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{
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"results": [
{
"id": "jvasp-29390",
"created_at": "2022-09-04T14:38:03.870427Z",
"updated_at": "2022-09-04T14:38:03.870454Z",
"structure_string": "Mg8 Si8 O24\n1.0\n4.979775 0.000000 -1.673245\n0.000000 8.924212 0.000000\n-0.571764 0.000000 9.845198\nMg Si O\n8 8 24\ndirect\n0.691859 0.843202 0.278647 Mg\n0.191858 0.656797 0.278647 Mg\n0.349599 0.510955 0.767143 Mg\n0.308143 0.156797 0.721353 Mg\n0.808143 0.343203 0.721353 Mg\n0.650403 0.489045 0.232857 Mg\n0.150403 0.010955 0.232857 Mg\n0.849599 0.989045 0.767143 Mg\n0.242723 0.834332 0.569455 Si\n0.757278 0.165667 0.430545 Si\n0.292302 0.211430 0.985917 Si\n0.207699 0.711430 0.014083 Si\n0.742724 0.665667 0.569455 Si\n0.792302 0.288569 0.985917 Si\n0.257278 0.334332 0.430545 Si\n0.707700 0.788569 0.014083 Si\n0.463789 0.685293 0.618716 O\n0.889705 0.769733 0.906916 O\n0.110297 0.230267 0.093084 O\n0.289379 0.830459 0.150530 O\n0.765825 0.947093 0.100213 O\n0.111780 0.842579 0.390886 O\n0.388221 0.342579 0.609114 O\n0.568947 0.027457 0.348364 O\n0.610297 0.269733 0.093084 O\n0.036213 0.185293 0.381285 O\n0.710622 0.169541 0.849470 O\n0.963789 0.814706 0.618715 O\n0.536213 0.314706 0.381284 O\n0.931055 0.527457 0.651635 O\n0.234177 0.052907 0.899787 O\n0.431054 0.972542 0.651636 O\n0.888221 0.157421 0.609114 O\n0.789380 0.669541 0.150530 O\n0.068947 0.472543 0.348365 O\n0.734177 0.447093 0.899786 O\n0.611781 0.657421 0.390886 O\n0.210622 0.330459 0.849470 O\n0.389704 0.730267 0.906916 O\n0.265824 0.552907 0.100214 O\n",
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"spacegroup": 14
},
{
"id": "jvasp-20775",
"created_at": "2022-09-04T14:37:41.987962Z",
"updated_at": "2022-09-04T14:37:41.987985Z",
"structure_string": "Mg24 P16\n1.0\n9.841071 0.000000 -3.479344\n-4.920535 8.522617 -3.479344\n-0.000000 0.000000 10.438031\nMg P\n24 16\ndirect\n0.525932 0.766449 0.533262 Mg\n0.025932 0.492671 0.759484 Mg\n0.233187 0.266449 0.740516 Mg\n0.266813 0.007329 0.033262 Mg\n0.233551 0.466739 0.474068 Mg\n0.759484 0.025932 0.492671 Mg\n0.266448 0.740517 0.233187 Mg\n0.033261 0.266813 0.007329 Mg\n0.492671 0.759484 0.025933 Mg\n0.740516 0.233187 0.266449 Mg\n0.007329 0.033261 0.266813 Mg\n0.474068 0.233552 0.466739 Mg\n0.466738 0.474068 0.233552 Mg\n0.766813 0.733552 0.259484 Mg\n0.974068 0.507329 0.240517 Mg\n0.992670 0.966739 0.733188 Mg\n0.259483 0.766813 0.733552 Mg\n0.966738 0.733187 0.992671 Mg\n0.507329 0.240516 0.974068 Mg\n0.240516 0.974068 0.507330 Mg\n0.533261 0.525932 0.766449 Mg\n0.766448 0.533262 0.525933 Mg\n0.733187 0.992671 0.966739 Mg\n0.733551 0.259484 0.766813 Mg\n0.773558 0.023558 0.750000 P\n0.976442 0.250000 0.226443 P\n0.476442 0.250000 0.726443 P\n0.726442 0.476443 0.250000 P\n0.750000 0.773558 0.023558 P\n0.750000 0.273558 0.523558 P\n0.226442 0.976443 0.250000 P\n0.500000 0.000000 0.000000 P\n0.273557 0.523558 0.750000 P\n0.250000 0.226442 0.976442 P\n-0.000000 0.500000 0.000000 P\n0.000000 0.000000 0.500000 P\n0.500000 0.500000 0.500000 P\n0.023557 0.750000 0.773558 P\n0.523557 0.750000 0.273558 P\n0.250000 0.726443 0.476443 P\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Mg",
"P"
],
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"density": 2.0464279012186046,
"density_atomic": 0.04569051696151216,
"volume": 875.4551854533486,
"volume_molar": 13.180285889679926,
"formula_full": "Mg24 P16",
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"spacegroup": 206
},
{
"id": "jvasp-29301",
"created_at": "2022-09-04T14:38:00.632785Z",
"updated_at": "2022-09-04T14:38:00.632801Z",
"structure_string": "Mo4 As8 O28\n1.0\n4.580831 0.000000 0.000000\n0.000000 7.623657 -1.274126\n0.000000 -0.082572 16.421834\nMo As O\n4 8 28\ndirect\n0.000757 0.164795 0.098239 Mo\n0.499242 0.664795 0.598239 Mo\n0.500757 0.335206 0.401761 Mo\n0.999241 0.835207 0.901761 Mo\n0.959537 0.677829 0.441668 As\n0.952125 0.108225 0.714674 As\n0.047874 0.891775 0.285325 As\n0.452124 0.391775 0.785325 As\n0.040464 0.322172 0.558331 As\n0.540464 0.177828 0.941668 As\n0.459536 0.822173 0.058333 As\n0.547873 0.608225 0.214675 As\n0.741443 0.427881 0.524268 O\n0.241443 0.072119 0.975732 O\n0.258557 0.572119 0.475733 O\n0.758557 0.927881 0.024267 O\n0.270641 0.838820 0.623232 O\n0.770642 0.661181 0.876767 O\n0.729357 0.161180 0.376768 O\n0.229359 0.338820 0.123232 O\n0.327635 0.174280 0.732285 O\n0.096043 0.840822 0.393837 O\n0.827635 0.325720 0.767714 O\n0.672364 0.825720 0.267714 O\n0.172366 0.674280 0.232285 O\n0.718655 0.669720 0.681874 O\n0.218655 0.830281 0.818125 O\n0.281345 0.330280 0.318125 O\n0.781344 0.169720 0.181875 O\n0.403957 0.340822 0.893838 O\n0.249960 0.221737 0.476718 O\n0.750038 0.778264 0.523281 O\n0.250040 0.721737 0.976718 O\n0.249237 0.966981 0.126152 O\n0.749237 0.533020 0.373847 O\n0.750761 0.033020 0.873847 O\n0.250763 0.466981 0.626152 O\n0.596043 0.659179 0.106163 O\n0.749961 0.278264 0.023281 O\n0.903958 0.159179 0.606162 O\n",
"nsites": 40,
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"elements": [
"Mo",
"As",
"O"
],
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"density": 4.147245756894151,
"density_atomic": 0.06980649429664751,
"volume": 573.0125886284626,
"volume_molar": 8.626906164931444,
"formula_full": "Mo4 As8 O28",
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"spacegroup": 14
},
{
"id": "jvasp-29418",
"created_at": "2022-09-04T14:37:52.623163Z",
"updated_at": "2022-09-04T14:37:52.623180Z",
"structure_string": "Dy4 Te10 O26\n1.0\n6.962750 0.001819 0.370863\n2.215757 8.345491 0.122720\n-0.018841 -0.018927 10.556959\nDy Te O\n4 10 26\ndirect\n0.554205 0.529265 0.179642 Dy\n0.997864 0.735051 0.237839 Dy\n0.002137 0.264949 0.762161 Dy\n0.445796 0.470735 0.820357 Dy\n0.874854 0.654534 0.892889 Te\n0.156611 0.803271 0.633009 Te\n0.125147 0.345465 0.107111 Te\n0.566998 0.091344 0.695012 Te\n0.843390 0.196729 0.366991 Te\n0.709363 0.117280 0.029320 Te\n0.726273 0.606708 0.520752 Te\n0.290638 0.882719 0.970680 Te\n0.273728 0.393292 0.479248 Te\n0.433002 0.908656 0.304988 Te\n0.344017 0.990623 0.124865 O\n0.533611 0.325581 0.002929 O\n0.538233 0.810261 0.487048 O\n0.044585 0.349061 0.562320 O\n0.933711 0.732378 0.718045 O\n0.940226 0.981963 0.314399 O\n0.955416 0.650939 0.437680 O\n0.671456 0.256768 0.229836 O\n0.941053 0.179663 0.966128 O\n0.338335 0.512079 0.614655 O\n0.238800 0.494283 0.186746 O\n0.059775 0.018037 0.685600 O\n0.328545 0.743231 0.770164 O\n0.466390 0.674419 0.997071 O\n0.687579 0.262879 0.710221 O\n0.058948 0.820337 0.033872 O\n0.667379 0.779847 0.223337 O\n0.761200 0.505717 0.813254 O\n0.312422 0.737121 0.289779 O\n0.661666 0.487920 0.385345 O\n0.461767 0.189738 0.512952 O\n0.879172 0.512194 0.108169 O\n0.120828 0.487805 0.891831 O\n0.655983 0.009377 0.875135 O\n0.066290 0.267621 0.281954 O\n0.332622 0.220152 0.776662 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Dy",
"Te",
"O"
],
"chemical_system": "Dy-O-Te",
"density": 6.339426479460715,
"density_atomic": 0.06520439437628502,
"volume": 613.4555865846381,
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"formula_full": "Dy4 Te10 O26",
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},
{
"id": "jvasp-30750",
"created_at": "2022-09-04T14:38:01.290150Z",
"updated_at": "2022-09-04T14:38:01.290171Z",
"structure_string": "Mg4 Ti4 Ge8 O24\n1.0\n5.119917 0.000000 -1.575384\n0.000000 8.484471 0.000000\n-0.206084 0.000000 12.049148\nMg Ti Ge O\n4 4 8 24\ndirect\n0.411672 0.457705 0.257713 Mg\n0.088329 0.957705 0.742287 Mg\n0.588329 0.542295 0.742288 Mg\n0.911672 0.042295 0.257713 Mg\n0.917550 0.656235 0.275185 Ti\n0.582451 0.156235 0.724816 Ti\n0.082451 0.343765 0.724816 Ti\n0.417550 0.843765 0.275184 Ti\n0.714154 0.150381 0.469183 Ge\n0.785848 0.650381 0.530818 Ge\n0.214153 0.349619 0.469183 Ge\n0.285848 0.849619 0.530818 Ge\n0.230542 0.647338 0.925530 Ge\n0.730543 0.852662 0.925530 Ge\n0.769459 0.352662 0.074471 Ge\n0.269459 0.147338 0.074471 Ge\n0.216071 0.003490 0.194892 O\n0.144471 0.851405 0.377882 O\n0.355531 0.351405 0.622119 O\n0.309191 0.164226 0.789687 O\n0.190810 0.664226 0.210313 O\n0.690811 0.835773 0.210313 O\n0.809191 0.335773 0.789688 O\n0.716071 0.496510 0.194893 O\n0.783930 -0.003490 0.805108 O\n0.283930 0.503490 0.805108 O\n0.133662 0.537285 0.411356 O\n0.965941 0.203911 0.403262 O\n0.866339 0.462715 0.588645 O\n0.633662 0.962715 0.411356 O\n0.638837 0.183401 0.153737 O\n0.861165 0.683401 0.846264 O\n0.361165 0.816598 0.846264 O\n0.138836 0.316599 0.153737 O\n0.644471 0.648595 0.377882 O\n0.534061 0.703911 0.596739 O\n0.034060 0.796089 0.596739 O\n0.465941 0.296089 0.403261 O\n0.366339 0.037285 0.588645 O\n0.855531 0.148595 0.622119 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 3.998735966271415,
"density_atomic": 0.0768258854066026,
"volume": 520.6578458328097,
"volume_molar": 7.838687088508898,
"formula_full": "Mg4 Ti4 Ge8 O24",
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{
"id": "jvasp-62522",
"created_at": "2022-09-04T14:36:02.948488Z",
"updated_at": "2022-09-04T14:36:02.948519Z",
"structure_string": "K4 As8 F28\n1.0\n0.000000 8.548832 -0.002756\n7.286554 0.000000 0.000000\n0.000000 -3.682463 -10.154914\nK As F\n4 8 28\ndirect\n0.228349 0.843889 0.078263 K\n0.271651 0.343889 0.921737 K\n0.771651 0.156111 0.921737 K\n0.728349 0.656110 0.078263 K\n0.665774 0.185325 0.232790 As\n0.834226 0.685325 0.767210 As\n0.334226 0.814674 0.767210 As\n0.165774 0.314674 0.232790 As\n0.872695 0.169927 0.595149 As\n0.372695 0.330072 0.595149 As\n0.127305 0.830072 0.404851 As\n0.627305 0.669927 0.404851 As\n0.790150 0.504065 0.864663 F\n0.596811 0.325319 0.070272 F\n0.209850 0.495934 0.135337 F\n0.290150 0.995934 0.864663 F\n0.709850 0.004066 0.135337 F\n0.295843 0.002215 0.620757 F\n0.551468 0.874254 0.812902 F\n0.051468 0.625745 0.812902 F\n0.448532 0.125745 0.187098 F\n0.204157 0.502215 0.379243 F\n0.903190 0.825319 0.929728 F\n0.948532 0.374255 0.187098 F\n0.403190 0.674680 0.929728 F\n0.814700 0.616630 0.372940 F\n0.522245 0.706880 0.231097 F\n0.977755 0.206881 0.768904 F\n0.477755 0.293119 0.768903 F\n0.022245 0.793119 0.231096 F\n0.795843 0.497785 0.620757 F\n0.685300 0.116630 0.627060 F\n0.185300 0.383369 0.627060 F\n0.314700 0.883369 0.372940 F\n0.555097 0.432367 0.381010 F\n0.944904 0.932366 0.618990 F\n0.444904 0.567633 0.618990 F\n0.055097 0.067633 0.381010 F\n0.096811 0.174680 0.070272 F\n0.704157 -0.002215 0.379243 F\n",
"nsites": 40,
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"elements": [
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"As",
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],
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"density": 3.3799866492657706,
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"volume": 632.6390397837323,
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"spacegroup": 14
},
{
"id": "jvasp-97372",
"created_at": "2022-09-04T14:36:01.706333Z",
"updated_at": "2022-09-04T14:36:01.706362Z",
"structure_string": "Na16 Be8 O16\n1.0\n5.300912 0.000000 0.000000\n0.000000 7.772911 -1.224938\n0.000000 0.059079 11.439631\nNa Be O\n16 8 16\ndirect\n0.443226 0.661159 0.485103 Na\n0.558596 0.838861 0.014877 Na\n0.058597 0.161139 0.985123 Na\n0.948624 0.697660 0.624443 Na\n0.448624 0.302340 0.375557 Na\n0.382257 0.497023 0.918164 Na\n0.882256 0.502977 0.081835 Na\n0.119605 0.996998 0.418196 Na\n0.619605 0.003002 0.581804 Na\n0.168291 0.070497 0.715463 Na\n0.668291 0.929503 0.284537 Na\n0.333573 0.570445 0.215457 Na\n0.833572 0.429555 0.784543 Na\n0.053273 0.802323 0.875528 Na\n0.553273 0.197678 0.124471 Na\n0.943225 0.338841 0.514897 Na\n0.618424 0.134574 0.872710 Be\n0.118424 0.865426 0.127289 Be\n0.883386 0.634499 0.372718 Be\n0.383386 0.365501 0.627282 Be\n0.543384 0.879339 0.788610 Be\n0.043385 0.120661 0.211390 Be\n0.458538 0.620738 0.711368 Be\n0.958538 0.379262 0.288632 Be\n0.193427 0.693470 0.055507 O\n0.227175 0.479576 0.728178 O\n0.727174 0.520424 0.271822 O\n0.693427 0.306530 0.944493 O\n0.274650 0.979464 0.228198 O\n0.884873 0.981444 0.108583 O\n0.384873 0.018556 0.891416 O\n0.616978 0.481490 0.608575 O\n0.635337 0.696051 0.826898 O\n0.135337 0.303949 0.173101 O\n0.366565 0.804021 0.673075 O\n0.866565 0.195979 0.326925 O\n0.116978 0.518510 0.391425 O\n0.308414 0.193525 0.555520 O\n0.774650 0.020536 0.771801 O\n0.808414 0.806475 0.444480 O\n",
"nsites": 40,
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"elements": [
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],
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"density_atomic": 0.08479307264657604,
"volume": 471.7366496048921,
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"formula_full": "Na16 Be8 O16",
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"spacegroup": 14
},
{
"id": "jvasp-97845",
"created_at": "2022-09-04T14:36:01.886151Z",
"updated_at": "2022-09-04T14:36:01.886184Z",
"structure_string": "Ag26 Os2 O12\n1.0\n8.141192 0.000000 4.700319\n2.713731 7.675589 4.700319\n-0.000000 -0.000000 9.400638\nAg Os O\n26 2 12\ndirect\n0.792357 0.564143 0.435857 Ag\n0.435857 0.564143 0.207643 Ag\n0.564143 0.207643 0.435857 Ag\n0.207643 0.564143 0.792358 Ag\n0.207643 0.792357 0.435857 Ag\n0.707642 0.064143 0.935857 Ag\n0.292357 0.707643 0.935857 Ag\n0.292357 0.064143 0.707643 Ag\n0.064143 0.935857 0.707643 Ag\n0.707642 0.935857 0.292358 Ag\n0.935857 0.707643 0.064143 Ag\n0.707642 0.292357 0.064143 Ag\n0.935857 0.064143 0.292358 Ag\n0.064143 0.292357 0.935857 Ag\n0.792357 0.435857 0.207643 Ag\n0.435857 0.792357 0.564143 Ag\n0.435857 0.207643 0.792358 Ag\n0.564143 0.792357 0.207643 Ag\n0.792357 0.207643 0.564143 Ag\n0.564143 0.435857 0.792358 Ag\n0.292357 0.935857 0.064143 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.935857 0.292357 0.707643 Ag\n0.207643 0.435857 0.564143 Ag\n0.064143 0.707643 0.292358 Ag\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n0.394587 0.105413 0.105413 O\n0.394587 0.394587 0.105413 O\n0.105413 0.105413 0.394587 O\n0.394587 0.105413 0.394587 O\n0.105413 0.394587 0.105413 O\n0.105413 0.394587 0.394587 O\n0.605413 0.894587 0.894587 O\n0.605413 0.605413 0.894587 O\n0.894587 0.894587 0.605414 O\n0.605413 0.894587 0.605414 O\n0.894587 0.605413 0.894587 O\n0.894587 0.605413 0.605414 O\n",
"nsites": 40,
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],
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"volume": 587.4312389907475,
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"formula_full": "Ag26 Os2 O12",
"formula_reduced": "Ag13OsO6",
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