{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4621","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4619","results":[{"id":"jvasp-12698","created_at":"2022-09-04T14:38:10.675141Z","updated_at":"2022-09-04T14:38:10.675162Z","structure_string":"Ca2 Mn1 P2 H4 O10\n1.0\n5.539257 0.002776 -0.012297\n-1.870724 5.473976 0.002277\n-1.440320 -0.503689 6.404792\nCa Mn P H O\n2 1 2 4 10\ndirect\n0.331552 0.600754 0.233166 Ca\n0.668450 0.399248 0.766834 Ca\n0.000000 0.000000 0.000000 Mn\n0.351278 0.753173 0.766556 P\n0.648723 0.246828 0.233444 P\n0.808950 0.065918 0.562961 H\n0.191052 0.934084 0.437039 H\n0.084395 0.280503 0.658056 H\n0.915607 0.719498 0.341944 H\n0.697521 0.459298 0.400523 O\n0.383940 0.998244 0.669684 O\n0.616062 0.001757 0.330316 O\n0.121010 0.692058 0.881016 O\n0.932925 0.154516 0.698770 O\n0.604104 0.754605 0.931522 O\n0.395898 0.245396 0.068478 O\n0.302480 0.540703 0.599477 O\n0.878991 0.307943 0.118984 O\n0.067077 0.845485 0.301230 O\n","nsites":19,"nelements":5,"elements":["Ca","Mn","P","H","O"],"chemical_system":"Ca-H-Mn-O-P","density":3.088389317251133,"density_atomic":0.09786972133811776,"volume":194.1356298988458,"volume_molar":6.153221525169021,"formula_full":"Ca2 Mn1 P2 H4 O10","formula_reduced":"Ca2MnP2(H2O5)2","formula_anonymous":"AB2C2D4E10","energy_above_hull":2.785262320072595,"spacegroup":2},{"id":"jvasp-44713","created_at":"2022-09-04T14:38:07.131549Z","updated_at":"2022-09-04T14:38:07.131579Z","structure_string":"Li4 Mn2 Fe2 P4 O16\n1.0\n0.000000 4.704613 -0.002980\n5.953619 0.000000 0.000000\n0.000000 -0.029162 -10.169849\nLi Mn Fe P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.516372 0.250000 0.226101 Mn\n0.483628 0.750000 0.773899 Mn\n0.983610 0.250000 0.723067 Fe\n0.016390 0.750000 0.276933 Fe\n0.077963 0.250000 0.414955 P\n0.411478 0.250000 0.899202 P\n0.588522 0.750000 0.100798 P\n0.922037 0.750000 0.585045 P\n0.214275 0.457928 0.342665 O\n0.246596 0.750000 0.587841 O\n0.261842 0.750000 0.104934 O\n0.267104 0.044260 0.828894 O\n0.267104 0.455741 0.828894 O\n0.295401 0.250000 0.041779 O\n0.704599 0.750000 0.958222 O\n0.785725 0.957928 0.657335 O\n0.732896 0.955741 0.171106 O\n0.738158 0.250000 0.895066 O\n0.753403 0.250000 0.412159 O\n0.785725 0.542072 0.657335 O\n0.214275 0.042072 0.342665 O\n0.791249 0.750000 0.443899 O\n0.732896 0.544260 0.171106 O\n0.208751 0.250000 0.556101 O\n","nsites":28,"nelements":5,"elements":["Li","Mn","Fe","P","O"],"chemical_system":"Fe-Li-Mn-O-P","density":3.6679913234685264,"density_atomic":0.09829644127328455,"volume":284.852631868474,"volume_molar":6.126509446315759,"formula_full":"Li4 Mn2 Fe2 P4 O16","formula_reduced":"Li2MnFe(PO4)2","formula_anonymous":"ABC2D2E8","energy_above_hull":2.880953695812808,"spacegroup":11},{"id":"jvasp-108718","created_at":"2022-09-04T14:38:17.400584Z","updated_at":"2022-09-04T14:38:17.400605Z","structure_string":"Zn1 Cu2 Sn1 Se1 S3\n1.0\n5.048469 0.001295 -2.266345\n-1.004475 4.938192 -2.267540\n-0.007184 0.008771 6.782914\nZn Cu Sn Se S\n1 2 1 1 3\ndirect\n0.245914 0.763635 0.504803 Zn\n0.977505 0.980767 0.983893 Cu\n0.773393 0.246137 0.514141 Cu\n0.503694 0.506272 0.998536 Sn\n0.369721 0.358712 0.261288 Se\n0.888718 0.898307 0.257427 S\n0.106995 0.631243 0.740140 S\n0.634069 0.114921 0.739767 S\n","nsites":8,"nelements":5,"elements":["Zn","Cu","Sn","Se","S"],"chemical_system":"Cu-S-Se-Sn-Zn","density":4.774665708561909,"density_atomic":0.04729559054513124,"volume":169.1489609875174,"volume_molar":12.73298565593223,"formula_full":"Zn1 Cu2 Sn1 Se1 S3","formula_reduced":"ZnCu2SnSeS3","formula_anonymous":"ABCD2E3","energy_above_hull":0.6759432958333333,"spacegroup":1},{"id":"jvasp-59274","created_at":"2022-09-04T14:38:10.826541Z","updated_at":"2022-09-04T14:38:10.826566Z","structure_string":"Sr2 Li2 Ta4 O12 F2\n1.0\n7.440554 -0.036316 -0.013273\n3.688827 6.461866 -0.013273\n3.698956 2.135594 6.040369\nSr Li Ta O F\n2 2 4 12 2\ndirect\n0.625000 0.124999 0.625001 Sr\n0.125000 0.625000 0.625001 Sr\n0.625000 0.625000 0.125001 Li\n0.625000 0.624999 0.625001 Li\n0.625000 0.124999 0.125000 Ta\n0.125000 0.625000 0.125000 Ta\n0.125000 0.125000 0.125000 Ta\n0.125000 0.125000 0.625000 Ta\n0.813255 0.813255 0.186746 O\n0.809422 0.189411 0.806078 O\n0.809421 0.189411 0.195090 O\n0.189412 0.809421 0.806078 O\n0.196753 0.196752 0.803248 O\n0.436744 0.436744 0.063256 O\n0.189412 0.809421 0.195090 O\n0.440579 0.060588 0.054911 O\n0.060588 0.440579 0.443923 O\n0.053248 0.053247 0.446753 O\n0.060588 0.440579 0.054911 O\n0.440579 0.060588 0.443923 O\n0.724146 0.724145 0.775855 F\n0.525854 0.525854 0.474146 F\n","nsites":22,"nelements":5,"elements":["Sr","Li","Ta","O","F"],"chemical_system":"F-Li-O-Sr-Ta","density":6.507131191764485,"density_atomic":0.0754316704501892,"volume":291.65468388410613,"volume_molar":7.983570725742685,"formula_full":"Sr2 Li2 Ta4 O12 F2","formula_reduced":"SrLiTa2O6F","formula_anonymous":"ABCD2E6","energy_above_hull":2.7751741811363635,"spacegroup":74},{"id":"jvasp-44786","created_at":"2022-09-04T14:38:11.172373Z","updated_at":"2022-09-04T14:38:11.172395Z","structure_string":"Li4 Mn2 Fe2 B4 O12\n1.0\n5.184448 0.007013 0.042159\n2.579349 4.497277 -0.042159\n-0.129544 0.223288 10.172443\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.327078 0.656247 0.333562 Li\n0.343754 0.672922 0.833562 Li\n0.653995 0.335560 0.587108 Li\n0.664441 0.346006 0.087108 Li\n0.329238 0.006804 0.115326 Mn\n0.993197 0.670763 0.615326 Mn\n0.678538 0.003613 0.866973 Fe\n0.996388 0.321463 0.366973 Fe\n0.664061 0.000325 0.372885 B\n0.998256 0.668979 0.124240 B\n-0.000325 0.335940 0.872884 B\n0.331021 0.001745 0.624240 B\n0.752506 0.935668 0.084623 O\n0.064332 0.247495 0.584623 O\n0.257788 0.065660 0.897466 O\n0.016943 0.586456 0.839347 O\n0.577133 0.034551 0.652614 O\n0.274354 0.644854 0.138202 O\n0.355147 0.725646 0.638202 O\n0.644616 0.276384 0.385755 O\n0.723617 0.355384 0.885754 O\n0.413545 0.983058 0.339348 O\n0.965450 0.422867 0.152614 O\n0.934342 0.742212 0.397466 O\n","nsites":24,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.393778563469228,"density_atomic":0.10122596147439701,"volume":237.09332715076553,"volume_molar":5.949205788994332,"formula_full":"Li4 Mn2 Fe2 B4 O12","formula_reduced":"Li2MnFe(BO3)2","formula_anonymous":"ABC2D2E6","energy_above_hull":3.1275440756704977,"spacegroup":9},{"id":"jvasp-46827","created_at":"2022-09-04T14:38:09.824345Z","updated_at":"2022-09-04T14:38:09.824372Z","structure_string":"Na6 Cd2 P2 C2 O14\n1.0\n0.000000 5.181994 0.009687\n6.867283 0.000000 0.000000\n0.000000 -0.042858 -9.176255\nNa Cd P C O\n6 2 2 2 14\ndirect\n0.760236 0.250000 0.083227 Na\n0.241568 -0.002531 0.252228 Na\n0.241568 0.502531 0.252228 Na\n0.758431 0.497469 0.747772 Na\n0.758431 0.002531 0.747772 Na\n0.239763 0.750000 0.916773 Na\n0.767814 0.750000 0.370858 Cd\n0.232185 0.250000 0.629141 Cd\n0.297632 0.750000 0.594677 P\n0.702367 0.250000 0.405322 P\n0.736668 0.750000 0.059653 C\n0.263331 0.250000 0.940346 C\n0.468047 0.250000 0.858207 O\n0.202429 0.929155 0.682723 O\n0.202429 0.570844 0.682723 O\n0.599153 0.750000 0.592549 O\n0.798284 0.250000 0.565832 O\n0.201715 0.750000 0.434167 O\n0.289200 0.250000 0.080944 O\n0.797570 0.429156 0.317276 O\n0.797570 0.070844 0.317276 O\n0.531952 0.750000 0.141792 O\n0.965071 0.750000 0.118779 O\n0.034928 0.250000 0.881220 O\n0.400846 0.250000 0.407450 O\n0.710799 0.750000 0.919055 O\n","nsites":26,"nelements":5,"elements":["Na","Cd","P","C","O"],"chemical_system":"C-Cd-Na-O-P","density":3.420902055343902,"density_atomic":0.07962140103545762,"volume":326.5453717452357,"volume_molar":7.563469973755139,"formula_full":"Na6 Cd2 P2 C2 O14","formula_reduced":"Na3CdPCO7","formula_anonymous":"ABCD3E7","energy_above_hull":1.911464365384617,"spacegroup":11},{"id":"jvasp-46198","created_at":"2022-09-04T14:38:09.891836Z","updated_at":"2022-09-04T14:38:09.891853Z","structure_string":"Li4 Fe2 Ni2 P4 O16\n1.0\n0.000000 4.706110 -0.000691\n5.959381 0.000000 0.000000\n0.000000 -0.083885 -10.152907\nLi Fe Ni P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.022280 0.750000 0.277880 Fe\n0.977719 0.250000 0.722120 Fe\n0.525165 0.250000 0.221665 Ni\n0.474834 0.750000 0.778335 Ni\n0.417178 0.250000 0.908290 P\n0.921433 0.750000 0.595589 P\n0.078566 0.250000 0.404411 P\n0.582821 0.750000 0.091710 P\n0.276615 0.044651 0.835640 O\n0.276615 0.455349 0.835640 O\n0.787674 0.541440 0.666254 O\n0.787674 0.958560 0.666254 O\n0.247323 0.750000 0.596553 O\n0.207847 0.250000 0.545983 O\n0.792152 0.750000 0.454017 O\n0.257204 0.750000 0.095567 O\n0.212325 0.041440 0.333746 O\n0.212325 0.458560 0.333746 O\n0.723384 0.544651 0.164360 O\n0.723384 0.955349 0.164360 O\n0.742795 0.250000 0.904433 O\n0.295417 0.250000 0.049818 O\n0.752676 0.250000 0.403447 O\n0.704582 0.750000 0.950182 O\n","nsites":28,"nelements":5,"elements":["Li","Fe","Ni","P","O"],"chemical_system":"Fe-Li-Ni-O-P","density":3.7131944251327096,"density_atomic":0.09833403728998996,"volume":284.7437242653546,"volume_molar":6.124167100187833,"formula_full":"Li4 Fe2 Ni2 P4 O16","formula_reduced":"Li2FeNi(PO4)2","formula_anonymous":"ABC2D2E8","energy_above_hull":2.6007162071428573,"spacegroup":11},{"id":"jvasp-44143","created_at":"2022-09-04T14:38:28.228100Z","updated_at":"2022-09-04T14:38:28.228116Z","structure_string":"Li3 V1 P2 H1 O8\n1.0\n5.018022 0.057631 0.027311\n-2.069747 4.625696 -0.000994\n-0.029432 -0.038482 6.146704\nLi V P H O\n3 1 2 1 8\ndirect\n0.617103 0.223733 0.758082 Li\n0.000000 0.000000 0.500000 Li\n0.382897 0.776268 0.241918 Li\n0.000000 0.000000 0.000000 V\n0.638657 0.362110 0.245582 P\n0.361343 0.637891 0.754417 P\n0.000000 0.500001 0.500000 H\n0.755242 0.251405 0.050897 O\n0.776273 0.296838 0.460358 O\n0.305666 0.195722 0.261979 O\n0.271771 0.307441 0.764134 O\n0.728229 0.692560 0.235866 O\n0.694334 0.804279 0.738021 O\n0.223726 0.703163 0.539642 O\n0.244758 0.748596 0.949103 O\n","nsites":15,"nelements":5,"elements":["Li","V","P","H","O"],"chemical_system":"H-Li-O-P-V","density":3.041858241022332,"density_atomic":0.10459140363363059,"volume":143.4152280099706,"volume_molar":5.757777934690251,"formula_full":"Li3 V1 P2 H1 O8","formula_reduced":"Li3VP2HO8","formula_anonymous":"ABC2D3E8","energy_above_hull":2.686955546666667,"spacegroup":2},{"id":"jvasp-44774","created_at":"2022-09-04T14:38:06.842125Z","updated_at":"2022-09-04T14:38:06.842143Z","structure_string":"Li4 Mn3 Fe1 B4 O12\n1.0\n5.220835 0.008556 -0.018347\n0.146769 6.056933 -0.054982\n0.241890 1.589573 7.695335\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.572414 0.875924 0.806791 Li\n0.927088 0.623284 0.692297 Li\n0.070914 0.375192 0.306703 Li\n0.428008 0.125824 0.195370 Li\n0.425903 0.411404 0.825072 Mn\n0.072074 0.086725 0.673481 Mn\n0.575657 0.590996 0.177352 Mn\n0.928842 0.911255 0.323346 Fe\n0.077484 0.740683 0.000806 B\n0.575099 0.240497 0.499806 B\n0.425345 0.761908 0.498278 B\n0.922043 0.256719 0.000704 B\n0.071902 0.155642 0.137645 O\n0.339836 0.714020 0.976428 O\n0.925563 0.836424 0.864002 O\n0.035964 0.341136 0.838632 O\n0.160586 0.787099 0.517767 O\n0.572028 0.662043 0.636091 O\n0.544284 0.847906 0.338249 O\n0.463087 0.156435 0.662751 O\n0.422830 0.340302 0.364459 O\n0.837511 0.215616 0.474885 O\n0.965457 0.658903 0.164174 O\n0.660073 0.284056 0.024901 O\n","nsites":24,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.2940677332386215,"density_atomic":0.09843613564258104,"volume":243.81290309021634,"volume_molar":6.117815089639675,"formula_full":"Li4 Mn3 Fe1 B4 O12","formula_reduced":"Li4Mn3Fe(BO3)4","formula_anonymous":"AB3C4D4E12","energy_above_hull":3.406012064894636,"spacegroup":1},{"id":"jvasp-117447","created_at":"2022-09-04T14:38:27.536538Z","updated_at":"2022-09-04T14:38:27.536556Z","structure_string":"Na6 Ni2 B2 P2 O14\n1.0\n6.691042 -0.000000 0.000000\n0.000000 5.069685 0.165885\n0.000000 0.033398 8.741283\nNa Ni B P O\n6 2 2 2 14\ndirect\n0.750000 0.227251 0.920685 Na\n0.990877 0.745873 0.733299 Na\n0.509122 0.745873 0.733299 Na\n0.490877 0.254128 0.266700 Na\n0.009122 0.254128 0.266700 Na\n0.250000 0.772751 0.079314 Na\n0.250000 0.217604 0.661495 Ni\n0.750000 0.782397 0.338504 Ni\n0.750000 0.724363 0.071110 B\n0.250000 0.275639 0.928890 B\n0.750000 0.279505 0.580373 P\n0.250000 0.720496 0.419626 P\n0.750000 0.523802 0.184912 O\n0.066865 0.786450 0.316464 O\n0.433135 0.786450 0.316464 O\n0.250000 0.416979 0.463874 O\n0.750000 0.127107 0.431282 O\n0.250000 0.872894 0.568717 O\n0.750000 0.694803 0.919975 O\n0.566865 0.213551 0.683535 O\n0.933135 0.213551 0.683535 O\n0.250000 0.476200 0.815087 O\n0.250000 0.034468 0.856556 O\n0.750000 0.965533 0.143443 O\n0.750000 0.583022 0.536125 O\n0.250000 0.305198 0.080025 O\n","nsites":26,"nelements":5,"elements":["Na","Ni","B","P","O"],"chemical_system":"B-Na-Ni-O-P","density":3.1526397450216237,"density_atomic":0.08769558577712157,"volume":296.48014514754516,"volume_molar":6.867096794706723,"formula_full":"Na6 Ni2 B2 P2 O14","formula_reduced":"Na3NiBPO7","formula_anonymous":"ABCD3E7","energy_above_hull":2.0371255371794867,"spacegroup":11},{"id":"jvasp-35239","created_at":"2022-09-04T14:38:06.501501Z","updated_at":"2022-09-04T14:38:06.501531Z","structure_string":"Ba2 Cu1 C1 N2 O2\n1.0\n3.945509 0.000000 0.000000\n0.000000 3.945509 0.000000\n-0.000000 0.000000 8.496836\nBa Cu C N O\n2 1 1 2 2\ndirect\n0.500000 0.500000 0.724463 Ba\n0.500000 0.500000 0.275537 Ba\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.853835 N\n0.000000 0.000000 0.146166 N\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n","nsites":8,"nelements":5,"elements":["Ba","Cu","C","N","O"],"chemical_system":"Ba-C-Cu-N-O","density":5.1499816937439356,"density_atomic":0.06048207388103772,"volume":132.2705966686131,"volume_molar":9.956901894344691,"formula_full":"Ba2 Cu1 C1 N2 O2","formula_reduced":"Ba2CuC(NO)2","formula_anonymous":"ABC2D2E2","energy_above_hull":2.77537448625,"spacegroup":123},{"id":"jvasp-44136","created_at":"2022-09-04T14:38:18.158761Z","updated_at":"2022-09-04T14:38:18.158782Z","structure_string":"Li2 Mn1 Fe1 B2 O6\n1.0\n5.163435 -0.004354 -0.029034\n-2.563735 4.514180 0.016082\n-2.403981 -1.445578 5.194593\nLi Mn Fe B O\n2 1 1 2 6\ndirect\n0.549800 0.619267 0.315108 Li\n0.451032 0.381055 0.683005 Li\n0.833497 0.248274 0.233708 Mn\n0.161075 0.748269 0.764134 Fe\n0.179748 0.921383 0.258486 B\n0.821176 0.079503 0.742819 B\n0.940865 0.682313 0.306298 O\n0.376092 0.870951 0.179557 O\n0.234259 0.210136 0.297501 O\n0.779317 0.795868 0.706314 O\n0.610418 0.116428 0.811614 O\n0.062713 0.326556 0.701456 O\n","nsites":12,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.332717987597595,"density_atomic":0.09940471256696444,"volume":120.71862279080727,"volume_molar":6.058204489996546,"formula_full":"Li2 Mn1 Fe1 B2 O6","formula_reduced":"Li2MnFe(BO3)2","formula_anonymous":"ABC2D2E6","energy_above_hull":3.128136575670498,"spacegroup":1}]}