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{
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{
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{
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"structure_string": "Ti19 O30\n1.0\n5.101870 0.000000 0.000000\n-2.548641 4.900673 0.000000\n-0.021843 -1.750649 21.074528\nTi O\n19 30\ndirect\n0.511577 0.045660 0.935141 Ti\n0.818470 0.629489 0.837534 Ti\n0.415906 0.831942 0.631539 Ti\n0.284074 0.568286 0.469134 Ti\n0.315604 0.631984 0.330059 Ti\n0.388687 0.772464 0.771448 Ti\n0.118084 0.232196 0.731132 Ti\n0.089732 0.171518 0.869742 Ti\n0.983188 0.968114 0.569742 Ti\n0.915691 0.821059 0.127818 Ti\n0.016674 0.032068 0.430831 Ti\n0.882782 0.770725 0.268587 Ti\n0.616040 0.231149 0.230298 Ti\n0.716256 0.431479 0.531346 Ti\n0.685441 0.371082 0.671282 Ti\n0.584238 0.168801 0.368873 Ti\n0.184044 0.370333 0.166991 Ti\n0.484940 0.973187 0.068310 Ti\n0.215705 0.439326 0.023835 Ti\n0.162443 0.700109 0.550114 O\n0.513307 0.355410 0.882820 O\n0.108606 0.849415 0.905135 O\n0.675788 0.037818 0.712779 O\n0.736396 0.162900 0.588301 O\n0.642426 0.908359 0.850816 O\n0.436954 0.500774 0.249595 O\n0.960759 0.276555 0.948546 O\n0.761935 0.900573 0.350109 O\n0.662624 0.637264 0.612864 O\n0.064772 0.439400 0.811902 O\n0.867000 0.040624 0.211744 O\n0.128528 0.564195 0.688264 O\n0.725419 0.762123 0.487835 O\n0.433173 0.219181 0.014387 O\n0.274671 0.237560 0.512498 O\n0.873951 0.438888 0.312068 O\n0.503513 0.772225 0.986745 O\n0.127841 0.957738 0.785875 O\n0.337182 0.362958 0.387476 O\n0.940077 0.564069 0.188514 O\n0.239443 0.101269 0.649957 O\n0.051642 0.684948 0.059084 O\n0.564486 0.502069 0.751232 O\n0.362736 0.101963 0.150355 O\n0.263478 0.837662 0.412191 O\n0.924414 0.157593 0.086956 O\n0.324744 0.963261 0.287545 O\n0.483938 0.636476 0.111610 O\n0.837831 0.300170 0.450075 O\n",
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"elements": [
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"formula_full": "Ti19 O30",
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{
"id": "mp-972540",
"created_at": "2022-09-04T14:39:10.436790Z",
"structure_string": "Sm1 Y1 Zn2\n1.0\n0.000000 3.616701 3.616701\n3.616701 0.000000 3.616701\n3.616701 3.616701 0.000000\nSm Y Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n",
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"volume": 94.61670382206104,
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"formula_full": "Sm1 Y1 Zn2",
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"spacegroup": 225
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{
"id": "mp-1019889",
"created_at": "2022-09-04T14:39:22.165166Z",
"structure_string": "K4 Si8 B4 O24\n1.0\n4.776840 0.000000 0.000000\n0.000000 10.096773 0.000000\n0.000000 0.000000 10.564765\nK Si B O\n4 8 4 24\ndirect\n0.797510 0.965643 0.811085 K\n0.702490 0.034357 0.311085 K\n0.297510 0.534357 0.188915 K\n0.202490 0.465643 0.688915 K\n0.785701 0.609013 0.935063 Si\n0.714299 0.390987 0.435063 Si\n0.285701 0.890987 0.064937 Si\n0.214299 0.109013 0.564937 Si\n0.266099 0.801984 0.575547 Si\n0.233901 0.198016 0.075547 Si\n0.766099 0.698016 0.424453 Si\n0.733901 0.301984 0.924453 Si\n0.289087 0.731333 0.843108 B\n0.210913 0.268667 0.343108 B\n0.789087 0.768667 0.156892 B\n0.710913 0.231333 0.656892 B\n0.989296 0.693864 0.841853 O\n0.510704 0.306136 0.341853 O\n0.489296 0.806136 0.158147 O\n0.010704 0.193864 0.658147 O\n0.330417 0.856306 0.914923 O\n0.169583 0.143694 0.414923 O\n0.830417 0.643694 0.085077 O\n0.669583 0.356306 0.585077 O\n0.457372 0.621489 0.894754 O\n0.042628 0.378511 0.394754 O\n0.957372 0.878511 0.105246 O\n0.542628 0.121489 0.605246 O\n0.382495 0.755519 0.711264 O\n0.117505 0.244481 0.211264 O\n0.882495 0.744481 0.288736 O\n0.617505 0.255519 0.788736 O\n0.024779 0.697607 0.526849 O\n0.475221 0.302393 0.026849 O\n0.524779 0.802393 0.473151 O\n0.975221 0.197607 0.973151 O\n0.129200 0.950445 0.579279 O\n0.370800 0.049555 0.079279 O\n0.629200 0.549555 0.420721 O\n0.870800 0.450445 0.920721 O\n",
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"elements": [
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"formula_full": "K4 Si8 B4 O24",
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{
"id": "mp-769316",
"created_at": "2022-09-04T14:39:12.028790Z",
"structure_string": "Li10 Nb6 O2 F36\n1.0\n-6.465421 6.465421 4.126245\n6.465421 -6.465421 4.126245\n6.465421 6.465421 -4.126245\nLi Nb O F\n10 6 2 36\ndirect\n0.231313 0.908123 0.156600 Li\n0.731313 0.574713 0.323190 Li\n0.408123 0.731313 0.156600 Li\n0.908123 0.751523 0.676810 Li\n0.869612 0.369612 0.500000 Li\n0.369612 0.869612 0.500000 Li\n0.074713 0.231313 0.323190 Li\n0.574713 0.251523 0.843400 Li\n0.251523 0.408123 0.676810 Li\n0.751523 0.074713 0.843400 Li\n0.245369 0.245369 0.000000 Nb\n0.745369 0.745369 0.000000 Nb\n0.812682 0.312682 0.164222 Nb\n0.312682 0.148460 0.500000 Nb\n0.148460 0.648460 0.835778 Nb\n0.648460 0.812682 0.500000 Nb\n0.028182 0.028182 0.000000 O\n0.528182 0.528182 0.000000 O\n0.431610 0.260055 0.125054 F\n0.931610 0.806557 0.171556 F\n0.762408 0.442447 0.079770 F\n0.262408 0.182638 0.319961 F\n0.639699 0.139699 0.943903 F\n0.139699 0.195796 0.500000 F\n0.580641 0.080641 0.174114 F\n0.080641 0.906527 0.500000 F\n0.790430 0.428848 0.337967 F\n0.290430 0.952463 0.361582 F\n0.069124 0.569124 0.262053 F\n0.569124 0.307071 0.500000 F\n0.942447 0.262408 0.079770 F\n0.442447 0.362677 0.680039 F\n0.260055 0.135001 0.828444 F\n0.760055 0.931610 0.125054 F\n0.928848 0.290430 0.337967 F\n0.428848 0.090881 0.638418 F\n0.952463 0.590881 0.662033 F\n0.452463 0.790430 0.361582 F\n0.806557 0.635001 0.874946 F\n0.306557 0.431610 0.171556 F\n0.682638 0.762408 0.319961 F\n0.182638 0.862677 0.920230 F\n0.307071 0.807071 0.737947 F\n0.807071 0.069124 0.500000 F\n0.590881 0.928848 0.638418 F\n0.090881 0.452463 0.662033 F\n0.906527 0.406527 0.825886 F\n0.406527 0.580641 0.500000 F\n0.195796 0.695796 0.056097 F\n0.695796 0.639699 0.500000 F\n0.362677 0.682638 0.920230 F\n0.862677 0.942447 0.680039 F\n0.635001 0.760055 0.828444 F\n0.135001 0.306557 0.874946 F\n",
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{
"id": "mp-1215175",
"created_at": "2022-09-04T14:39:46.852899Z",
"structure_string": "Zr1 Ti1 W4\n1.0\n0.000000 3.791313 3.791313\n3.791313 0.000000 3.791313\n3.791313 3.791313 0.000000\nZr Ti W\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ti\n0.624944 0.624944 0.125167 W\n0.624944 0.125167 0.624944 W\n0.125167 0.624944 0.624944 W\n0.624944 0.624944 0.624944 W\n",
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{
"id": "mp-774916",
"created_at": "2022-09-04T14:39:16.725800Z",
"structure_string": "Mn3 Cr1 Fe2 P6 O24\n1.0\n7.314057 -4.309429 0.000000\n7.314057 4.309429 0.000000\n4.774950 0.000000 7.019008\nMn Cr Fe P O\n3 1 2 6 24\ndirect\n0.854723 0.854723 0.854723 Mn\n0.641931 0.641931 0.641931 Mn\n0.357668 0.357668 0.357668 Mn\n0.142299 0.142299 0.142299 Cr\n0.998485 0.998485 0.998485 Fe\n0.499002 0.499002 0.499002 Fe\n0.545327 0.959795 0.251876 P\n0.251876 0.545327 0.959795 P\n0.959795 0.251876 0.545327 P\n0.040913 0.750027 0.453037 P\n0.750027 0.453037 0.040913 P\n0.453037 0.040913 0.750027 P\n0.492455 0.881953 0.684888 O\n0.881953 0.684888 0.492455 O\n0.749222 0.941035 0.097338 O\n0.684888 0.492455 0.881953 O\n0.391436 0.994494 0.184285 O\n0.557648 0.759604 0.413998 O\n0.097338 0.749222 0.941035 O\n0.413998 0.557648 0.759604 O\n0.012207 0.817038 0.603218 O\n0.759604 0.413998 0.557648 O\n0.054635 0.910459 0.250357 O\n0.817038 0.603218 0.012207 O\n0.184285 0.391436 0.994494 O\n0.941035 0.097338 0.749222 O\n0.240501 0.589742 0.436007 O\n0.994494 0.184285 0.391436 O\n0.589742 0.436007 0.240501 O\n0.910459 0.250357 0.054635 O\n0.436007 0.240501 0.589742 O\n0.603218 0.012207 0.817038 O\n0.314821 0.509987 0.117587 O\n0.250357 0.054635 0.910459 O\n0.117587 0.314821 0.509987 O\n0.509987 0.117587 0.314821 O\n",
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{
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{
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{
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