{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=103","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=101","results":[{"id":"jvasp-21102","created_at":"2022-09-04T14:37:30.110364Z","updated_at":"2022-09-04T14:37:30.110389Z","structure_string":"Na20 Si4 P12\n1.0\n0.000000 7.945762 0.021315\n7.305787 0.000000 0.000000\n0.000000 -7.807301 -13.107448\nNa Si P\n20 4 12\ndirect\n0.556760 0.505986 0.741814 Na\n0.159032 0.163330 0.081018 Na\n0.840969 0.663330 0.418982 Na\n0.159032 0.336670 0.581018 Na\n0.835856 0.345800 0.258501 Na\n0.164144 0.845800 0.241500 Na\n0.164144 0.654200 0.741500 Na\n0.835856 0.154200 0.758501 Na\n0.252760 0.970668 0.917460 Na\n0.747240 0.470668 0.582540 Na\n0.840969 0.836670 0.918982 Na\n0.252760 0.529333 0.417460 Na\n0.916698 0.516143 0.088665 Na\n0.083302 0.016143 0.411336 Na\n0.083302 0.483857 0.911336 Na\n0.916698 0.983857 0.588665 Na\n0.556760 0.994015 0.241814 Na\n0.747240 0.029333 0.082540 Na\n0.443241 0.494014 0.258187 Na\n0.443241 0.005986 0.758187 Na\n0.487692 0.360701 0.915795 Si\n0.512308 0.860701 0.584205 Si\n0.512308 0.639300 0.084205 Si\n0.487692 0.139299 0.415795 Si\n0.520217 0.682442 0.934631 P\n0.240204 0.741489 0.579803 P\n0.759797 0.241489 0.920198 P\n0.759797 0.258511 0.420198 P\n0.240204 0.758512 0.079803 P\n0.801664 0.769019 0.722785 P\n0.198336 0.269019 0.777216 P\n0.198336 0.230981 0.277216 P\n0.801664 0.730982 0.222785 P\n0.479783 0.317558 0.065370 P\n0.520217 0.817558 0.434630 P\n0.479784 0.182442 0.565370 P\n","nsites":36,"nelements":3,"elements":["Na","Si","P"],"chemical_system":"Na-P-Si","density":2.063066477173029,"density_atomic":0.04738886264602736,"volume":759.6721674648147,"volume_molar":12.707924233131687,"formula_full":"Na20 Si4 P12","formula_reduced":"Na5SiP3","formula_anonymous":"AB3C5","energy_above_hull":1.0659266777777778,"spacegroup":14},{"id":"jvasp-97340","created_at":"2022-09-04T14:38:15.435742Z","updated_at":"2022-09-04T14:38:15.435767Z","structure_string":"Rb2 Sm2 P8 O24\n1.0\n7.281638 0.013885 -1.416851\n-3.643308 6.304661 -1.416851\n0.013619 0.023651 10.586146\nRb Sm P O\n2 2 8 24\ndirect\n0.182079 0.817920 0.750000 Rb\n0.817920 0.182079 0.250000 Rb\n0.878762 0.121237 0.750000 Sm\n0.121237 0.878762 0.250000 Sm\n0.707324 0.367337 0.994750 P\n0.367338 0.707324 0.494750 P\n0.292675 0.632662 0.005250 P\n0.695819 0.736468 0.934935 P\n0.304180 0.263531 0.065066 P\n0.736469 0.695819 0.434935 P\n0.632662 0.292675 0.505251 P\n0.263531 0.304180 0.565066 P\n0.490416 0.634549 0.406490 O\n0.798735 0.745662 0.314799 O\n0.254337 0.201265 0.185201 O\n0.201265 0.254337 0.685201 O\n0.745663 0.798734 0.814800 O\n0.365450 0.509583 0.093510 O\n0.177875 0.686169 0.397404 O\n0.723834 0.472692 0.432125 O\n0.313830 0.822124 0.102597 O\n0.822125 0.313829 0.602597 O\n0.686170 0.177874 0.897404 O\n0.909941 0.509651 0.108549 O\n0.490348 0.090059 0.391451 O\n0.090059 0.490348 0.891451 O\n0.509583 0.365450 0.593510 O\n0.509651 0.909940 0.608549 O\n0.138842 0.150324 0.425446 O\n0.150325 0.138842 0.925446 O\n0.861157 0.849674 0.574554 O\n0.472692 0.723834 0.932126 O\n0.276165 0.527307 0.567875 O\n0.527307 0.276165 0.067875 O\n0.849675 0.861157 0.074554 O\n0.634550 0.490416 0.906491 O\n","nsites":36,"nelements":4,"elements":["Rb","Sm","P","O"],"chemical_system":"O-P-Rb-Sm","density":3.76229172457434,"density_atomic":0.07391976425529861,"volume":487.0145401934165,"volume_molar":8.14686142558731,"formula_full":"Rb2 Sm2 P8 O24","formula_reduced":"RbSm(PO3)4","formula_anonymous":"ABC4D12","energy_above_hull":2.7501073819444444,"spacegroup":15},{"id":"jvasp-97578","created_at":"2022-09-04T14:35:54.070646Z","updated_at":"2022-09-04T14:35:54.070666Z","structure_string":"K4 Mo4 P4 O24\n1.0\n7.599617 -0.017960 -3.239292\n-2.220949 7.267867 -3.239292\n0.018858 0.025419 9.572671\nK Mo P O\n4 4 4 24\ndirect\n0.088531 0.338531 0.250000 K\n0.661469 0.911469 0.250001 K\n0.338531 0.088531 0.750000 K\n0.911470 0.661469 0.750001 K\n0.401282 0.598719 0.750000 Mo\n0.848719 0.151282 0.750000 Mo\n0.598718 0.401282 0.250000 Mo\n0.151282 0.848719 0.250000 Mo\n0.241093 0.491093 0.982185 P\n0.758908 0.508908 0.017815 P\n0.491093 0.241093 0.482185 P\n0.508908 0.758908 0.517815 P\n0.607599 0.683652 0.412200 O\n0.029559 0.396343 0.857890 O\n0.538453 0.671669 0.642111 O\n0.603658 0.970442 0.642111 O\n0.328331 0.461548 0.857890 O\n0.271452 0.695399 0.087801 O\n0.029944 0.906262 0.094593 O\n0.728548 0.304601 0.912199 O\n0.811669 0.435351 0.405407 O\n0.093738 0.970056 0.405407 O\n0.564649 0.188331 0.094593 O\n0.970057 0.093739 0.905407 O\n0.188332 0.564649 0.594593 O\n0.906262 0.029944 0.594593 O\n0.316349 0.392402 0.087801 O\n0.435351 0.811669 0.905407 O\n0.461548 0.328331 0.357890 O\n0.396343 0.029559 0.357890 O\n0.671669 0.538453 0.142111 O\n0.683652 0.607599 0.912200 O\n0.695400 0.271452 0.587801 O\n0.392402 0.316349 0.587801 O\n0.970442 0.603658 0.142111 O\n0.304601 0.728548 0.412199 O\n","nsites":36,"nelements":4,"elements":["K","Mo","P","O"],"chemical_system":"K-Mo-O-P","density":3.2860718296399734,"density_atomic":0.0679759282017435,"volume":529.5992412660669,"volume_molar":8.859225492481821,"formula_full":"K4 Mo4 P4 O24","formula_reduced":"KMoPO6","formula_anonymous":"ABCD6","energy_above_hull":2.7028467111111105,"spacegroup":70},{"id":"jvasp-23353","created_at":"2022-09-04T14:37:54.959056Z","updated_at":"2022-09-04T14:37:54.959078Z","structure_string":"Dy8 Ti12 Si16\n1.0\n7.070342 0.000000 0.000000\n-0.000000 7.070342 0.000000\n0.000000 -0.000000 12.983065\nDy Ti Si\n8 12 16\ndirect\n0.998128 0.659856 0.033063 Dy\n0.001871 0.340144 0.533063 Dy\n0.659856 0.998128 0.966937 Dy\n0.159856 0.501871 0.783064 Dy\n0.840144 0.498129 0.283063 Dy\n0.501871 0.159856 0.216937 Dy\n0.498129 0.840144 0.716937 Dy\n0.340144 0.001871 0.466937 Dy\n0.653315 0.492404 0.873881 Ti\n0.492404 0.653315 0.126119 Ti\n0.172276 0.827723 0.250000 Ti\n0.827723 0.172276 0.750000 Ti\n0.672276 0.672276 0.500000 Ti\n0.327723 0.327723 0.000000 Ti\n0.507596 0.346685 0.626119 Ti\n0.992404 0.846685 0.623881 Ti\n0.007596 0.153315 0.123881 Ti\n0.846685 0.992404 0.376119 Ti\n0.346685 0.507596 0.373881 Ti\n0.153315 0.007596 0.876119 Ti\n0.129819 0.202160 0.316413 Si\n0.370181 0.702160 0.933588 Si\n0.629819 0.297840 0.433588 Si\n0.702160 0.370181 0.066413 Si\n0.297840 0.629819 0.566413 Si\n0.797839 0.870181 0.183588 Si\n0.290739 0.954775 0.065007 Si\n0.790738 0.545225 0.684994 Si\n0.454775 0.209261 0.815007 Si\n0.209261 0.454775 0.184994 Si\n0.709261 0.045225 0.565007 Si\n0.954775 0.290739 0.934994 Si\n0.045225 0.709261 0.434994 Si\n0.202160 0.129819 0.683588 Si\n0.545225 0.790738 0.315007 Si\n0.870181 0.797839 0.816413 Si\n","nsites":36,"nelements":3,"elements":["Dy","Ti","Si"],"chemical_system":"Dy-Si-Ti","density":5.945447346359633,"density_atomic":0.055468245132461284,"volume":649.0199917814234,"volume_molar":10.856915962671597,"formula_full":"Dy8 Ti12 Si16","formula_reduced":"Dy2Ti3Si4","formula_anonymous":"A2B3C4","energy_above_hull":3.4416913777777776,"spacegroup":92},{"id":"jvasp-98299","created_at":"2022-09-04T14:38:15.028759Z","updated_at":"2022-09-04T14:38:15.028786Z","structure_string":"H12 Cl4 O20\n1.0\n9.066630 0.000000 -0.305141\n0.000000 5.538780 0.000000\n-0.232408 0.000000 6.934856\nH Cl O\n12 4 20\ndirect\n0.161542 0.893313 0.065322 H\n0.161542 0.606687 0.065322 H\n0.285989 0.750000 0.208106 H\n0.604653 0.750000 0.403694 H\n0.686893 0.750000 0.183801 H\n0.790622 0.750000 0.407377 H\n0.882979 0.250000 0.937627 H\n0.843678 0.250000 0.685779 H\n0.706575 0.250000 0.842612 H\n0.405337 0.250000 0.629942 H\n0.217743 0.250000 0.598623 H\n0.305044 0.250000 0.831915 H\n0.564405 0.750000 0.819567 Cl\n0.060461 0.750000 0.703039 Cl\n0.944382 0.250000 0.316598 Cl\n0.425656 0.250000 0.193287 Cl\n0.077460 0.533460 0.827900 O\n0.693634 0.750000 0.331797 O\n0.182691 0.750000 0.151499 O\n0.418309 0.034996 0.314378 O\n0.924267 0.463461 0.195032 O\n0.573673 0.535873 0.696809 O\n0.077460 0.966540 0.827900 O\n0.573673 0.964127 0.696809 O\n0.418309 0.465004 0.314378 O\n0.291372 0.250000 0.054255 O\n0.428131 0.750000 0.917699 O\n0.910660 0.750000 0.611192 O\n0.557985 0.250000 0.087825 O\n0.092555 0.250000 0.412569 O\n0.693136 0.750000 0.962959 O\n0.170283 0.750000 0.562795 O\n0.812691 0.250000 0.824020 O\n0.831990 0.250000 0.461413 O\n0.924267 0.036539 0.195032 O\n0.309335 0.250000 0.685808 O\n","nsites":36,"nelements":3,"elements":["H","Cl","O"],"chemical_system":"Cl-H-O","density":2.262164274103084,"density_atomic":0.10348923092916101,"volume":347.8622816768463,"volume_molar":5.819098959313158,"formula_full":"H12 Cl4 O20","formula_reduced":"H3ClO5","formula_anonymous":"AB3C5","energy_above_hull":2.5716101741666666,"spacegroup":6},{"id":"jvasp-25783","created_at":"2022-09-04T14:37:37.993946Z","updated_at":"2022-09-04T14:37:37.993974Z","structure_string":"Na4 Ca6 Si6 O20\n1.0\n5.172452 0.000000 -0.000000\n-2.586226 8.161291 -0.410955\n-0.000000 0.004919 11.375659\nNa Ca Si O\n4 6 6 20\ndirect\n0.723688 0.913585 0.034344 Na\n0.189896 0.913585 0.534344 Na\n0.810103 0.086415 0.465656 Na\n0.276311 0.086415 0.965656 Na\n0.085203 0.696480 0.792011 Ca\n0.611277 0.696480 0.292011 Ca\n-0.000000 0.500000 0.500000 Ca\n0.388722 0.303520 0.707989 Ca\n0.914796 0.303520 0.207989 Ca\n0.499999 0.500000 0.000000 Ca\n0.463039 0.302909 0.397195 Si\n0.839869 0.302909 0.897195 Si\n0.536960 0.697091 0.602805 Si\n0.160130 0.697091 0.102805 Si\n0.795182 0.000000 0.750000 Si\n0.204818 0.000000 0.250000 Si\n0.080130 0.087382 0.150379 O\n0.236513 0.544510 0.162303 O\n0.763486 0.455490 0.837697 O\n0.348424 0.864681 0.185351 O\n0.153743 0.310669 0.391313 O\n0.843074 0.689331 0.108688 O\n0.307996 0.544510 0.662303 O\n0.992747 0.912618 0.349622 O\n0.846255 0.689331 0.608688 O\n0.581171 0.282237 0.527351 O\n0.701066 0.282237 0.027351 O\n0.516257 0.864682 0.685351 O\n0.418828 0.717763 0.472649 O\n0.483742 0.135318 0.314650 O\n0.007252 0.087382 0.650379 O\n0.919869 0.912618 0.849622 O\n0.651575 0.135319 0.814650 O\n0.156925 0.310669 0.891313 O\n0.298933 0.717763 0.972649 O\n0.692003 0.455490 0.337697 O\n","nsites":36,"nelements":4,"elements":["Na","Ca","Si","O"],"chemical_system":"Ca-Na-O-Si","density":2.838656569460492,"density_atomic":0.07496544908939053,"volume":480.22122774283355,"volume_molar":8.033221748353778,"formula_full":"Na4 Ca6 Si6 O20","formula_reduced":"Na2Ca3Si3O10","formula_anonymous":"A2B3C3D10","energy_above_hull":1.9815250033333327,"spacegroup":15},{"id":"jvasp-96932","created_at":"2022-09-04T14:35:53.969376Z","updated_at":"2022-09-04T14:35:53.969401Z","structure_string":"Rb2 Th4 P6 O24\n1.0\n6.469550 0.000000 -2.517021\n-0.629910 7.961376 -1.619068\n0.003553 0.009205 9.582049\nRb Th P O\n2 4 6 24\ndirect\n0.597460 0.250000 0.000000 Rb\n0.402540 0.750000 -0.000000 Rb\n0.247148 0.533543 0.308498 Th\n0.061349 0.033543 0.308498 Th\n0.938650 0.966458 0.691502 Th\n0.752851 0.466458 0.691502 Th\n0.099300 0.250000 -0.000000 P\n0.398732 0.818507 0.618890 P\n0.601267 0.181494 0.381110 P\n0.220157 0.318507 0.618890 P\n0.779843 0.681494 0.381110 P\n0.900701 0.750000 0.000000 P\n0.400267 0.067395 0.306926 O\n0.044576 0.245192 0.143813 O\n0.174414 0.331205 0.448882 O\n0.740863 0.153685 0.287677 O\n0.274468 0.831205 0.448882 O\n0.449892 0.629480 0.593981 O\n0.855911 0.870521 0.406019 O\n0.599733 0.932606 0.693074 O\n0.245073 0.411466 0.052213 O\n0.754927 0.588536 0.947787 O\n0.546814 0.653685 0.287677 O\n0.099237 0.745192 0.143813 O\n0.807140 0.911466 0.052213 O\n0.550108 0.370521 0.406019 O\n0.955424 0.754809 0.856187 O\n0.900763 0.254809 0.856187 O\n0.906659 0.567395 0.306926 O\n0.259137 0.846316 0.712323 O\n0.144089 0.129480 0.593981 O\n0.093340 0.432606 0.693074 O\n0.192859 0.088535 0.947787 O\n0.453186 0.346316 0.712323 O\n0.725531 0.168796 0.551118 O\n0.825586 0.668796 0.551118 O\n","nsites":36,"nelements":4,"elements":["Rb","Th","P","O"],"chemical_system":"O-P-Rb-Th","density":5.613098619176631,"density_atomic":0.07291579151440813,"volume":493.7202113877679,"volume_molar":8.259035025094704,"formula_full":"Rb2 Th4 P6 O24","formula_reduced":"RbTh2(PO4)3","formula_anonymous":"AB2C3D12","energy_above_hull":2.8801522055555555,"spacegroup":15},{"id":"jvasp-21562","created_at":"2022-09-04T14:38:32.331317Z","updated_at":"2022-09-04T14:38:32.331342Z","structure_string":"Ho7 Co6 Sn23\n1.0\n4.852107 -8.404095 0.000000\n4.852107 8.404095 -0.000000\n0.000000 -0.000000 9.910330\nHo Co Sn\n7 6 23\ndirect\n0.000000 0.000000 0.000000 Ho\n0.520552 0.041104 0.307350 Ho\n0.520553 0.479448 0.307350 Ho\n0.958897 0.479448 0.307350 Ho\n0.041104 0.520552 0.692650 Ho\n0.479448 0.520553 0.692650 Ho\n0.479448 0.958897 0.692650 Ho\n0.831686 0.663372 0.802037 Co\n0.336628 0.168314 0.802037 Co\n0.831686 0.168315 0.802037 Co\n0.168315 0.831686 0.197963 Co\n0.168314 0.336628 0.197963 Co\n0.663372 0.831686 0.197963 Co\n0.117720 0.235439 0.726305 Sn\n0.882281 0.764562 0.273695 Sn\n0.882281 0.117720 0.273695 Sn\n0.235439 0.117720 0.273695 Sn\n0.764562 0.882281 0.726305 Sn\n0.117720 0.882281 0.726305 Sn\n0.346514 0.346514 0.000000 Sn\n0.780912 0.561825 0.546478 Sn\n0.780912 0.219089 0.546478 Sn\n0.561825 0.780912 0.453522 Sn\n0.000000 0.346514 0.000000 Sn\n0.219088 0.438176 0.453522 Sn\n0.438176 0.219088 0.546478 Sn\n0.333333 0.666667 0.178562 Sn\n0.653486 0.000000 0.000000 Sn\n0.653487 0.653487 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.346514 0.000000 0.000000 Sn\n0.333333 0.666667 0.879985 Sn\n0.666667 0.333333 0.120015 Sn\n0.666667 0.333333 0.821438 Sn\n0.219089 0.780912 0.453522 Sn\n0.000000 0.653486 0.000000 Sn\n","nsites":36,"nelements":3,"elements":["Ho","Co","Sn"],"chemical_system":"Co-Ho-Sn","density":8.707948406620748,"density_atomic":0.04454131826562081,"volume":808.2383144862279,"volume_molar":13.520346937392254,"formula_full":"Ho7 Co6 Sn23","formula_reduced":"Ho7Co6Sn23","formula_anonymous":"A6B7C23","energy_above_hull":1.3947950962962965,"spacegroup":164},{"id":"jvasp-29503","created_at":"2022-09-04T14:37:05.395036Z","updated_at":"2022-09-04T14:37:05.395062Z","structure_string":"Tc4 S4 O24 F4\n1.0\n6.841974 0.000000 -0.925321\n0.000000 7.986451 0.000000\n-0.044181 0.000000 8.933835\nTc S O F\n4 4 24 4\ndirect\n0.736285 0.344509 0.158067 Tc\n0.736285 0.155491 0.658067 Tc\n0.263714 0.655491 0.841932 Tc\n0.263714 0.844509 0.341933 Tc\n0.903858 0.767120 0.563244 S\n0.096141 0.232879 0.436756 S\n0.903858 0.732879 0.063244 S\n0.096142 0.267121 0.936756 S\n0.752431 0.134572 0.172260 O\n0.162090 0.114130 0.331580 O\n0.563088 0.399472 0.264018 O\n0.036075 0.341003 0.071168 O\n0.964276 0.360039 0.364052 O\n0.035724 0.639961 0.635948 O\n0.436912 0.600528 0.735981 O\n0.247569 0.865427 0.827740 O\n0.837910 0.885870 0.668419 O\n0.162090 0.385870 0.831580 O\n0.837909 0.614130 0.168419 O\n0.752431 0.365427 0.672259 O\n0.637529 0.379963 0.977262 O\n0.963925 0.658997 0.928831 O\n0.362471 0.879963 0.522737 O\n0.362471 0.620037 0.022737 O\n0.436912 0.899472 0.235981 O\n0.963925 0.841003 0.428832 O\n0.964276 0.139961 0.864051 O\n0.036075 0.158997 0.571168 O\n0.637529 0.120037 0.477262 O\n0.035724 0.860039 0.135948 O\n0.563088 0.100528 0.764018 O\n0.247569 0.634572 0.327740 O\n0.283763 0.334273 0.500115 F\n0.283763 0.165727 1.000115 F\n0.716237 0.665727 0.499884 F\n0.716237 0.834273 -0.000116 F\n","nsites":36,"nelements":4,"elements":["Tc","S","O","F"],"chemical_system":"F-O-S-Tc","density":3.336557031953463,"density_atomic":0.07379380159569891,"volume":487.84585184046495,"volume_molar":8.16076774712607,"formula_full":"Tc4 S4 O24 F4","formula_reduced":"TcSO6F","formula_anonymous":"ABCD6","energy_above_hull":2.692574753611111,"spacegroup":14},{"id":"jvasp-97365","created_at":"2022-09-04T14:35:50.947178Z","updated_at":"2022-09-04T14:35:50.947213Z","structure_string":"Ba4 P8 O24\n1.0\n4.525297 0.000000 0.000000\n0.000000 8.341554 0.000000\n0.000000 0.000000 13.408909\nBa P O\n4 8 24\ndirect\n0.738010 0.805324 0.871878 Ba\n0.261991 0.694676 0.371878 Ba\n0.238010 0.194676 0.628122 Ba\n0.761991 0.305324 0.128122 Ba\n0.291857 0.780219 0.644271 P\n0.791858 0.219780 0.855729 P\n0.208143 0.280220 0.355729 P\n0.708143 0.719780 0.144271 P\n0.788220 0.571503 0.595991 P\n0.711781 0.071503 0.404009 P\n0.211781 0.928496 0.095991 P\n0.288219 0.428497 0.904009 P\n0.378628 0.109266 0.365260 O\n0.727174 0.631257 0.047398 O\n0.227174 0.368742 0.452602 O\n0.772827 0.131258 0.952602 O\n0.272827 0.868742 0.547398 O\n0.878629 0.890734 0.134740 O\n0.780577 0.908157 0.365401 O\n0.380916 0.792297 0.164987 O\n0.280576 0.091842 0.134599 O\n0.719425 0.408158 0.634599 O\n0.219424 0.591842 0.865401 O\n0.751684 0.614902 0.488652 O\n0.251684 0.385097 0.011348 O\n0.748317 0.114903 0.511348 O\n0.121372 0.609265 0.634740 O\n0.248317 0.885097 0.988652 O\n0.287083 0.371944 0.263159 O\n0.712918 0.128055 0.763159 O\n0.212917 0.871944 0.736841 O\n0.619084 0.707702 0.664987 O\n0.119084 0.292298 0.835013 O\n0.880917 0.207702 0.335013 O\n0.787084 0.628055 0.236841 O\n0.621372 0.390734 0.865260 O\n","nsites":36,"nelements":3,"elements":["Ba","P","O"],"chemical_system":"Ba-O-P","density":3.8747374044522562,"density_atomic":0.07112380851675432,"volume":506.1596215213875,"volume_molar":8.467123577305893,"formula_full":"Ba4 P8 O24","formula_reduced":"Ba(PO3)2","formula_anonymous":"AB2C6","energy_above_hull":2.3579886633333333,"spacegroup":19},{"id":"jvasp-98452","created_at":"2022-09-04T14:35:58.244533Z","updated_at":"2022-09-04T14:35:58.244560Z","structure_string":"K4 Ca6 Si6 O20\n1.0\n5.614562 -0.008099 0.914377\n0.078281 7.381389 0.485562\n-0.020387 -0.005585 11.835851\nK Ca Si O\n4 6 6 20\ndirect\n0.721145 0.961127 0.627268 K\n0.278854 0.038874 0.372732 K\n0.171914 0.951215 0.857857 K\n0.828085 0.048786 0.142143 K\n0.212345 0.244554 0.627955 Ca\n0.787654 0.755447 0.372045 Ca\n0.183447 0.479181 0.862465 Ca\n0.816552 0.520820 0.137535 Ca\n0.736134 0.498560 0.651503 Ca\n0.263865 0.501441 0.348497 Ca\n0.644456 0.746624 0.908842 Si\n0.355543 0.253376 0.091158 Si\n0.335101 0.804894 0.146661 Si\n0.664899 0.195106 0.853339 Si\n0.755438 0.269150 0.418196 Si\n0.244561 0.730851 0.581804 Si\n0.451522 0.344421 0.194586 O\n0.548477 0.655580 0.805414 O\n0.673059 0.970124 0.874804 O\n0.326940 0.029877 0.125196 O\n0.419045 0.726867 0.018292 O\n0.580954 0.273133 0.981708 O\n0.527571 0.745320 0.231180 O\n0.472428 0.254681 0.768820 O\n0.072277 0.735934 0.200615 O\n0.787880 0.065551 0.369125 O\n0.094851 0.718276 0.472933 O\n0.905148 0.281725 0.527067 O\n0.867855 0.432080 0.323376 O\n0.132144 0.567920 0.676624 O\n0.529790 0.691094 0.536124 O\n0.470209 0.308906 0.463876 O\n0.112848 0.327186 0.049410 O\n0.212119 0.934449 0.630875 O\n0.927722 0.264066 0.799385 O\n0.887151 0.672815 0.950590 O\n","nsites":36,"nelements":4,"elements":["K","Ca","Si","O"],"chemical_system":"Ca-K-O-Si","density":2.9962287186547356,"density_atomic":0.07336811980098495,"volume":490.6763332309997,"volume_molar":8.208116517549294,"formula_full":"K4 Ca6 Si6 O20","formula_reduced":"K2Ca3Si3O10","formula_anonymous":"A2B3C3D10","energy_above_hull":1.9498615588888888,"spacegroup":2},{"id":"jvasp-97711","created_at":"2022-09-04T14:35:58.308898Z","updated_at":"2022-09-04T14:35:58.308925Z","structure_string":"Ba4 Tm8 Co4 O20\n1.0\n5.671837 -0.000000 0.000000\n0.000000 6.979486 0.000000\n0.000000 0.000000 12.168339\nBa Tm Co O\n4 8 4 20\ndirect\n0.250000 0.920509 0.900621 Ba\n0.750000 0.079491 0.099379 Ba\n0.750000 0.420509 0.599379 Ba\n0.250000 0.579492 0.400621 Ba\n0.250000 0.121173 0.291604 Tm\n0.750000 0.878827 0.708396 Tm\n0.750000 0.621174 0.208396 Tm\n0.250000 0.378827 0.791604 Tm\n0.250000 0.403571 0.075090 Tm\n0.750000 0.596430 0.924910 Tm\n0.750000 0.903571 0.424910 Tm\n0.250000 0.096429 0.575090 Tm\n0.250000 0.806365 0.153571 Co\n0.750000 0.193636 0.846429 Co\n0.250000 0.693636 0.653571 Co\n0.750000 0.306365 0.346429 Co\n0.500971 0.865066 0.275128 O\n0.750000 0.921558 0.895563 O\n0.250000 0.078443 0.104437 O\n0.999029 0.865066 0.275128 O\n0.499029 0.134935 0.724872 O\n0.000971 0.365066 0.224872 O\n0.500971 0.634935 0.775128 O\n0.000971 0.134935 0.724872 O\n0.999029 0.634935 0.775128 O\n0.497489 0.831639 0.564317 O\n0.497489 0.668362 0.064316 O\n0.997489 0.331639 0.935684 O\n0.502511 0.168361 0.435684 O\n0.002511 0.831639 0.564317 O\n0.502511 0.331639 0.935684 O\n0.002511 0.668362 0.064316 O\n0.750000 0.578443 0.395563 O\n0.997489 0.168361 0.435684 O\n0.499029 0.365066 0.224872 O\n0.250000 0.421558 0.604437 O\n","nsites":36,"nelements":4,"elements":["Ba","Tm","Co","O"],"chemical_system":"Ba-Co-O-Tm","density":8.46813589171176,"density_atomic":0.07473499651872953,"volume":481.7020362204466,"volume_molar":8.057992962494854,"formula_full":"Ba4 Tm8 Co4 O20","formula_reduced":"BaTm2CoO5","formula_anonymous":"ABC2D5","energy_above_hull":2.004526985555556,"spacegroup":62}]}