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{
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"results": [
{
"id": "mp-1074855",
"created_at": "2022-09-04T14:40:32.036187Z",
"structure_string": "Mg14 Si8\n1.0\n5.210833 0.000000 0.000000\n0.465947 5.907364 0.000000\n1.036513 1.091135 13.953527\nMg Si\n14 8\ndirect\n0.028264 0.109404 0.716227 Mg\n0.753887 0.505016 0.836858 Mg\n0.577188 0.872971 0.637193 Mg\n0.512599 0.380722 0.653026 Mg\n0.696293 0.318825 0.077861 Mg\n0.660586 0.672260 0.443121 Mg\n0.452076 0.082442 0.306371 Mg\n0.179749 0.434517 0.469821 Mg\n0.246582 0.331600 0.934956 Mg\n0.426436 0.784752 0.987525 Mg\n0.918020 0.945956 0.929933 Mg\n0.762093 0.805714 0.155932 Mg\n0.916888 0.340385 0.288591 Mg\n0.129846 0.934211 0.503549 Mg\n0.191714 0.076946 0.111789 Si\n0.501557 0.042585 0.808757 Si\n0.260136 0.686458 0.798607 Si\n0.384789 0.551798 0.266500 Si\n0.178431 0.496442 0.117250 Si\n0.651052 0.180908 0.480908 Si\n0.026723 0.605359 0.655594 Si\n0.045053 0.833311 0.323299 Si\n",
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{
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"structure_string": "Li3 Fe8 B8 O24\n1.0\n5.250366 0.000000 0.000000\n0.232373 9.203190 0.000000\n0.201685 0.136108 10.081781\nLi Fe B O\n3 8 8 24\ndirect\n0.324365 0.328685 0.411961 Li\n0.325633 0.325019 0.918663 Li\n0.828999 0.824195 0.901527 Li\n0.175050 0.836366 0.634794 Fe\n0.183412 0.502309 0.128320 Fe\n0.312744 0.001930 0.878329 Fe\n0.326474 0.668364 0.375151 Fe\n0.676800 0.333901 0.636114 Fe\n0.666168 0.004954 0.126180 Fe\n0.835182 0.157922 0.375130 Fe\n0.821290 0.501340 0.879987 Fe\n0.165347 0.502267 0.619339 B\n0.165702 0.836645 0.129716 B\n0.342270 0.001562 0.381898 B\n0.333452 0.664524 0.875260 B\n0.661599 0.002265 0.629694 B\n0.676656 0.328233 0.125206 B\n0.832532 0.494227 0.378140 B\n0.827032 0.168230 0.877632 B\n0.095719 0.494654 0.353007 O\n0.083501 0.176342 0.877670 O\n0.184073 0.788401 0.834340 O\n0.244436 0.871309 0.428706 O\n0.197389 0.128571 0.382779 O\n0.208646 0.538218 0.910162 O\n0.329121 0.383846 0.610829 O\n0.326304 0.945828 0.086595 O\n0.248448 0.638296 0.577497 O\n0.265678 0.710504 0.185323 O\n0.418999 0.331746 0.114515 O\n0.408505 0.992117 0.667697 O\n0.593871 0.002300 0.333793 O\n0.590163 0.675513 0.879542 O\n0.672706 0.286044 0.831066 O\n0.728173 0.358638 0.418710 O\n0.675912 0.611700 0.368092 O\n0.696025 0.046008 0.924645 O\n0.831424 0.436371 0.081835 O\n0.828395 0.889617 0.647127 O\n0.742794 0.135548 0.573888 O\n0.793550 0.196798 0.177938 O\n0.907959 0.851078 0.108080 O\n0.916785 0.485646 0.663741 O\n",
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"volume": 487.15282607116325,
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"formula_full": "Li3 Fe8 B8 O24",
"formula_reduced": "Li3Fe8(BO3)8",
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},
{
"id": "mp-775187",
"created_at": "2022-09-04T14:40:37.437733Z",
"structure_string": "Li1 Fe8 B8 O24\n1.0\n5.323516 0.000000 0.000000\n-0.059201 9.018606 0.000000\n-2.627713 -4.433720 10.119890\nLi Fe B O\n1 8 8 24\ndirect\n0.224886 0.583690 0.156686 Li\n0.716914 0.393905 0.124215 Fe\n0.776589 0.104572 0.877475 Fe\n0.541765 0.518735 0.376956 Fe\n0.974231 0.979796 0.627934 Fe\n0.027633 0.023141 0.376087 Fe\n0.476710 0.479034 0.628913 Fe\n0.225209 0.905511 0.126633 Fe\n0.280509 0.604233 0.878297 Fe\n0.984758 0.645072 0.629232 B\n0.225355 0.235094 0.125482 B\n0.481750 0.140451 0.626324 B\n0.737562 0.735117 0.129031 B\n0.522795 0.857272 0.370699 B\n0.270584 0.268572 0.876617 B\n0.027830 0.360232 0.379841 B\n0.775196 0.768119 0.878477 B\n0.966043 0.224414 0.066189 O\n0.867264 0.456027 0.331997 O\n0.678394 0.901517 0.871197 O\n0.081333 0.784051 0.631119 O\n0.718915 0.591172 0.575961 O\n0.367712 0.389147 0.178359 O\n0.855691 0.603033 0.127358 O\n0.638726 0.041157 0.672706 O\n0.104297 0.124845 0.823391 O\n0.783850 0.913716 0.430573 O\n0.427904 0.705850 0.349173 O\n0.532372 0.263480 0.921539 O\n0.461423 0.727705 0.085383 O\n0.216525 0.086166 0.570597 O\n0.886173 0.885655 0.174286 O\n0.359676 0.956347 0.326341 O\n0.176424 0.413234 0.888941 O\n0.615449 0.621664 0.832515 O\n0.293615 0.415718 0.434035 O\n0.930759 0.219465 0.375714 O\n0.577741 0.284354 0.634167 O\n0.339857 0.104138 0.134301 O\n0.143919 0.547632 0.679347 O\n0.042459 0.768544 0.932759 O\n",
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"elements": [
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],
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"density": 3.1585616350014374,
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"volume": 485.86293541133625,
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"formula_full": "Li1 Fe8 B8 O24",
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"energy": -332.32438770000005,
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"updated_at": "2021-11-28T01:35:05.651000Z",
"spacegroup": 1
},
{
"id": "mp-1233360",
"created_at": "2022-09-04T14:40:32.163035Z",
"structure_string": "Ca1 Sm4 Mo4 O14\n1.0\n6.676554 0.007961 3.859819\n2.238530 6.356758 3.850727\n0.054831 0.027024 7.622910\nCa Sm Mo O\n1 4 4 14\ndirect\n0.118068 0.153123 0.092023 Ca\n0.521768 0.997054 0.520955 Sm\n0.481080 0.524546 0.496711 Sm\n0.503884 0.495294 -0.000673 Sm\n-0.000295 0.453196 0.506427 Sm\n0.990849 0.979969 0.992023 Mo\n0.996435 0.985408 0.519268 Mo\n0.528567 0.988555 -0.000069 Mo\n0.984316 0.546795 0.994858 Mo\n0.673727 0.069087 0.681047 O\n0.097416 0.679668 0.663024 O\n0.908037 0.328257 0.345805 O\n0.655033 0.664269 0.096584 O\n0.376473 0.366052 0.385321 O\n0.903439 0.347276 0.892958 O\n0.097747 0.068872 0.654800 O\n0.343948 0.914576 0.908339 O\n0.345036 0.342340 0.908622 O\n0.091194 0.651796 0.111837 O\n0.624866 0.631050 0.616984 O\n0.325959 0.909543 0.316237 O\n0.897006 0.946061 0.336329 O\n0.660448 0.082216 0.085592 O\n",
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"elements": [
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],
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"density": 6.450739998607563,
"density_atomic": 0.07152075730471949,
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"formula_full": "Ca1 Sm4 Mo4 O14",
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"energy": -196.24626032,
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{
"id": "mp-767467",
"created_at": "2022-09-04T14:40:32.240363Z",
"structure_string": "Li7 Y7 Zr9 S32\n1.0\n7.686522 0.000000 0.000000\n3.720183 6.794631 0.000000\n3.470352 1.890909 24.855792\nLi Y Zr S\n7 7 9 32\ndirect\n0.688109 0.685397 0.937175 Li\n0.999721 0.001317 0.999975 Li\n0.437931 0.436298 0.687537 Li\n0.501332 0.500887 0.499569 Li\n0.936004 0.936343 0.188074 Li\n0.185668 0.186090 0.438660 Li\n0.251315 0.250841 0.249752 Li\n0.967811 0.469984 0.594073 Y\n0.217981 0.720428 0.842993 Y\n0.469893 0.968130 0.594154 Y\n0.218135 0.719233 0.343988 Y\n0.719178 0.218145 0.343981 Y\n0.968209 0.469362 0.093764 Y\n0.469481 0.968277 0.093882 Y\n0.344132 0.343257 0.968248 Zr\n0.217658 0.215564 0.841632 Zr\n0.726209 0.214473 0.841321 Zr\n0.844216 0.843542 0.469483 Zr\n0.093240 0.093792 0.719001 Zr\n0.964548 0.966091 0.594871 Zr\n0.593449 0.593931 0.219642 Zr\n0.719243 0.719317 0.344357 Zr\n0.469720 0.468542 0.094030 Zr\n0.917637 0.381116 0.785161 S\n0.379590 0.933572 0.782051 S\n0.056480 0.507292 0.906152 S\n0.520040 0.056588 0.903533 S\n0.531694 0.506678 0.905589 S\n0.266513 0.270024 0.660716 S\n0.411890 0.388554 0.787261 S\n0.902378 0.932598 0.782208 S\n0.024853 0.049505 0.901098 S\n0.792986 0.793642 0.650980 S\n0.135091 0.679537 0.530437 S\n0.678747 0.134712 0.530654 S\n0.803300 0.258617 0.657206 S\n0.256980 0.804275 0.658056 S\n0.019327 0.019392 0.408796 S\n0.146781 0.145972 0.536397 S\n0.895992 0.895744 0.285807 S\n0.667850 0.668906 0.528077 S\n0.418584 0.418592 0.278109 S\n0.541525 0.541775 0.401433 S\n0.884120 0.429540 0.280674 S\n0.429291 0.883669 0.280786 S\n0.553033 0.007914 0.406137 S\n0.758605 0.303502 0.155961 S\n0.303200 0.757900 0.156158 S\n0.008101 0.553485 0.406025 S\n0.769795 0.768959 0.158791 S\n0.646031 0.645917 0.035598 S\n0.170332 0.167691 0.027481 S\n0.291138 0.291939 0.151457 S\n0.633916 0.179936 0.030836 S\n0.181017 0.633217 0.030213 S\n",
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"Y",
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],
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"formula_full": "Li7 Y7 Zr9 S32",
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"spacegroup": 1
},
{
"id": "mp-1202945",
"created_at": "2022-09-04T14:40:37.518662Z",
"structure_string": "K4 Na2 Ca4 Ti2 Si14 O40\n1.0\n0.010598 0.004138 7.162541\n10.361721 -0.054346 -1.689017\n-0.645461 12.322318 -0.209530\nK Na Ca Ti Si O\n4 2 4 2 14 40\ndirect\n0.929464 0.651367 0.994099 K\n0.380512 0.538437 0.755897 K\n0.365254 0.324241 0.197123 K\n0.841167 0.422720 0.445868 K\n0.501115 0.997386 0.989492 Na\n0.726818 0.965372 0.213203 Na\n0.025539 0.102536 0.692384 Ca\n0.522010 0.105473 0.681001 Ca\n0.203637 0.859880 0.510261 Ca\n0.706336 0.855982 0.521598 Ca\n0.018082 0.993815 0.000555 Ti\n0.210809 0.971352 0.204717 Ti\n0.542721 0.291507 0.911614 Si\n0.116386 0.297863 0.921099 Si\n0.984132 0.111741 0.409981 Si\n0.537555 0.108403 0.402577 Si\n0.242149 0.851765 0.794030 Si\n0.690077 0.855930 0.799702 Si\n0.113459 0.667188 0.284115 Si\n0.683427 0.671161 0.289064 Si\n0.310121 0.296757 0.515947 Si\n0.835318 0.261708 0.092600 Si\n0.397573 0.703548 0.111602 Si\n0.382322 0.583941 0.450951 Si\n0.916917 0.666294 0.686485 Si\n0.844343 0.378378 0.751096 Si\n0.829731 0.309694 0.220561 O\n0.108275 0.255907 0.446014 O\n0.479040 0.252577 0.438392 O\n0.352900 0.456264 0.524867 O\n0.058725 0.061629 0.294221 O\n0.703087 0.814203 0.340531 O\n0.385276 0.660449 0.981990 O\n0.824761 0.106056 0.076976 O\n0.030798 0.337468 0.039629 O\n0.651369 0.309296 0.032760 O\n0.583168 0.653135 0.165491 O\n0.205779 0.627014 0.167957 O\n0.884720 0.615860 0.272444 O\n0.554866 0.564044 0.365452 O\n0.184869 0.575764 0.376859 O\n0.768179 0.140390 0.387703 O\n0.037643 0.388811 0.829925 O\n0.056135 0.146336 0.887794 O\n0.345071 0.351257 0.931289 O\n0.169142 0.900985 0.910580 O\n0.787754 0.905131 0.917410 O\n0.745568 0.711425 0.761370 O\n0.233601 0.948054 0.696571 O\n0.737762 0.953755 0.702984 O\n0.808751 0.248617 0.674821 O\n0.302828 0.239111 0.633557 O\n0.927802 0.723676 0.568946 O\n0.421318 0.713755 0.527475 O\n0.489198 0.010944 0.499246 O\n0.116129 0.706912 0.759771 O\n0.459542 0.825682 0.814821 O\n0.875458 0.506671 0.677686 O\n0.443051 0.059264 0.284069 O\n0.989836 0.013426 0.506133 O\n0.514288 0.147426 0.861963 O\n0.995902 0.883622 0.114281 O\n0.233783 0.080105 0.089875 O\n0.667112 0.396568 0.832861 O\n0.175848 0.818775 0.316883 O\n0.407692 0.859195 0.127784 O\n",
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],
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"density": 2.7084183119269634,
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"volume": 914.4991903169075,
"volume_molar": 8.344307346961282,
"formula_full": "K4 Na2 Ca4 Ti2 Si14 O40",
"formula_reduced": "K2NaCa2TiSi7O20",
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"energy": -512.4258713,
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"spacegroup": 1
},
{
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{
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{
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{
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{
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"structure_string": "Na6 Zr4 Si4 P2 O24\n1.0\n9.196952 0.000000 0.000000\n-4.588579 -7.976545 0.000000\n-4.574096 2.628436 -7.562823\nNa Zr Si P O\n6 4 4 2 24\ndirect\n0.613439 0.872091 0.205622 Na\n0.493643 0.977066 0.501934 Na\n0.005214 0.611030 0.257396 Na\n0.009351 0.390269 0.758011 Na\n0.382765 0.259601 0.291368 Na\n0.502608 0.486735 0.996615 Na\n0.212237 0.360258 0.561887 Zr\n0.207356 0.858329 0.057774 Zr\n0.783255 0.141660 0.937758 Zr\n0.799340 0.656110 0.441910 Zr\n0.283193 0.539088 0.235215 Si\n0.300106 0.753799 0.748526 Si\n0.712986 0.254945 0.261725 Si\n0.002502 0.961011 0.252524 Si\n0.000054 0.050499 0.749953 P\n0.703377 0.457948 0.750120 P\n0.862605 0.997610 0.081297 O\n0.882177 0.894118 0.582854 O\n0.487704 0.570872 0.260558 O\n0.082050 0.373813 0.053023 O\n0.267273 0.493696 0.401419 O\n0.297208 0.724685 0.232475 O\n0.161455 0.226872 0.752531 O\n0.485975 0.922752 0.750562 O\n0.307679 0.579041 0.749962 O\n0.158384 0.932996 0.239125 O\n0.915440 0.289182 0.442659 O\n0.729071 0.228144 0.095656 O\n0.304826 0.800042 0.924667 O\n0.080152 0.701374 0.573193 O\n0.842935 0.073226 0.747530 O\n0.693391 0.422751 0.267099 O\n0.511077 0.081620 0.239726 O\n0.838284 0.776532 0.259796 O\n0.698581 0.287139 0.749084 O\n0.691019 0.497168 0.581158 O\n0.908801 0.615602 0.916232 O\n0.526333 0.436511 0.750007 O\n0.143048 0.135163 0.424229 O\n0.113102 0.008648 0.916818 O\n",
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{
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}