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{
"id": "mp-1193971",
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"structure_string": "In3 Co20 B6\n1.0\n0.000000 5.342252 5.342252\n5.342252 0.000000 5.342252\n5.342252 5.342252 0.000000\nIn Co B\n3 20 6\ndirect\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n0.613321 0.613321 0.160038 Co\n0.613321 0.160038 0.613321 Co\n0.160038 0.613321 0.613321 Co\n0.613321 0.613321 0.613321 Co\n0.386679 0.386679 0.839962 Co\n0.386679 0.839962 0.386679 Co\n0.839962 0.386679 0.386679 Co\n0.386679 0.386679 0.386679 Co\n0.000000 0.000000 0.344453 Co\n0.655547 0.000000 0.344453 Co\n0.000000 0.655547 0.344453 Co\n0.655547 0.344453 0.000000 Co\n0.000000 0.344453 0.000000 Co\n0.000000 0.344453 0.655547 Co\n0.344453 0.655547 0.000000 Co\n0.344453 0.000000 0.655547 Co\n0.344453 0.000000 0.000000 Co\n0.000000 0.000000 0.655547 Co\n0.000000 0.655547 0.000000 Co\n0.655547 0.000000 0.000000 Co\n0.724082 0.724082 0.275918 B\n0.275918 0.724082 0.275918 B\n0.724082 0.275918 0.275918 B\n0.275918 0.275918 0.724082 B\n0.724082 0.275918 0.724082 B\n0.275918 0.724082 0.724082 B\n",
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{
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"structure_string": "Na2 Ge4 P6 O24\n1.0\n7.617478 -4.175230 0.000000\n7.617478 4.175230 0.000000\n5.328985 0.000000 6.860061\nNa Ge P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.354670 0.354670 0.354670 Ge\n0.145330 0.145330 0.145330 Ge\n0.854670 0.854670 0.854670 Ge\n0.645330 0.645330 0.645330 Ge\n0.464543 0.750000 0.035457 P\n0.035457 0.464543 0.750000 P\n0.535457 0.250000 0.964543 P\n0.964543 0.535457 0.250000 P\n0.750000 0.035457 0.464543 P\n0.250000 0.964543 0.535457 P\n0.430821 0.777969 0.559069 O\n0.559069 0.430821 0.777969 O\n0.777969 0.559069 0.430821 O\n0.069179 0.940931 0.722031 O\n0.722031 0.069179 0.940931 O\n0.940931 0.722031 0.069179 O\n0.569179 0.222031 0.440931 O\n0.440931 0.569179 0.222031 O\n0.222031 0.440931 0.569179 O\n0.930821 0.059069 0.277969 O\n0.277969 0.930821 0.059069 O\n0.059069 0.277969 0.930821 O\n0.986172 0.359235 0.228688 O\n0.359235 0.228689 0.986172 O\n0.228688 0.986172 0.359235 O\n0.140765 0.513828 0.271312 O\n0.513828 0.271311 0.140765 O\n0.271312 0.140765 0.513828 O\n0.013828 0.640765 0.771311 O\n0.640765 0.771311 0.013828 O\n0.771312 0.013828 0.640765 O\n0.859235 0.486172 0.728689 O\n0.486172 0.728689 0.859235 O\n0.728689 0.859235 0.486172 O\n",
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"formula_full": "Na2 Ge4 P6 O24",
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},
{
"id": "mp-1216325",
"created_at": "2022-09-04T14:39:39.964919Z",
"structure_string": "V1 Ga1\n1.0\n1.388186 -2.404409 0.000000\n1.388186 2.404409 0.000000\n0.000000 0.000000 4.354836\nV Ga\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.333333 0.666667 0.500000 Ga\n",
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{
"id": "mp-1234698",
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"structure_string": "Y1 Th9 Mg1 O20\n1.0\n6.565028 -0.003168 4.539592\n-0.895392 6.418283 18.955973\n-0.021837 -0.028106 10.623890\nY Th Mg O\n1 9 1 20\ndirect\n0.963650 0.981051 0.084955 Y\n0.004754 0.198522 0.998768 Th\n0.507202 0.004132 0.986820 Th\n0.000350 0.420149 0.956961 Th\n0.496875 0.198639 0.005558 Th\n0.004268 0.588011 0.016504 Th\n0.510812 0.410170 0.976818 Th\n0.000467 0.799077 0.991441 Th\n0.499371 0.597405 0.003625 Th\n0.512048 0.795999 0.998241 Th\n0.189761 0.081643 0.606799 Mg\n0.123957 0.154742 0.231939 O\n0.128807 0.345733 0.250526 O\n0.639767 0.152952 0.238793 O\n0.370330 0.055002 0.737312 O\n0.127653 0.545753 0.251817 O\n0.630715 0.353064 0.236685 O\n0.382074 0.248878 0.744173 O\n0.122375 0.767396 0.218881 O\n0.884954 0.059235 0.724234 O\n0.125436 0.943866 0.264720 O\n0.628780 0.544931 0.255798 O\n0.379626 0.465967 0.715161 O\n0.872677 0.246734 0.759367 O\n0.380627 0.649739 0.743885 O\n0.630734 0.757080 0.232143 O\n0.621790 0.946989 0.257578 O\n0.880547 0.461191 0.724963 O\n0.378884 0.839757 0.761471 O\n0.872698 0.644628 0.763239 O\n0.878010 0.841562 0.760823 O\n",
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},
{
"id": "mp-865920",
"created_at": "2022-09-04T14:39:39.823480Z",
"structure_string": "Yb1 Pm1 Zn2\n1.0\n0.000000 3.631462 3.631462\n3.631462 0.000000 3.631462\n3.631462 3.631462 0.000000\nYb Pm Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
"id": "mp-541777",
"created_at": "2022-09-04T14:39:39.847923Z",
"structure_string": "Sr2 Mn2 V4 Ag4 O16\n1.0\n5.690786 0.000000 0.000000\n2.845393 5.006789 -0.078109\n0.000000 0.022503 13.932502\nSr Mn V Ag O\n2 2 4 4 16\ndirect\n0.917169 0.000000 0.250000 Sr\n0.082831 0.000000 0.750000 Sr\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.365452 0.347009 0.869914 V\n0.712460 0.652991 0.630086 V\n0.634548 0.652991 0.130086 V\n0.287540 0.347009 0.369914 V\n0.611795 0.678260 0.404079 Ag\n0.290055 0.321740 0.095921 Ag\n0.388205 0.321740 0.595921 Ag\n0.709945 0.678260 0.904079 Ag\n0.579774 0.223368 0.441634 O\n0.803142 0.776632 0.058366 O\n0.420226 0.776632 0.558366 O\n0.196858 0.223368 0.941634 O\n0.724651 0.673018 0.246830 O\n0.397668 0.326982 0.253170 O\n0.275349 0.326982 0.753170 O\n0.602332 0.673018 0.746830 O\n0.749457 0.316503 0.099207 O\n0.065960 0.683497 0.400793 O\n0.250543 0.683497 0.900793 O\n0.934040 0.316503 0.599207 O\n0.280726 0.850717 0.118872 O\n0.131443 0.149283 0.381128 O\n0.719274 0.149283 0.881128 O\n0.868557 0.850717 0.618872 O\n",
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"formula_full": "Sr2 Mn2 V4 Ag4 O16",
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"spacegroup": 15
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{
"id": "mp-1195016",
"created_at": "2022-09-04T14:39:39.854526Z",
"structure_string": "Ba4 Te16 O36\n1.0\n2.300110 9.990152 0.000000\n-2.300110 9.990152 0.000000\n0.000000 9.165278 21.691781\nBa Te O\n4 16 36\ndirect\n0.501404 0.081307 0.659072 Ba\n0.918693 0.498596 0.840928 Ba\n0.498596 0.918693 0.340928 Ba\n0.081307 0.501404 0.159072 Ba\n0.713338 0.681583 0.550364 Te\n0.318417 0.286662 0.949636 Te\n0.286662 0.318417 0.449636 Te\n0.681583 0.713338 0.050364 Te\n0.780019 0.444552 0.719184 Te\n0.555448 0.219981 0.780816 Te\n0.219981 0.555448 0.280816 Te\n0.444552 0.780019 0.219184 Te\n0.212734 0.866225 0.847333 Te\n0.133775 0.787266 0.652667 Te\n0.787266 0.133775 0.152667 Te\n0.866225 0.212734 0.347333 Te\n0.767116 0.065359 0.008587 Te\n0.934641 0.232884 0.491413 Te\n0.232884 0.934641 0.991413 Te\n0.065359 0.767116 0.508587 Te\n0.086810 0.434292 0.552327 O\n0.565708 0.913190 0.947673 O\n0.913190 0.565708 0.447673 O\n0.434292 0.086810 0.052327 O\n0.644421 0.131041 0.934529 O\n0.868959 0.355579 0.565471 O\n0.355579 0.868959 0.065471 O\n0.131041 0.644421 0.434529 O\n0.592311 0.740302 0.639268 O\n0.259698 0.407689 0.860732 O\n0.407689 0.259698 0.360732 O\n0.740302 0.592311 0.139268 O\n0.834131 0.280978 0.818086 O\n0.719022 0.165869 0.681914 O\n0.165869 0.719022 0.181914 O\n0.280978 0.834131 0.318086 O\n0.927844 0.476486 0.724618 O\n0.523514 0.072156 0.775382 O\n0.072156 0.523514 0.275382 O\n0.476486 0.927844 0.224618 O\n0.354846 0.897460 0.858480 O\n0.102540 0.645154 0.641520 O\n0.645154 0.102540 0.141520 O\n0.897460 0.354846 0.358480 O\n0.004259 0.007731 0.943431 O\n0.992269 0.995741 0.556569 O\n0.995741 0.992269 0.056569 O\n0.007731 0.004259 0.443431 O\n0.366518 0.809910 0.753697 O\n0.190090 0.633482 0.746303 O\n0.633482 0.190090 0.246303 O\n0.809910 0.366518 0.253697 O\n0.055956 0.670700 0.031508 O\n0.329300 0.944044 0.468492 O\n0.944044 0.329300 0.968492 O\n0.670700 0.055956 0.531508 O\n",
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"formula_full": "Ba4 Te16 O36",
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{
"id": "mp-1093539",
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"structure_string": "Ca2 Al1 Zn1\n1.0\n-6.090680 6.122124 8.590928\n6.090680 -6.122124 8.590928\n6.090680 6.122124 -8.590928\nCa Al Zn\n2 1 1\ndirect\n0.240109 0.000000 0.240109 Ca\n0.759891 0.000000 0.759891 Ca\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Zn\n",
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{
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"structure_string": "Al8 Sb8\n1.0\n7.612633 0.000000 0.000000\n0.000000 7.612633 0.000000\n0.000000 0.000000 7.612633\nAl Sb\n8 8\ndirect\n0.343055 0.343055 0.343055 Al\n0.156945 0.656945 0.843055 Al\n0.843055 0.156945 0.656945 Al\n0.656945 0.843055 0.156945 Al\n0.656945 0.656945 0.656945 Al\n0.843055 0.343055 0.156945 Al\n0.156945 0.843055 0.343055 Al\n0.343055 0.156945 0.843055 Al\n0.140905 0.140905 0.140905 Sb\n0.359095 0.859095 0.640905 Sb\n0.640905 0.359095 0.859095 Sb\n0.859095 0.640905 0.359095 Sb\n0.859095 0.859095 0.859095 Sb\n0.640905 0.140905 0.359095 Sb\n0.359095 0.640905 0.140905 Sb\n0.140905 0.359095 0.640905 Sb\n",
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{
"id": "mp-1195375",
"created_at": "2022-09-04T14:39:40.008631Z",
"structure_string": "Na54 Yb18 Si36 O126\n1.0\n0.000927 0.001606 -13.982241\n-8.253109 -14.294805 0.002197\n-8.252109 14.294228 -0.001099\nNa Yb Si O\n54 18 36 126\ndirect\n0.263793 0.342015 0.339430 Na\n0.263827 0.997375 0.657937 Na\n0.263756 0.660640 0.002560 Na\n0.763793 0.002586 0.660570 Na\n0.763826 0.339438 0.342063 Na\n0.763756 0.658080 0.997440 Na\n0.095783 0.232140 0.452693 Na\n0.095728 0.220630 0.767897 Na\n0.095788 0.547480 0.779518 Na\n0.595783 0.779448 0.547307 Na\n0.595728 0.452733 0.232103 Na\n0.595788 0.767962 0.220482 Na\n0.080172 0.543839 0.107730 Na\n0.080196 0.563970 0.456181 Na\n0.080160 0.892206 0.436063 Na\n0.580172 0.436109 0.892270 Na\n0.580196 0.107789 0.543819 Na\n0.580160 0.456143 0.563937 Na\n0.246166 0.004348 0.325498 Na\n0.246100 0.321173 0.995615 Na\n0.246010 0.674507 0.678946 Na\n0.746166 0.678850 0.674502 Na\n0.746100 0.325558 0.004385 Na\n0.746010 0.995561 0.321054 Na\n0.421452 0.233026 0.109444 Na\n0.421446 0.876445 0.767028 Na\n0.421510 0.890468 0.123555 Na\n0.921452 0.123582 0.890556 Na\n0.921446 0.109418 0.232972 Na\n0.921510 0.766913 0.876445 Na\n0.098565 0.216679 0.104099 Na\n0.098668 0.887299 0.783420 Na\n0.098620 0.895807 0.112426 Na\n0.598565 0.112581 0.895901 Na\n0.598668 0.103879 0.216580 Na\n0.598620 0.783380 0.887574 Na\n0.417236 0.554247 0.110647 Na\n0.417173 0.556412 0.445780 Na\n0.417165 0.889345 0.443536 Na\n0.917236 0.443599 0.889353 Na\n0.917173 0.110632 0.554220 Na\n0.917165 0.445810 0.556464 Na\n0.414967 0.241547 0.439618 Na\n0.414988 0.198047 0.758476 Na\n0.415011 0.560467 0.802002 Na\n0.914967 0.801929 0.560382 Na\n0.914988 0.439571 0.241524 Na\n0.915011 0.758465 0.197998 Na\n0.002571 0.333383 0.666732 Na\n0.502571 0.666651 0.333268 Na\n0.508250 0.333338 0.666700 Na\n0.008250 0.666638 0.333300 Na\n0.497753 0.999910 0.000007 Na\n0.997753 0.999903 0.999993 Na\n0.499586 0.007558 0.328325 Yb\n0.499551 0.320778 0.992423 Yb\n0.499560 0.671622 0.679212 Yb\n0.999586 0.679233 0.671675 Yb\n0.999551 0.328355 0.007577 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Si\n0.361163 0.433740 0.890267 Si\n0.361124 0.456672 0.566360 Si\n0.861184 0.566348 0.456632 Si\n0.861163 0.543473 0.109733 Si\n0.861124 0.890312 0.433640 Si\n0.147062 0.443408 0.222492 Si\n0.147033 0.779075 0.556591 Si\n0.146999 0.777504 0.220909 Si\n0.647062 0.220917 0.777508 Si\n0.647033 0.222484 0.443409 Si\n0.646999 0.556595 0.779091 Si\n0.362465 0.442998 0.214604 Si\n0.362504 0.771565 0.556998 Si\n0.362536 0.785382 0.228400 Si\n0.862465 0.228393 0.785396 Si\n0.862504 0.214566 0.443002 Si\n0.862536 0.556981 0.771600 Si\n0.262340 0.116049 0.264064 O\n0.262365 0.148001 0.883935 O\n0.262391 0.735917 0.852021 O\n0.762340 0.851986 0.735936 O\n0.762365 0.264066 0.116065 O\n0.762391 0.883896 0.147979 O\n0.135460 0.040593 0.120730 O\n0.135438 0.080027 0.959354 O\n0.135508 0.879292 0.919868 O\n0.635460 0.919862 0.879270 O\n0.635438 0.120673 0.040646 O\n0.635508 0.959423 0.080132 O\n0.123551 0.223509 0.247108 O\n0.123498 0.023533 0.776424 O\n0.123622 0.752898 0.976412 O\n0.623551 0.976401 0.752892 O\n0.623498 0.247109 0.223576 O\n0.623622 0.776486 0.023588 O\n0.084953 0.097383 0.299565 O\n0.085002 0.202253 0.902660 O\n0.085095 0.700439 0.797785 O\n0.584953 0.797819 0.700435 O\n0.585002 0.299593 0.097340 O\n0.585095 0.902653 0.202215 O\n0.355531 0.103404 0.111337 O\n0.355482 0.007919 0.896564 O\n0.355570 0.888607 0.992125 O\n0.855531 0.992067 0.888664 O\n0.855482 0.111355 0.103436 O\n0.855570 0.896483 0.007875 O\n0.398325 0.236897 0.283772 O\n0.398336 0.046870 0.763113 O\n0.398353 0.716218 0.953122 O\n0.898325 0.953126 0.716228 O\n0.898336 0.283757 0.236887 O\n0.898353 0.763096 0.046878 O\n0.442080 0.057902 0.229695 O\n0.442147 0.171848 0.942102 O\n0.442116 0.770289 0.828237 O\n0.942080 0.828207 0.770305 O\n0.942147 0.229746 0.057898 O\n0.942116 0.942052 0.171763 O\n0.253933 0.069548 0.491335 O\n0.253913 0.421826 0.930470 O\n0.253915 0.508639 0.578216 O\n0.753933 0.578213 0.508665 O\n0.753913 0.491356 0.069530 O\n0.753915 0.930423 0.421784 O\n0.066127 0.049144 0.465298 O\n0.066019 0.416140 0.950918 O\n0.066014 0.534735 0.583897 O\n0.566127 0.583846 0.534702 O\n0.566019 0.465222 0.049082 O\n0.566014 0.950838 0.416103 O\n0.133858 0.216887 0.585561 O\n0.133793 0.368659 0.783094 O\n0.133775 0.414427 0.631400 O\n0.633858 0.631325 0.414439 O\n0.633793 0.585565 0.216906 O\n0.633775 0.783027 0.368600 O\n0.140332 0.076463 0.626137 O\n0.140358 0.549698 0.923485 O\n0.140318 0.373849 0.450328 O\n0.640332 0.450326 0.373863 O\n0.640358 0.626213 0.076515 O\n0.640318 0.923520 0.549672 O\n0.427742 0.114965 0.465132 O\n0.427727 0.350123 0.884998 O\n0.427703 0.534816 0.649881 O\n0.927742 0.649833 0.534868 O\n0.927727 0.465125 0.115002 O\n0.927703 0.884934 0.350119 O\n0.351692 0.212447 0.636958 O\n0.351711 0.424574 0.787592 O\n0.351624 0.362954 0.575448 O\n0.851692 0.575488 0.363042 O\n0.851711 0.636981 0.212408 O\n0.851624 0.787505 0.424552 O\n0.402798 0.036283 0.574181 O\n0.402849 0.537897 0.963693 O\n0.402811 0.425808 0.462085 O\n0.902798 0.462102 0.425819 O\n0.902849 0.574203 0.036307 O\n0.902811 0.963723 0.537915 O\n0.256869 0.422131 0.250571 O\n0.256893 0.828489 0.577892 O\n0.256877 0.749388 0.171515 O\n0.756869 0.171560 0.749429 O\n0.756893 0.250597 0.422108 O\n0.756877 0.577873 0.828485 O\n0.125230 0.365025 0.113497 O\n0.125262 0.748511 0.634962 O\n0.125257 0.886437 0.251468 O\n0.625230 0.251528 0.886503 O\n0.625262 0.113548 0.365038 O\n0.625257 0.634969 0.748532 O\n0.144750 0.549762 0.238807 O\n0.144768 0.689126 0.450263 O\n0.144718 0.761146 0.310878 O\n0.644750 0.310954 0.761193 O\n0.644768 0.238863 0.549737 O\n0.644718 0.450268 0.689122 O\n0.071918 0.437762 0.295157 O\n0.071932 0.857399 0.562236 O\n0.071958 0.704861 0.142574 O\n0.571918 0.142605 0.704843 O\n0.571932 0.295163 0.437764 O\n0.571958 0.562287 0.857426 O\n0.374279 0.373776 0.101862 O\n0.374223 0.728117 0.626212 O\n0.374273 0.898082 0.271868 O\n0.874279 0.271914 0.898138 O\n0.874223 0.101905 0.373788 O\n0.874273 0.626214 0.728132 O\n0.367846 0.552588 0.241890 O\n0.367798 0.689359 0.447460 O\n0.367817 0.758096 0.310628 O\n0.867846 0.310698 0.758110 O\n0.867799 0.241899 0.552540 O\n0.867817 0.447468 0.689372 O\n0.443667 0.424362 0.274634 O\n0.443670 0.850265 0.575627 O\n0.443650 0.725396 0.149737 O\n0.943667 0.149729 0.725366 O\n0.943670 0.274638 0.424373 O\n0.943650 0.575659 0.850263 O\n",
"nsites": 234,
"nelements": 4,
"elements": [
"Na",
"Yb",
"Si",
"O"
],
"chemical_system": "Na-O-Si-Yb",
"density": 3.7164171193946443,
"density_atomic": 0.07093300310419995,
"volume": 3298.887538375558,
"volume_molar": 8.489899618592954,
"formula_full": "Na54 Yb18 Si36 O126",
"formula_reduced": "Na3YbSi2O7",
"formula_anonymous": "AB2C3D7",
"energy": -1573.39376267,
"energy_per_atom": -6.723904968675213,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1486.83176267,
"band_gap": 0.0069,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 17.9999787,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.987000Z",
"spacegroup": 159
},
{
"id": "mp-760247",
"created_at": "2022-09-04T14:39:40.019462Z",
"structure_string": "Na4 Fe2 O6\n1.0\n2.682596 4.655496 -0.006116\n-2.682438 4.655405 0.006293\n-1.831658 0.000073 5.477897\nNa Fe O\n4 2 6\ndirect\n0.158606 0.158588 0.500005 Na\n0.841394 0.841388 0.499996 Na\n0.500003 0.499995 0.500001 Na\n0.000003 0.999998 0.999999 Na\n0.666590 0.666629 0.999990 Fe\n0.333392 0.333419 0.000012 Fe\n0.307981 0.692012 0.794988 O\n0.072038 0.549391 0.202410 O\n0.450611 0.927966 0.202403 O\n0.927962 0.450602 0.797603 O\n0.549398 0.072034 0.797586 O\n0.692022 0.307978 0.205008 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.639525585132818,
"density_atomic": 0.08777466861782678,
"volume": 136.71370326954258,
"volume_molar": 6.860909707583814,
"formula_full": "Na4 Fe2 O6",
"formula_reduced": "Na2FeO3",
"formula_anonymous": "AB2C3",
"energy": -71.52106676,
"energy_per_atom": -5.960088896666666,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -62.88706676,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9998808,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.310000Z",
"spacegroup": 12
},
{
"id": "mp-1095136",
"created_at": "2022-09-04T14:39:40.025724Z",
"structure_string": "La2 B4 Os4\n1.0\n0.000000 4.602618 5.119154\n3.297043 0.000000 5.119154\n3.297043 4.602618 0.000000\nLa B Os\n2 4 4\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 La\n0.318337 0.681663 0.318337 B\n0.681663 0.318337 0.681663 B\n0.568337 0.931663 0.568337 B\n0.931663 0.568337 0.931663 B\n0.636238 0.636238 0.363762 Os\n0.363762 0.363762 0.636238 Os\n0.613762 0.613762 0.886238 Os\n0.886238 0.886238 0.613762 Os\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"B",
"Os"
],
"chemical_system": "B-La-Os",
"density": 11.564012870211567,
"density_atomic": 0.06436388746575943,
"volume": 155.36662550595383,
"volume_molar": 9.356396882030603,
"formula_full": "La2 B4 Os4",
"formula_reduced": "La(BOs)2",
"formula_anonymous": "AB2C2",
"energy": -86.03831157,
"energy_per_atom": -8.603831157,
"energy_above_hull": null,
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"energy_uncorrected": -86.03831157,
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"total_magnetization": 0.000107,
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"updated_at": "2021-11-28T01:34:27.419000Z",
"spacegroup": 70
}
]
}