{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4341","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=nelements&page=4339","results":[{"id":"jvasp-34365","created_at":"2022-09-04T14:37:19.692899Z","updated_at":"2022-09-04T14:37:19.692927Z","structure_string":"Sm2 Ta2 Cl2 O7\n1.0\n3.803255 -0.000015 -0.970803\n-0.693395 6.320550 -2.716182\n-0.003216 -0.012124 7.922167\nSm Ta Cl O\n2 2 2 7\ndirect\n0.306590 0.835112 0.613186 Sm\n0.693409 0.164889 0.386815 Sm\n0.965149 0.200237 0.930297 Ta\n0.034850 0.799765 0.069705 Ta\n0.678577 0.565109 0.357162 Cl\n0.321422 0.434893 0.642839 Cl\n0.453417 0.158534 0.906833 O\n0.546582 0.841468 0.093168 O\n0.917007 0.844747 0.834024 O\n0.000001 0.500000 0.000000 O\n0.823071 0.066405 0.646144 O\n0.082992 0.155255 0.165978 O\n0.176928 0.933596 0.353857 O\n","nsites":13,"nelements":4,"elements":["Sm","Ta","Cl","O"],"chemical_system":"Cl-O-Sm-Ta","density":7.378481343626438,"density_atomic":0.06831854472687737,"volume":190.2850836763453,"volume_molar":8.814796603287151,"formula_full":"Sm2 Ta2 Cl2 O7","formula_reduced":"Sm2Ta2Cl2O7","formula_anonymous":"A2B2C2D7","energy_above_hull":2.9258929834615386,"spacegroup":12},{"id":"jvasp-9974","created_at":"2022-09-04T14:37:19.691858Z","updated_at":"2022-09-04T14:37:19.691881Z","structure_string":"Ba2 Y1 Sb1 O6\n1.0\n5.201146 -0.000000 3.002884\n1.733715 4.903688 3.002884\n0.000000 -0.000000 6.005767\nBa Y Sb O\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Y\n0.500001 0.500000 0.499999 Sb\n0.262783 0.737218 0.737216 O\n0.262783 0.737218 0.262782 O\n0.737218 0.262783 0.737217 O\n0.262783 0.262783 0.737217 O\n0.737218 0.262783 0.262782 O\n0.737218 0.737218 0.262781 O\n","nsites":10,"nelements":4,"elements":["Ba","Y","Sb","O"],"chemical_system":"Ba-O-Sb-Y","density":6.301895632597149,"density_atomic":0.06528443436329932,"volume":153.1758695242929,"volume_molar":9.224466473106862,"formula_full":"Ba2 Y1 Sb1 O6","formula_reduced":"Ba2YSbO6","formula_anonymous":"ABC2D6","energy_above_hull":1.923681449,"spacegroup":225},{"id":"jvasp-25569","created_at":"2022-09-04T14:37:45.522975Z","updated_at":"2022-09-04T14:37:45.522988Z","structure_string":"K8 Ba2 Ge6 O18\n1.0\n7.514592 0.003284 -0.050505\n-2.794506 6.975660 -0.050505\n-0.008896 -0.013154 11.440485\nK Ba Ge O\n8 2 6 18\ndirect\n0.842277 0.706774 0.749035 K\n0.056490 0.943510 -0.000000 K\n0.293226 0.157722 0.250965 K\n0.565663 0.434336 -0.000000 K\n0.586282 0.413717 0.500000 K\n0.418280 0.686116 0.254840 K\n0.996396 0.003603 0.500000 K\n0.313883 0.581720 0.745159 K\n0.801247 0.183552 0.224699 Ba\n0.816446 0.198752 0.775300 Ba\n0.101337 0.505989 0.032356 Ge\n0.488143 0.911143 0.522401 Ge\n0.494010 0.898663 0.967644 Ge\n0.886845 0.666339 0.259219 Ge\n0.333660 0.113154 0.740780 Ge\n0.088857 0.511856 0.477598 Ge\n0.108988 0.287383 0.075213 O\n0.712616 0.891012 0.924786 O\n0.483745 0.055169 0.078617 O\n0.974374 0.459994 0.612829 O\n0.093042 0.328436 0.384377 O\n0.671563 0.906958 0.615622 O\n0.660093 0.480513 0.246145 O\n0.374120 0.935913 0.834441 O\n0.345384 0.654615 0.500000 O\n0.064087 0.625879 0.165559 O\n0.944830 0.516255 0.921383 O\n0.350805 0.649194 -0.000000 O\n0.335694 0.021651 0.592361 O\n0.099552 0.094500 0.761720 O\n0.905500 0.900447 0.238279 O\n0.540005 0.025625 0.387171 O\n0.978348 0.664306 0.407639 O\n0.519486 0.339907 0.753854 O\n","nsites":34,"nelements":4,"elements":["K","Ba","Ge","O"],"chemical_system":"Ba-Ge-K-O","density":3.6302551046522535,"density_atomic":0.05668589024288368,"volume":599.796525278499,"volume_molar":10.623703242900056,"formula_full":"K8 Ba2 Ge6 O18","formula_reduced":"K4Ba(GeO3)3","formula_anonymous":"AB3C4D9","energy_above_hull":1.3627863129411764,"spacegroup":5},{"id":"jvasp-41954","created_at":"2022-09-04T14:37:44.421238Z","updated_at":"2022-09-04T14:37:44.421259Z","structure_string":"Sr6 Co2 C6 N6\n1.0\n4.352990 -7.539598 -0.000000\n4.352990 7.539599 -0.000000\n0.000000 0.000000 5.396037\nSr Co C N\n6 2 6 6\ndirect\n0.370559 0.306741 0.750000 Sr\n0.693259 0.063818 0.750000 Sr\n0.306741 0.936182 0.250000 Sr\n0.629441 0.693259 0.250000 Sr\n0.936182 0.629441 0.750000 Sr\n0.063818 0.370559 0.250000 Sr\n0.333333 0.666667 0.750000 Co\n0.666667 0.333333 0.250000 Co\n0.695162 0.146957 0.250000 C\n0.304839 0.853043 0.750000 C\n0.853043 0.548205 0.250000 C\n0.548205 0.695161 0.750000 C\n0.146957 0.451795 0.750000 C\n0.451795 0.304839 0.250000 C\n0.977965 0.703594 0.250000 N\n0.022035 0.296406 0.750000 N\n0.703594 0.725629 0.750000 N\n0.296406 0.274371 0.250000 N\n0.725629 0.022035 0.250000 N\n0.274371 0.977965 0.750000 N\n","nsites":20,"nelements":4,"elements":["Sr","Co","C","N"],"chemical_system":"C-Co-N-Sr","density":3.7491290386292153,"density_atomic":0.05646628193837523,"volume":354.19367653473455,"volume_molar":10.665020881970404,"formula_full":"Sr6 Co2 C6 N6","formula_reduced":"Sr3Co(CN)3","formula_anonymous":"AB3C3D3","energy_above_hull":4.137626958,"spacegroup":176},{"id":"jvasp-12648","created_at":"2022-09-04T14:37:19.785837Z","updated_at":"2022-09-04T14:37:19.785857Z","structure_string":"Mn1 Sn1 B2 O6\n1.0\n4.369392 -0.014845 3.838555\n1.728230 4.013108 3.838555\n-0.022639 -0.014845 5.815977\nMn Sn B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.500002 0.500000 Sn\n0.754059 0.754063 0.754061 B\n0.245940 0.245940 0.245940 B\n0.045014 0.744455 0.470218 O\n0.744452 0.470218 0.045016 O\n0.529781 0.954986 0.255548 O\n0.470215 0.045017 0.744454 O\n0.954985 0.255548 0.529782 O\n0.255545 0.529785 0.954986 O\n","nsites":10,"nelements":4,"elements":["Mn","Sn","B","O"],"chemical_system":"B-Mn-O-Sn","density":4.7125592299898535,"density_atomic":0.09743551143573552,"volume":102.63198553225219,"volume_molar":6.180642633535063,"formula_full":"Mn1 Sn1 B2 O6","formula_reduced":"MnSn(BO3)2","formula_anonymous":"ABC2D6","energy_above_hull":3.1483015108045977,"spacegroup":148},{"id":"jvasp-13834","created_at":"2022-09-04T14:37:19.381320Z","updated_at":"2022-09-04T14:37:19.381343Z","structure_string":"Ba2 Y1 Cu4 O8\n1.0\n3.946570 0.000000 0.000000\n0.000000 3.718767 -0.532730\n0.000000 0.194320 14.602415\nBa Y Cu O\n2 1 4 8\ndirect\n0.500000 0.358683 0.717366 Ba\n0.500000 0.641317 0.282635 Ba\n0.500000 0.000000 0.000000 Y\n0.000000 0.925495 0.850988 Cu\n0.000000 0.074506 0.149012 Cu\n0.000000 0.786541 0.573081 Cu\n0.000000 0.213460 0.426920 Cu\n0.000000 0.851136 0.702271 O\n0.000000 0.148865 0.297729 O\n0.000000 0.455701 0.911402 O\n0.000000 0.544300 0.088599 O\n0.500000 0.925189 0.850377 O\n0.500000 0.074812 0.149623 O\n0.000000 0.279599 0.559198 O\n0.000000 0.720402 0.440803 O\n","nsites":15,"nelements":4,"elements":["Ba","Y","Cu","O"],"chemical_system":"Ba-Cu-O-Y","density":5.767205026283612,"density_atomic":0.06985872700121112,"volume":214.71905721585722,"volume_molar":8.62045590938924,"formula_full":"Ba2 Y1 Cu4 O8","formula_reduced":"Ba2Y(CuO2)4","formula_anonymous":"AB2C4D8","energy_above_hull":1.5515358126666667,"spacegroup":65},{"id":"jvasp-35227","created_at":"2022-09-04T14:37:44.440061Z","updated_at":"2022-09-04T14:37:44.440076Z","structure_string":"Ba2 Y1 Cu3 O6\n1.0\n3.905598 0.000000 0.000000\n0.000000 3.878321 0.000000\n0.000000 0.000000 11.740711\nBa Y Cu O\n2 1 3 6\ndirect\n0.500000 0.500000 0.822730 Ba\n0.500000 0.500000 0.169811 Ba\n0.500000 0.500000 0.512064 Y\n0.000000 0.000000 0.647604 Cu\n0.000000 0.000000 0.347404 Cu\n0.000000 0.000000 0.001543 Cu\n0.000000 0.500000 0.003464 O\n0.500000 0.000000 0.628658 O\n0.500000 0.000000 0.382857 O\n0.000000 0.500000 0.596776 O\n0.000000 0.000000 0.837646 O\n0.000000 0.000000 0.171095 O\n","nsites":12,"nelements":4,"elements":["Ba","Y","Cu","O"],"chemical_system":"Ba-Cu-O-Y","density":6.071088063399298,"density_atomic":0.0674769675003082,"volume":177.83846021155574,"volume_molar":8.924735332797066,"formula_full":"Ba2 Y1 Cu3 O6","formula_reduced":"Ba2Y(CuO2)3","formula_anonymous":"AB2C3D6","energy_above_hull":1.4202408116666665,"spacegroup":25},{"id":"jvasp-30358","created_at":"2022-09-04T14:37:14.232784Z","updated_at":"2022-09-04T14:37:14.232804Z","structure_string":"Ti1 V2 Cr1 O10\n1.0\n6.625328 -0.000000 0.000000\n0.000000 6.625328 -0.000000\n-0.000000 -0.000000 4.158000\nTi V Cr O\n1 2 1 10\ndirect\n0.750000 0.250000 0.500000 Ti\n0.250000 0.250000 0.644494 V\n0.750000 0.750000 0.355506 V\n0.250000 0.750000 0.500000 Cr\n0.045478 0.750000 0.269983 O\n0.250000 0.250000 0.254726 O\n0.250000 0.545478 0.730017 O\n0.250000 0.954523 0.730017 O\n0.454523 0.750000 0.269983 O\n0.517716 0.250000 0.742626 O\n0.750000 0.017716 0.257374 O\n0.750000 0.482284 0.257374 O\n0.750000 0.750000 0.745274 O\n0.982284 0.250000 0.742626 O\n","nsites":14,"nelements":4,"elements":["Ti","V","Cr","O"],"chemical_system":"Cr-O-Ti-V","density":3.291141078914508,"density_atomic":0.07670590234018013,"volume":182.5152898653343,"volume_molar":7.850948331580319,"formula_full":"Ti1 V2 Cr1 O10","formula_reduced":"TiV2CrO10","formula_anonymous":"ABC2D10","energy_above_hull":3.491997795238095,"spacegroup":115},{"id":"jvasp-54805","created_at":"2022-09-04T14:37:44.444719Z","updated_at":"2022-09-04T14:37:44.444734Z","structure_string":"K4 Ag4 Sn2 Se8\n1.0\n0.000000 7.601103 0.002158\n5.874617 0.000000 0.000000\n0.000000 -4.985982 -11.304804\nK Ag Sn Se\n4 4 2 8\ndirect\n0.000000 0.523754 0.750000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.476246 0.250000 K\n0.000000 0.000000 0.500000 K\n0.499217 0.750637 0.967728 Ag\n0.499217 0.249363 0.467728 Ag\n0.500783 0.249363 0.032271 Ag\n0.500783 0.750637 0.532271 Ag\n0.500000 0.749526 0.250000 Sn\n0.500000 0.250475 0.750000 Sn\n0.740394 0.028565 0.690981 Se\n0.260268 0.524224 0.072577 Se\n0.739731 0.475777 0.927422 Se\n0.739731 0.524224 0.427423 Se\n0.259606 0.028565 0.809018 Se\n0.260268 0.475777 0.572577 Se\n0.740394 0.971436 0.190981 Se\n0.259606 0.971436 0.309019 Se\n","nsites":18,"nelements":4,"elements":["K","Ag","Sn","Se"],"chemical_system":"Ag-K-Se-Sn","density":4.793289795583384,"density_atomic":0.03566216270826522,"volume":504.7366349385266,"volume_molar":16.88663923515856,"formula_full":"K4 Ag4 Sn2 Se8","formula_reduced":"K2Ag2SnSe4","formula_anonymous":"AB2C2D4","energy_above_hull":0.3980672985185184,"spacegroup":13},{"id":"jvasp-22191","created_at":"2022-09-04T14:37:29.766203Z","updated_at":"2022-09-04T14:37:29.766222Z","structure_string":"Rb2 Na1 Ti1 F6\n1.0\n5.222382 -0.000000 3.015143\n1.740794 4.923709 3.015143\n0.000000 0.000000 6.030287\nRb Na Ti F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ti\n0.233330 0.766669 0.766669 F\n0.233330 0.766669 0.233331 F\n0.766668 0.233331 0.766669 F\n0.233331 0.233331 0.766669 F\n0.766668 0.233331 0.233331 F\n0.766668 0.766669 0.233331 F\n","nsites":10,"nelements":4,"elements":["Rb","Na","Ti","F"],"chemical_system":"F-Na-Rb-Ti","density":3.8100882652077934,"density_atomic":0.06449128117484704,"volume":155.05971997808925,"volume_molar":9.337914599142376,"formula_full":"Rb2 Na1 Ti1 F6","formula_reduced":"Rb2NaTiF6","formula_anonymous":"ABC2D6","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-40480","created_at":"2022-09-04T14:37:44.449393Z","updated_at":"2022-09-04T14:37:44.449421Z","structure_string":"Li1 La1 Nb2 O7\n1.0\n0.000000 3.919032 -0.000000\n1.959516 -1.959516 9.835887\n3.919032 0.000000 0.000000\nLi La Nb O\n1 1 2 7\ndirect\n0.249999 0.500000 0.250000 Li\n0.000000 0.000000 0.000000 La\n0.617125 0.234252 0.382875 Nb\n0.382874 0.765749 0.617126 Nb\n0.404403 0.808808 0.095597 O\n0.500000 0.000000 0.500000 O\n0.095596 0.191193 0.404404 O\n0.709378 0.418758 0.290621 O\n0.907299 0.814602 0.592700 O\n0.290620 0.581242 0.709379 O\n0.592699 0.185398 0.907300 O\n","nsites":11,"nelements":4,"elements":["Li","La","Nb","O"],"chemical_system":"La-Li-Nb-O","density":4.87666987670576,"density_atomic":0.07281511423976231,"volume":151.06753748651275,"volume_molar":8.270454318275966,"formula_full":"Li1 La1 Nb2 O7","formula_reduced":"LiLaNb2O7","formula_anonymous":"ABC2D7","energy_above_hull":3.0809516636363634,"spacegroup":119},{"id":"jvasp-57520","created_at":"2022-09-04T14:37:29.745297Z","updated_at":"2022-09-04T14:37:29.745320Z","structure_string":"Ca4 Al4 Si2 O14\n1.0\n7.666501 0.000000 0.000000\n0.000000 7.666501 -0.000000\n0.000000 0.000000 5.145971\nCa Al Si O\n4 4 2 14\ndirect\n0.844620 0.344620 0.485057 Ca\n0.155380 0.655380 0.485057 Ca\n0.655380 0.844620 0.514943 Ca\n0.344620 0.155380 0.514943 Ca\n0.644550 0.144551 0.026440 Al\n0.355449 0.855449 0.026440 Al\n0.855449 0.644550 0.973560 Al\n0.144551 0.355449 0.973560 Al\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.854823 0.645177 0.309887 O\n0.093757 0.150842 0.820049 O\n0.150842 0.906243 0.179951 O\n0.000000 0.500000 0.821192 O\n0.500000 0.000000 0.178808 O\n0.849158 0.093757 0.179951 O\n0.406243 0.650842 0.179951 O\n0.145177 0.354823 0.309887 O\n0.349158 0.406243 0.820049 O\n0.354823 0.854823 0.690113 O\n0.906243 0.849158 0.820049 O\n0.645177 0.145177 0.690113 O\n0.650842 0.593757 0.820049 O\n0.593757 0.349158 0.179951 O\n","nsites":24,"nelements":4,"elements":["Ca","Al","Si","O"],"chemical_system":"Al-Ca-O-Si","density":3.0108243052403654,"density_atomic":0.07935047191927458,"volume":302.45566812023327,"volume_molar":7.589294196166206,"formula_full":"Ca4 Al4 Si2 O14","formula_reduced":"Ca2Al2SiO7","formula_anonymous":"AB2C2D7","energy_above_hull":2.015294961666667,"spacegroup":113}]}