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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11502",
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"results": [
{
"id": "mp-753439",
"created_at": "2022-09-04T14:46:24.261686Z",
"structure_string": "Li6 Mn2 V2 P4 H4 O20\n1.0\n4.842520 -2.101602 5.037738\n6.082461 1.934697 -4.854320\n-2.046461 7.329879 0.038277\nLi Mn V P H O\n6 2 2 4 4 20\ndirect\n0.300574 0.832709 0.849087 Li\n0.800674 0.332643 0.849075 Li\n0.609484 0.820648 0.797852 Li\n0.109400 0.320693 0.797769 Li\n0.417776 0.177773 0.169342 Li\n0.917857 0.677679 0.169421 Li\n0.504698 0.497777 0.010561 Mn\n0.004767 0.997854 0.010714 Mn\n0.494309 0.503769 0.494236 V\n0.994329 0.003725 0.494361 V\n0.528792 0.848577 0.234548 P\n0.028681 0.348597 0.234509 P\n0.474954 0.149762 0.773940 P\n0.975048 0.649739 0.774009 P\n0.200541 0.854722 0.356930 H\n0.700546 0.354944 0.356727 H\n0.791871 0.125590 0.639174 H\n0.291845 0.625406 0.639137 H\n0.442357 0.615434 0.708436 O\n0.942362 0.115373 0.708571 O\n0.489195 0.735305 0.380501 O\n0.989319 0.235274 0.380574 O\n0.321351 0.009516 0.667480 O\n0.821512 0.509434 0.667518 O\n0.322297 0.938336 0.085340 O\n0.822141 0.438267 0.085237 O\n0.604895 0.745970 0.106554 O\n0.104889 0.245986 0.106578 O\n0.393035 0.253009 0.895014 O\n0.893117 0.753011 0.895007 O\n0.681240 0.057785 0.905910 O\n0.181342 0.557866 0.905941 O\n0.675616 0.990088 0.340903 O\n0.175417 0.490223 0.340757 O\n0.519516 0.271836 0.635663 O\n0.019472 0.771808 0.635616 O\n0.553904 0.387741 0.295335 O\n0.053982 0.887824 0.295387 O\n",
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"elements": [
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"Mn",
"V",
"P",
"H",
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"formula_full": "Li6 Mn2 V2 P4 H4 O20",
"formula_reduced": "Li3MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E3F10",
"energy": -273.88190756,
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"total_magnetization": 5.4e-06,
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"updated_at": "2021-11-28T01:37:35.480000Z",
"spacegroup": 1
},
{
"id": "mp-1229207",
"created_at": "2022-09-04T14:46:24.318546Z",
"structure_string": "Al4 Si8 O24\n1.0\n9.563469 0.000000 0.000000\n-0.773737 9.547760 0.000000\n-0.854736 -0.830238 9.640413\nAl Si O\n4 8 24\ndirect\n0.114448 0.872545 0.339679 Al\n0.875173 0.341118 0.110468 Al\n0.335429 0.109434 0.877971 Al\n0.894155 0.123667 0.662895 Al\n0.339395 0.874098 0.106247 Si\n0.871805 0.101842 0.332027 Si\n0.105612 0.343186 0.876623 Si\n0.665204 0.120702 0.894493 Si\n0.123532 0.668921 0.901456 Si\n0.124233 0.885824 0.668686 Si\n0.664417 0.895967 0.119046 Si\n0.892256 0.671314 0.118215 Si\n0.020984 0.340321 0.013837 O\n0.335152 0.014182 0.024204 O\n0.014153 0.018672 0.335933 O\n0.980198 0.673334 0.980363 O\n0.662846 0.980347 0.980600 O\n0.986104 0.973064 0.667195 O\n0.738074 0.997386 0.253398 O\n0.254831 0.993213 0.740231 O\n0.003194 0.268563 0.743652 O\n0.993380 0.741454 0.252430 O\n0.259927 0.739772 0.003430 O\n0.739152 0.254034 0.995744 O\n0.837843 0.514137 0.148280 O\n0.150909 0.507880 0.852222 O\n0.508058 0.153748 0.842501 O\n0.504044 0.840851 0.144410 O\n0.150451 0.833681 0.511371 O\n0.838896 0.141627 0.490480 O\n0.261579 0.891161 0.246763 O\n0.893618 0.242181 0.252368 O\n0.244695 0.259458 0.892628 O\n0.755532 0.096528 0.764054 O\n0.103308 0.752558 0.762946 O\n0.757413 0.763228 0.093153 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Si",
"density": 1.3517947032603717,
"density_atomic": 0.04089685511551602,
"volume": 880.2632842627015,
"volume_molar": 14.725192788027448,
"formula_full": "Al4 Si8 O24",
"formula_reduced": "Al(SiO3)2",
"formula_anonymous": "AB2C6",
"energy": -285.59950615,
"energy_per_atom": -7.933319615277778,
"energy_above_hull": null,
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"energy_uncorrected": -269.11150615,
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"total_magnetization": 3.9995246,
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"updated_at": "2021-11-28T01:37:32.556000Z",
"spacegroup": 1
},
{
"id": "mp-772407",
"created_at": "2022-09-04T14:46:24.407680Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n9.789407 0.000000 0.000000\n4.864983 8.509280 0.000000\n0.106944 0.033977 13.964129\nLi V P O\n12 6 16 58\ndirect\n0.097961 0.666259 0.558454 Li\n0.328186 0.329482 0.889473 Li\n0.224873 0.691400 0.063424 Li\n0.690013 0.087368 0.063279 Li\n0.338640 0.765736 0.437942 Li\n0.668133 0.236835 0.559155 Li\n0.314024 0.911770 0.938596 Li\n0.776900 0.316739 0.945256 Li\n0.903050 0.336309 0.436846 Li\n0.765361 0.902104 0.439179 Li\n0.907697 0.775323 0.943647 Li\n0.031495 0.020536 0.500557 Li\n0.433885 0.566772 0.250613 V\n0.564593 0.433793 0.750881 V\n0.428739 0.001344 0.745237 V\n0.562291 0.998613 0.251590 V\n0.000455 0.430996 0.247221 V\n0.998396 0.563105 0.748139 V\n0.087605 0.226706 0.837990 P\n0.220023 0.083776 0.338662 P\n0.086245 0.683463 0.341867 P\n0.336094 0.331719 0.130096 P\n0.332487 0.336436 0.629931 P\n0.227974 0.678712 0.843338 P\n0.315024 0.770367 0.658489 P\n0.677993 0.089469 0.843340 P\n0.318540 0.912908 0.154410 P\n0.685383 0.226206 0.343208 P\n0.769219 0.320733 0.159741 P\n0.666862 0.667184 0.372430 P\n0.664313 0.667471 0.870216 P\n0.915092 0.310446 0.653039 P\n0.772187 0.915390 0.657625 P\n0.911818 0.769166 0.158732 P\n0.988145 0.225954 0.561005 O\n0.078589 0.253354 0.339788 O\n0.249634 0.990991 0.062029 O\n0.254823 0.079093 0.840371 O\n0.111669 0.372161 0.824415 O\n0.190841 0.328916 0.173583 O\n0.085878 0.528241 0.330285 O\n0.003934 0.754211 0.068608 O\n0.076284 0.668283 0.845814 O\n0.322172 0.195920 0.673410 O\n0.377246 0.083647 0.332606 O\n0.186180 0.493154 0.671081 O\n0.341339 0.330740 0.022673 O\n0.336562 0.346052 0.523533 O\n0.331898 0.484907 0.167387 O\n0.512561 0.109839 0.825723 O\n0.488665 0.183014 0.170297 O\n0.256131 0.657317 0.341201 O\n0.208638 0.788474 0.751868 O\n0.223283 0.777954 0.569782 O\n0.251049 0.751789 0.931689 O\n0.368900 0.511039 0.825118 O\n0.487857 0.327297 0.672523 O\n0.334354 0.746493 0.161921 O\n0.529003 0.378602 0.330352 O\n0.664560 0.080856 0.343423 O\n0.200174 0.009428 0.240627 O\n0.206849 0.989541 0.419946 O\n0.771252 0.004776 0.568704 O\n0.341623 0.912538 0.662244 O\n0.470597 0.615594 0.668285 O\n0.662960 0.253618 0.846842 O\n0.510831 0.678971 0.334169 O\n0.619033 0.480938 0.179208 O\n0.752994 0.245889 0.070507 O\n0.776947 0.225012 0.430830 O\n0.791745 0.206912 0.249198 O\n0.747781 0.332976 0.662520 O\n0.515838 0.814399 0.830251 O\n0.480155 0.897929 0.176233 O\n0.662592 0.517269 0.829133 O\n0.674045 0.662297 0.976577 O\n0.667577 0.674363 0.479370 O\n0.810642 0.511904 0.332841 O\n0.619193 0.910881 0.672728 O\n0.677515 0.812719 0.329464 O\n0.913003 0.343813 0.160367 O\n0.014206 0.200294 0.741293 O\n0.988698 0.239656 0.921867 O\n0.913977 0.467271 0.665636 O\n0.816442 0.662725 0.824501 O\n0.895831 0.623495 0.178414 O\n0.750023 0.919038 0.158882 O\n0.754472 0.995040 0.932051 O\n0.788608 0.003459 0.751435 O\n0.917453 0.749972 0.657679 O\n0.000291 0.774223 0.430677 O\n0.004700 0.789621 0.248480 O\n",
"nsites": 92,
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"elements": [
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"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.587383477712938,
"density_atomic": 0.07909058280868282,
"volume": 1163.22318957422,
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"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
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"energy": -695.5699825600001,
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"updated_at": "2021-11-28T01:37:34.254000Z",
"spacegroup": 1
},
{
"id": "mp-626210",
"created_at": "2022-09-04T14:46:24.452340Z",
"structure_string": "Sr1 H16 O10\n1.0\n5.978275 0.000000 0.000000\n0.046005 6.508993 0.000000\n0.046903 0.041277 6.709603\nSr H O\n1 16 10\ndirect\n0.986560 0.014124 0.019260 Sr\n0.692955 0.655135 0.331917 H\n0.724630 0.651288 0.093332 H\n0.695467 0.331873 0.676921 H\n0.700395 0.088176 0.686204 H\n0.712348 0.676803 0.687372 H\n0.555723 0.794004 0.826569 H\n0.729280 0.338242 0.345521 H\n0.579460 0.220555 0.203591 H\n0.275087 0.328019 0.672228 H\n0.396307 0.222771 0.844652 H\n0.429530 0.812825 0.216113 H\n0.275854 0.697023 0.358598 H\n0.286076 0.090113 0.315634 H\n0.305599 0.335648 0.342270 H\n0.293565 0.677531 0.670060 H\n0.272211 0.923104 0.689166 H\n0.624529 0.512373 0.516542 O\n0.371965 0.505191 0.511838 O\n0.717846 0.744915 0.206720 O\n0.719949 0.209212 0.769814 O\n0.719317 0.777330 0.802129 O\n0.740919 0.239372 0.231461 O\n0.249750 0.219514 0.779227 O\n0.271527 0.818599 0.264358 O\n0.282946 0.221412 0.241091 O\n0.263769 0.796148 0.767487 O\n",
"nsites": 27,
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"elements": [
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"H",
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],
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"volume": 261.08776307027284,
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"formula_full": "Sr1 H16 O10",
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"formula_anonymous": "AB10C16",
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"updated_at": "2021-11-28T01:37:32.996000Z",
"spacegroup": 1
},
{
"id": "mp-1245285",
"created_at": "2022-09-04T14:46:24.491677Z",
"structure_string": "Ta30 O75\n1.0\n11.313623 -0.212654 0.022676\n-0.231784 12.032829 -0.666698\n0.044459 -0.646983 12.038876\nTa O\n30 75\ndirect\n0.190374 0.647444 0.366099 Ta\n0.908678 0.408942 0.832643 Ta\n0.579435 0.934279 0.666468 Ta\n0.016199 0.422562 0.339599 Ta\n0.058316 0.772047 0.117662 Ta\n0.351417 0.712900 0.650309 Ta\n0.790293 0.836585 0.061696 Ta\n0.991941 0.240219 0.566194 Ta\n0.265047 0.693296 0.934105 Ta\n0.440089 0.026699 0.420879 Ta\n0.809853 0.630834 0.904069 Ta\n0.615725 0.634927 0.661125 Ta\n0.216406 0.394251 0.948648 Ta\n0.268753 0.979946 0.883647 Ta\n0.484920 0.155753 0.075745 Ta\n0.386388 0.862904 0.153961 Ta\n0.485137 0.509226 0.865485 Ta\n0.322729 0.242944 0.522440 Ta\n0.280244 0.353638 0.237197 Ta\n0.041070 0.144757 0.032370 Ta\n0.866474 0.691326 0.460056 Ta\n0.442307 0.576448 0.149860 Ta\n0.720651 0.481406 0.250050 Ta\n0.966699 0.904875 0.852187 Ta\n0.891446 0.935751 0.548499 Ta\n0.584108 0.348008 0.494958 Ta\n0.734413 0.251988 0.006348 Ta\n0.983014 0.992926 0.267855 Ta\n0.668770 0.058544 0.218565 Ta\n0.434962 0.187433 0.808820 Ta\n0.314432 0.281756 0.892003 O\n0.414054 0.379856 0.534631 O\n0.417193 0.077019 0.938590 O\n0.917310 0.919667 0.705683 O\n0.985217 0.797166 0.530209 O\n0.482108 0.191118 0.448234 O\n0.484238 0.749364 0.173514 O\n0.189430 0.488730 0.354901 O\n0.244573 0.693519 0.775074 O\n0.898716 0.748335 0.844937 O\n0.988684 0.067226 0.894867 O\n0.767649 0.656884 0.576549 O\n0.849624 0.496256 0.966952 O\n0.452157 0.613643 0.741715 O\n0.935998 0.334801 0.680486 O\n0.690279 0.726536 0.981194 O\n0.080871 0.694210 0.261651 O\n0.792204 0.291652 0.865766 O\n0.801505 0.832373 0.435992 O\n0.929569 0.102716 0.594402 O\n0.395321 0.214242 0.661802 O\n0.465847 0.000144 0.121545 O\n0.070893 0.418682 0.868064 O\n0.893462 0.698860 0.055780 O\n0.043634 0.109348 0.183980 O\n0.501528 0.478877 0.016950 O\n0.998758 0.573793 0.425252 O\n0.868142 0.536093 0.767038 O\n0.403898 0.648687 0.000667 O\n0.553917 0.069952 0.756345 O\n0.650968 0.403148 0.358810 O\n0.967648 0.310489 0.432094 O\n0.117654 0.651042 -0.005509 O\n0.887117 0.433624 0.249210 O\n0.901179 0.860324 0.196021 O\n0.266820 0.460035 0.092743 O\n0.113878 0.906520 0.224280 O\n0.189702 0.057549 0.000913 O\n0.988296 0.994160 0.422459 O\n0.825160 0.076927 0.263890 O\n0.617690 0.485415 0.590265 O\n0.646917 0.579434 0.819897 O\n0.565499 0.187621 0.221884 O\n0.337925 0.850978 0.944169 O\n0.487823 0.944831 0.533202 O\n0.412157 0.458013 0.249715 O\n0.280833 0.281507 0.365849 O\n0.365393 0.922461 0.303863 O\n0.301853 0.508749 0.870337 O\n0.133962 0.898667 0.814840 O\n0.242323 0.781955 0.106914 O\n0.300599 0.077398 0.772432 O\n0.114425 0.279056 0.009931 O\n0.669006 0.109671 0.054820 O\n0.105725 0.341237 0.225479 O\n0.823988 0.936430 0.958888 O\n0.788292 0.615645 0.327543 O\n0.319512 0.650310 0.273638 O\n0.594101 0.017687 0.347862 O\n0.352393 0.239757 0.135570 O\n0.883587 0.209963 0.052516 O\n0.709515 0.372759 0.114055 O\n0.555288 0.242103 0.958056 O\n0.725327 0.966599 0.599232 O\n0.601101 0.571655 0.196470 O\n0.691897 0.268358 0.551896 O\n0.402039 0.856091 0.701538 O\n0.631139 0.800428 0.720461 O\n0.156373 0.256569 0.579900 O\n0.290338 0.082238 0.470080 O\n0.035536 0.868310 0.006688 O\n0.497141 0.679493 0.562705 O\n0.249847 0.700850 0.516861 O\n0.673165 0.906072 0.152163 O\n0.499236 0.366909 0.801186 O\n",
"nsites": 105,
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"volume": 1633.4352063905235,
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"formula_full": "Ta30 O75",
"formula_reduced": "Ta2O5",
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"energy": -1059.67024264,
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"spacegroup": 1
},
{
"id": "mp-1191643",
"created_at": "2022-09-04T14:46:24.669711Z",
"structure_string": "Ba8 Cu1 Si16\n1.0\n0.320487 -7.201307 0.107756\n-8.422213 0.429154 -0.095294\n-0.119577 0.172025 -12.162838\nBa Cu Si\n8 1 16\ndirect\n0.768786 0.016138 0.299331 Ba\n0.264094 0.510863 0.788597 Ba\n0.271025 0.002612 0.706703 Ba\n0.676010 0.518725 0.231243 Ba\n0.742276 0.196330 0.906433 Ba\n0.223604 0.336561 0.427065 Ba\n0.293710 0.771798 0.094647 Ba\n0.711719 0.705677 0.579533 Ba\n0.030244 0.968878 0.976555 Cu\n0.717974 0.568706 0.913624 Si\n0.231065 0.945417 0.428793 Si\n0.272164 0.383866 0.074926 Si\n0.692497 0.099614 0.578395 Si\n0.757498 0.808712 0.026967 Si\n0.218381 0.692047 0.532946 Si\n0.284246 0.164430 0.948708 Si\n0.729394 0.336263 0.475235 Si\n0.916308 0.790235 0.840147 Si\n0.056719 0.700729 0.360326 Si\n0.461117 0.170846 0.126047 Si\n0.574861 0.325766 0.646001 Si\n0.133986 0.111058 0.135769 Si\n0.992766 0.333820 0.179364 Si\n0.586803 0.813586 0.855035 Si\n0.392752 0.727324 0.367611 Si\n",
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"elements": [
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],
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"id": "mp-758444",
"created_at": "2022-09-04T14:46:24.886516Z",
"structure_string": "Li7 V4 O11 F1\n1.0\n5.034630 0.000000 0.000000\n2.492351 4.487352 0.000000\n1.895250 0.011525 9.660371\nLi V O F\n7 4 11 1\ndirect\n0.690347 0.149676 0.496316 Li\n0.516837 0.486058 0.992673 Li\n0.832188 0.851055 0.999283 Li\n0.085472 0.828856 0.250256 Li\n0.009487 0.491641 0.499534 Li\n0.150019 0.164883 0.004133 Li\n0.310934 0.853459 0.503491 Li\n0.226158 0.494529 0.754132 V\n0.421015 0.156252 0.250414 V\n0.579391 0.862494 0.756851 V\n0.743991 0.509717 0.250899 V\n0.757760 0.183277 0.134650 O\n0.502715 0.167957 0.870338 O\n0.414114 0.474385 0.362627 O\n0.327883 0.182909 0.636603 O\n0.947203 0.793831 0.633545 O\n0.872677 0.543495 0.871550 O\n0.108545 0.476676 0.139623 O\n0.058089 0.183071 0.367088 O\n0.689448 0.833616 0.363815 O\n0.474196 0.832265 0.138295 O\n0.265919 0.780114 0.854274 O\n0.599211 0.532586 0.619610 F\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.4036115679138907,
"density_atomic": 0.10538440141485406,
"volume": 218.24861830792847,
"volume_molar": 5.714451739677644,
"formula_full": "Li7 V4 O11 F1",
"formula_reduced": "Li7V4O11F",
"formula_anonymous": "AB4C7D11",
"energy": -163.82250347,
"energy_per_atom": -7.122717542173913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.00350347,
"band_gap": 1.3348999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0006426,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.575000Z",
"spacegroup": 1
}
]
}