0.095721 0.633677 Cl\n0.773925 0.155011 0.621286 Cl\n0.679598 0.089216 0.145544 Cl\n0.021954 0.997204 0.496945 Cl\n0.906852 0.035504 0.012313 Cl\n0.160811 0.095828 0.120538 Cl\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"La",
"Cl"
],
"chemical_system": "Cl-La-Sr",
"density": 3.0195639416155404,
"density_atomic": 0.03233808729897825,
"volume": 1236.9315361846966,
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"formula_full": "Sr8 La4 Cl28",
"formula_reduced": "Sr2LaCl7",
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"energy": -196.93669632,
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"spacegroup": 4
},
{
"id": "mp-1096636",
"created_at": "2022-09-04T14:45:26.520276Z",
"structure_string": "Cr1 Si1 Tc2\n1.0\n-4.748848 4.801783 7.920046\n4.748848 -4.801783 7.920046\n4.748848 4.801783 -7.920046\nCr Si Tc\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Si\n0.230118 0.000000 0.230118 Tc\n0.769882 0.000000 0.769882 Tc\n",
"nsites": 4,
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"elements": [
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"Tc"
],
"chemical_system": "Cr-Si-Tc",
"density": 0.6346116881673789,
"density_atomic": 0.005537088911982381,
"volume": 722.4012587812908,
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"formula_full": "Cr1 Si1 Tc2",
"formula_reduced": "CrSiTc2",
"formula_anonymous": "ABC2",
"energy": -21.70148245,
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"updated_at": "2021-11-28T01:37:09.995000Z",
"spacegroup": 71
},
{
"id": "mp-1225875",
"created_at": "2022-09-04T14:45:26.526446Z",
"structure_string": "K7 Mo12 H31 Pt2 O59\n1.0\n-10.353391 0.000000 0.000000\n-1.329137 -12.299833 0.000000\n4.678846 4.378734 11.032972\nK Mo H Pt O\n7 12 31 2 59\ndirect\n0.063634 0.420026 0.136930 K\n0.930510 0.576446 0.859672 K\n0.262701 0.093469 0.878203 K\n0.750491 0.905234 0.133399 K\n0.597907 0.355854 0.166157 K\n0.397421 0.635683 0.826333 K\n0.000866 0.001188 0.504829 K\n0.704820 0.229253 0.680784 Mo\n0.297453 0.773053 0.323195 Mo\n0.605307 0.140144 0.374128 Mo\n0.392429 0.858867 0.620836 Mo\n0.262476 0.140134 0.203988 Mo\n0.735926 0.862181 0.797862 Mo\n0.472710 0.324334 0.809987 Mo\n0.527255 0.676069 0.190666 Mo\n0.127916 0.314418 0.643564 Mo\n0.871689 0.685013 0.357511 Mo\n0.020259 0.224175 0.336847 Mo\n0.978331 0.776016 0.664160 Mo\n0.242899 0.477030 0.001727 H\n0.756848 0.523791 0.999334 H\n0.963615 0.186001 0.855665 H\n0.042721 0.812938 0.143135 H\n0.420850 0.536984 0.353184 H\n0.577753 0.464054 0.646184 H\n0.789411 0.416617 0.450729 H\n0.209919 0.582459 0.547365 H\n0.416855 0.410189 0.357717 H\n0.584014 0.590663 0.641738 H\n0.145707 0.372286 0.895852 H\n0.854959 0.627626 0.105594 H\n0.693451 0.473440 0.530645 H\n0.307903 0.525450 0.469413 H\n0.244237 0.411120 0.518019 H\n0.757869 0.588488 0.482240 H\n0.978579 0.111591 0.932027 H\n0.024946 0.891356 0.070046 H\n0.210737 0.022976 0.348454 H\n0.786494 0.975519 0.651368 H\n0.810438 0.169589 0.054979 H\n0.181644 0.831258 0.946860 H\n0.729532 0.218319 0.954993 H\n0.274204 0.786786 0.048507 H\n0.418000 0.948513 0.233090 H\n0.581796 0.051505 0.769785 H\n0.312588 0.106360 0.628212 H\n0.685454 0.892193 0.373185 H\n0.500487 0.016335 0.501196 H\n0.413435 0.917727 0.010096 H\n0.496850 0.905954 0.927615 H\n0.369663 0.211810 0.504319 Pt\n0.628055 0.785923 0.496282 Pt\n0.026745 0.200176 0.481923 O\n0.973339 0.799734 0.519606 O\n0.525781 0.098937 0.507928 O\n0.470208 0.895205 0.493267 O\n0.302099 0.404500 0.755164 O\n0.697858 0.595247 0.245005 O\n0.704544 0.245479 0.531107 O\n0.287021 0.751388 0.467984 O\n0.125511 0.249228 0.245339 O\n0.873001 0.752421 0.757290 O\n0.103793 0.241963 0.729985 O\n0.896080 0.758303 0.271642 O\n0.710859 0.467478 0.456456 O\n0.288282 0.531117 0.542858 O\n0.146673 0.444925 0.963537 O\n0.852686 0.556431 0.036002 O\n0.614292 0.201962 0.781715 O\n0.387800 0.799830 0.220524 O\n0.211979 0.327407 0.503255 O\n0.790317 0.671729 0.497552 O\n0.217699 0.107409 0.354199 O\n0.779679 0.892066 0.646350 O\n0.516217 0.322285 0.649614 O\n0.482966 0.675310 0.350249 O\n0.809025 0.104158 0.671235 O\n0.191154 0.897288 0.329118 O\n0.816263 0.346499 0.786615 O\n0.188109 0.654552 0.215987 O\n0.015030 0.428544 0.652779 O\n0.984919 0.571154 0.348003 O\n0.706896 0.012678 0.365694 O\n0.291599 0.987526 0.633819 O\n0.911800 0.341621 0.342631 O\n0.087841 0.659185 0.661291 O\n0.639315 0.196633 0.281791 O\n0.367443 0.802977 0.718730 O\n0.431329 0.270015 0.902704 O\n0.570041 0.730702 0.098760 O\n0.360157 0.476501 0.347021 O\n0.640001 0.524742 0.655154 O\n0.422761 0.236239 0.377199 O\n0.577215 0.762316 0.624508 O\n0.431191 0.030645 0.241981 O\n0.567143 0.969466 0.759253 O\n0.580904 0.448674 0.905925 O\n0.418174 0.552454 0.092935 O\n0.766231 0.239948 0.043257 O\n0.257137 0.779147 0.964936 O\n0.917754 0.101511 0.226663 O\n0.080329 0.899363 0.773529 O\n0.322506 0.202626 0.128299 O\n0.674102 0.805190 0.877549 O\n0.161669 0.015389 0.094089 O\n0.837616 0.987342 0.904830 O\n0.022595 0.178034 0.931997 O\n0.985463 0.820576 0.066133 O\n0.318415 0.190755 0.634597 O\n0.680221 0.808282 0.366546 O\n0.475414 0.961931 0.996986 O\n",
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"elements": [
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],
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"density": 3.297865507154331,
"density_atomic": 0.07900391849254815,
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"formula_full": "K7 Mo12 H31 Pt2 O59",
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"spacegroup": 1
},
{
"id": "mp-1224256",
"created_at": "2022-09-04T14:45:26.536591Z",
"structure_string": "K5 Na1 Ni5 P8 O28\n1.0\n-7.284420 0.000000 0.000000\n2.309526 9.134421 0.000000\n-0.092359 -3.499607 -9.600113\nK Na Ni P O\n5 1 5 8 28\ndirect\n0.999831 0.550677 0.824702 K\n0.000977 0.454699 0.184496 K\n0.950050 0.802306 0.575044 K\n0.054251 0.188318 0.415370 K\n0.501865 0.996083 0.496165 K\n0.566205 0.627920 0.325561 Na\n0.001207 0.999667 0.998327 Ni\n0.639700 0.040606 0.128742 Ni\n0.363142 0.958647 0.877084 Ni\n0.503511 0.505757 0.001335 Ni\n0.422330 0.378218 0.682927 Ni\n0.751246 0.189407 0.874965 P\n0.250996 0.810249 0.123661 P\n0.151285 0.187250 0.778316 P\n0.853320 0.816550 0.217290 P\n0.338323 0.655740 0.607123 P\n0.649247 0.342801 0.402749 P\n0.638805 0.740218 0.827147 P\n0.361793 0.259850 0.165783 P\n0.564644 0.716657 0.670053 O\n0.432548 0.293508 0.326597 O\n0.931138 0.191438 0.767872 O\n0.076051 0.811790 0.229442 O\n0.337643 0.672943 0.465564 O\n0.610933 0.322247 0.545288 O\n0.267752 0.486214 0.606394 O\n0.748261 0.507248 0.410528 O\n0.272725 0.354834 0.856478 O\n0.740190 0.652693 0.129801 O\n0.237727 0.764380 0.711232 O\n0.747003 0.221883 0.311306 O\n0.825991 0.142202 0.991865 O\n0.178606 0.859481 0.006690 O\n0.159534 0.066217 0.846425 O\n0.849650 0.940616 0.149970 O\n0.214081 0.145795 0.628854 O\n0.801675 0.867292 0.367665 O\n0.583187 0.067606 0.780274 O\n0.421570 0.929019 0.217696 O\n0.730910 0.355392 0.924828 O\n0.271084 0.643642 0.070521 O\n0.541684 0.850254 0.933025 O\n0.463129 0.145332 0.067513 O\n0.852153 0.802989 0.835244 O\n0.148827 0.192393 0.160623 O\n0.581250 0.572665 0.834004 O\n0.411972 0.418310 0.147463 O\n",
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{
"id": "mp-1177949",
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"structure_string": "Li8 Mn8 V12 O48\n1.0\n8.982207 0.000000 0.000000\n0.000000 9.129217 0.000000\n0.000000 0.000000 12.773678\nLi Mn V O\n8 8 12 48\ndirect\n0.273952 0.224785 0.190287 Li\n0.773952 0.775215 0.190287 Li\n0.773952 0.275215 0.309713 Li\n0.273952 0.724785 0.309713 Li\n0.726048 0.275215 0.690287 Li\n0.226048 0.724785 0.690287 Li\n0.226048 0.224785 0.809713 Li\n0.726048 0.775215 0.809713 Li\n0.971058 0.251243 0.119371 Mn\n0.471058 0.748757 0.119371 Mn\n0.971058 0.751243 0.380629 Mn\n0.471058 0.248757 0.380629 Mn\n0.028942 0.248757 0.619371 Mn\n0.528942 0.751243 0.619371 Mn\n0.528942 0.251243 0.880629 Mn\n0.028942 0.748757 0.880629 Mn\n0.250000 0.468528 0.000000 V\n0.750000 0.531472 0.000000 V\n0.750000 0.031472 0.500000 V\n0.250000 0.968528 0.500000 V\n0.605895 0.099279 0.141502 V\n0.105895 0.900721 0.141502 V\n0.105895 0.400721 0.358498 V\n0.605895 0.599279 0.358498 V\n0.394105 0.400721 0.641502 V\n0.894105 0.599279 0.641502 V\n0.894105 0.099279 0.858498 V\n0.394105 0.900721 0.858498 V\n0.556097 0.150006 0.017598 O\n0.056097 0.849994 0.017598 O\n0.368508 0.575477 0.073097 O\n0.868508 0.424523 0.073097 O\n0.158783 0.352573 0.090304 O\n0.658783 0.647427 0.090304 O\n0.102240 0.093697 0.161118 O\n0.602240 0.906303 0.161118 O\n0.784972 0.161114 0.173954 O\n0.284972 0.838886 0.173954 O\n0.978105 0.821690 0.226598 O\n0.478105 0.178310 0.226598 O\n0.978105 0.321690 0.273402 O\n0.478105 0.678310 0.273402 O\n0.784972 0.661114 0.326046 O\n0.284972 0.338886 0.326046 O\n0.602240 0.406303 0.338882 O\n0.102240 0.593697 0.338882 O\n0.658783 0.147427 0.409696 O\n0.158783 0.852573 0.409696 O\n0.368508 0.075477 0.426903 O\n0.868508 0.924523 0.426903 O\n0.556097 0.650006 0.482402 O\n0.056097 0.349994 0.482402 O\n0.443903 0.349994 0.517598 O\n0.943903 0.650006 0.517598 O\n0.131492 0.075477 0.573097 O\n0.631492 0.924523 0.573097 O\n0.841217 0.147427 0.590304 O\n0.341217 0.852573 0.590304 O\n0.897760 0.406303 0.661118 O\n0.397760 0.593697 0.661118 O\n0.215028 0.338886 0.673954 O\n0.715028 0.661114 0.673954 O\n0.521895 0.321690 0.726598 O\n0.021895 0.678310 0.726598 O\n0.021895 0.178310 0.773402 O\n0.521895 0.821690 0.773402 O\n0.715028 0.161114 0.826046 O\n0.215028 0.838886 0.826046 O\n0.397760 0.093697 0.838882 O\n0.897760 0.906303 0.838882 O\n0.341217 0.352573 0.909696 O\n0.841217 0.647427 0.909696 O\n0.631492 0.424523 0.926903 O\n0.131492 0.575477 0.926903 O\n0.943903 0.150006 0.982402 O\n0.443903 0.849994 0.982402 O\n",
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