{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=489","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_anonymous&page=487","results":[{"id":"jvasp-9445","created_at":"2022-09-04T14:38:11.787294Z","updated_at":"2022-09-04T14:38:11.787319Z","structure_string":"Nd2 Nb2 O8\n1.0\n4.887937 0.019793 -1.846714\n-1.233758 4.943717 -2.089099\n-0.020699 0.000718 6.775720\nNd Nb O\n2 2 8\ndirect\n0.121109 0.371110 0.742219 Nd\n0.878891 0.628890 0.257781 Nd\n0.644358 0.894358 0.788717 Nb\n0.355642 0.105642 0.211284 Nb\n0.785654 0.945248 0.583673 O\n0.298018 0.638425 0.583672 O\n0.214346 0.054752 0.416328 O\n0.701982 0.361576 0.416328 O\n0.081025 0.275007 0.064600 O\n0.483574 0.789594 0.064600 O\n0.918975 0.724993 0.935400 O\n0.516426 0.210407 0.935400 O\n","nsites":12,"nelements":3,"elements":["Nd","Nb","O"],"chemical_system":"Nb-Nd-O","density":6.108826944606279,"density_atomic":0.07329644397367607,"volume":163.71872016478343,"volume_molar":8.216143148994803,"formula_full":"Nd2 Nb2 O8","formula_reduced":"NdNbO4","formula_anonymous":"ABC4","energy_above_hull":2.554797483333333,"spacegroup":15},{"id":"jvasp-11699","created_at":"2022-09-04T14:37:59.899923Z","updated_at":"2022-09-04T14:37:59.899951Z","structure_string":"Er2 V2 O8\n1.0\n5.028346 -0.000035 -0.000061\n-0.000067 5.028330 -0.000134\n-2.514120 -2.514114 5.561405\nEr V O\n2 2 8\ndirect\n0.874994 0.624991 0.249997 Er\n0.125006 0.375009 0.750003 Er\n0.374996 0.125005 0.250006 V\n0.625004 0.874994 0.749994 V\n0.199918 0.057494 0.412800 O\n0.557509 0.212874 0.912797 O\n0.855286 0.699922 0.912797 O\n0.712880 0.355314 0.412812 O\n0.287120 0.644686 0.587188 O\n0.144714 0.300077 0.087203 O\n0.442491 0.787125 0.087203 O\n0.800082 0.942506 0.587200 O\n","nsites":12,"nelements":3,"elements":["Er","V","O"],"chemical_system":"Er-O-V","density":6.665110342997863,"density_atomic":0.08534054484492122,"volume":140.61311679936085,"volume_molar":7.056599850567264,"formula_full":"Er2 V2 O8","formula_reduced":"ErVO4","formula_anonymous":"ABC4","energy_above_hull":2.3023947000000007,"spacegroup":88},{"id":"jvasp-30498","created_at":"2022-09-04T14:38:00.119855Z","updated_at":"2022-09-04T14:38:00.119878Z","structure_string":"Hf1 Te1 Se4\n1.0\n0.000000 -3.864034 0.000000\n-6.156496 0.000000 0.040013\n0.045602 0.000000 -6.850361\nHf Te Se\n1 1 4\ndirect\n0.499999 0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Te\n0.000000 0.746966 0.653981 Se\n0.499999 0.261609 0.817622 Se\n0.499999 0.738392 0.182379 Se\n0.000000 0.253035 0.346020 Se\n","nsites":6,"nelements":3,"elements":["Hf","Te","Se"],"chemical_system":"Hf-Se-Te","density":6.337549941554837,"density_atomic":0.036819852235552765,"volume":162.9555697729411,"volume_molar":16.35568964664421,"formula_full":"Hf1 Te1 Se4","formula_reduced":"HfTeSe4","formula_anonymous":"ABC4","energy_above_hull":2.099002372222223,"spacegroup":10},{"id":"jvasp-20928","created_at":"2022-09-04T14:38:05.178721Z","updated_at":"2022-09-04T14:38:05.178736Z","structure_string":"Sm4 P4 O16\n1.0\n0.000000 6.393439 0.018779\n6.917508 0.000000 0.000000\n0.000000 -4.760187 -6.530681\nSm P O\n4 4 16\ndirect\n0.183376 0.655223 0.781178 Sm\n0.816623 0.155223 0.718822 Sm\n0.816623 0.344777 0.218822 Sm\n0.183376 0.844777 0.281178 Sm\n0.688401 0.661245 0.801904 P\n0.311598 0.161245 0.698095 P\n0.311598 0.338755 0.198095 P\n0.688401 0.838755 0.301904 P\n0.119641 0.164793 0.117145 O\n0.880359 0.664793 0.382855 O\n0.812500 0.502958 0.750252 O\n0.187499 0.002958 0.749748 O\n0.187500 0.497042 0.249748 O\n0.812500 0.997042 0.250252 O\n0.659393 0.897584 0.472324 O\n0.407727 0.789804 0.120753 O\n0.340607 0.102417 0.527676 O\n0.659392 0.602417 0.972324 O\n0.119641 0.335207 0.617145 O\n0.592273 0.289804 0.379247 O\n0.592273 0.210196 0.879247 O\n0.407727 0.710197 0.620752 O\n0.340607 0.397584 0.027676 O\n0.880359 0.835207 0.882855 O\n","nsites":24,"nelements":3,"elements":["Sm","P","O"],"chemical_system":"O-P-Sm","density":5.653928149320108,"density_atomic":0.08327207144571717,"volume":288.2118768433058,"volume_molar":7.2318853793923825,"formula_full":"Sm4 P4 O16","formula_reduced":"SmPO4","formula_anonymous":"ABC4","energy_above_hull":2.0868763958333334,"spacegroup":14},{"id":"jvasp-14144","created_at":"2022-09-04T14:37:50.199381Z","updated_at":"2022-09-04T14:37:50.199401Z","structure_string":"Lu4 P4 S16\n1.0\n0.000000 8.128957 0.322207\n6.447472 0.000000 0.000000\n0.000000 -6.359142 -10.784139\nLu P S\n4 4 16\ndirect\n0.561474 0.326006 0.166631 Lu\n0.438526 0.826006 0.333369 Lu\n0.438527 0.673993 0.833369 Lu\n0.561474 0.173993 0.666631 Lu\n0.702379 0.225664 0.967320 P\n0.297622 0.725664 0.532680 P\n0.297622 0.774335 0.032680 P\n0.702379 0.274336 0.467320 P\n0.244287 0.553923 0.130335 S\n0.755713 0.053923 0.369665 S\n0.735561 0.953418 0.892282 S\n0.264439 0.453418 0.607718 S\n0.264439 0.046582 0.107717 S\n0.735561 0.546582 0.392282 S\n0.876121 0.245388 0.157884 S\n0.411798 0.266997 0.910615 S\n0.123880 0.754612 0.842115 S\n0.876121 0.254612 0.657884 S\n0.244287 0.946077 0.630335 S\n0.588203 0.766997 0.589385 S\n0.588203 0.733002 0.089385 S\n0.411798 0.233003 0.410615 S\n0.123879 0.745388 0.342115 S\n0.755713 0.446077 0.869665 S\n","nsites":24,"nelements":3,"elements":["Lu","P","S"],"chemical_system":"Lu-P-S","density":4.021406721906529,"density_atomic":0.04347831620006959,"volume":551.9992975248105,"volume_molar":13.8509061213147,"formula_full":"Lu4 P4 S16","formula_reduced":"LuPS4","formula_anonymous":"ABC4","energy_above_hull":2.0181602083333336,"spacegroup":14},{"id":"jvasp-27159","created_at":"2022-09-04T14:37:58.887368Z","updated_at":"2022-09-04T14:37:58.887389Z","structure_string":"Ba2 Sn2 Ge6 O18\n1.0\n3.495801 -6.054905 0.000000\n3.495801 6.054905 -0.000000\n0.000000 -0.000000 10.406532\nBa Sn Ge O\n2 2 6 18\ndirect\n0.666667 0.333333 0.000000 Ba\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.000000 Sn\n0.333333 0.666667 0.500000 Sn\n0.073002 0.294692 0.250000 Ge\n0.705308 0.778310 0.250000 Ge\n0.221690 0.926998 0.250000 Ge\n0.221690 0.294692 0.750000 Ge\n0.073002 0.778309 0.750000 Ge\n0.705308 0.926998 0.750000 Ge\n0.568273 0.926451 0.891602 O\n0.073549 0.431727 0.391602 O\n0.358178 0.926450 0.391602 O\n0.073549 0.431727 0.108398 O\n0.358178 0.926450 0.108398 O\n0.568273 0.641822 0.108398 O\n0.358178 0.431727 0.891602 O\n0.568273 0.926451 0.608398 O\n0.793780 0.066029 0.250000 O\n0.073549 0.641822 0.891602 O\n0.272249 0.206220 0.250000 O\n0.933971 0.727751 0.250000 O\n0.073549 0.641822 0.608398 O\n0.793780 0.727751 0.750000 O\n0.933971 0.206220 0.750000 O\n0.272249 0.066029 0.750000 O\n0.358178 0.431727 0.608398 O\n0.568273 0.641822 0.391602 O\n","nsites":28,"nelements":4,"elements":["Ba","Sn","Ge","O"],"chemical_system":"Ba-Ge-O-Sn","density":4.658472098649816,"density_atomic":0.06355767118333429,"volume":440.5447757711738,"volume_molar":9.47508089563088,"formula_full":"Ba2 Sn2 Ge6 O18","formula_reduced":"BaSn(GeO3)3","formula_anonymous":"ABC3D9","energy_above_hull":1.999323358571428,"spacegroup":188},{"id":"jvasp-113019","created_at":"2022-09-04T14:38:44.789321Z","updated_at":"2022-09-04T14:38:44.789342Z","structure_string":"K2 Cd2 P6 O18\n1.0\n6.806659 -0.000000 0.000000\n-3.403329 5.894740 0.000000\n-0.000000 -0.000000 10.174247\nK Cd P O\n2 2 6 18\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 -0.000000 Cd\n0.666667 0.333333 0.500000 Cd\n0.062533 0.433541 0.750000 P\n0.062533 0.628993 0.250000 P\n0.566459 0.628993 0.750000 P\n0.566459 0.937467 0.250000 P\n0.371007 0.433541 0.250000 P\n0.371007 0.937467 0.750000 P\n0.380928 0.054275 0.876662 O\n0.301838 0.864062 0.250000 O\n0.135938 0.698162 0.750000 O\n0.562224 0.698162 0.250000 O\n0.135938 0.437776 0.250000 O\n0.673347 0.619072 0.876662 O\n0.673347 0.619072 0.623338 O\n0.673347 0.054275 0.376662 O\n0.945725 0.326653 0.623338 O\n0.380928 0.054275 0.623338 O\n0.380928 0.326653 0.376662 O\n0.673347 0.054275 0.123338 O\n0.562224 0.864062 0.750000 O\n0.945725 0.619072 0.376662 O\n0.380928 0.326653 0.123338 O\n0.945725 0.619072 0.123338 O\n0.945725 0.326653 0.876662 O\n0.301838 0.437776 0.750000 O\n","nsites":28,"nelements":4,"elements":["K","Cd","P","O"],"chemical_system":"Cd-K-O-P","density":3.159988851930981,"density_atomic":0.0685894161922592,"volume":408.22624764023,"volume_molar":8.779985447200296,"formula_full":"K2 Cd2 P6 O18","formula_reduced":"KCd(PO3)3","formula_anonymous":"ABC3D9","energy_above_hull":2.2982575535714287,"spacegroup":188},{"id":"jvasp-113038","created_at":"2022-09-04T14:38:44.338972Z","updated_at":"2022-09-04T14:38:44.339000Z","structure_string":"Ba2 Ti2 Ge6 O18\n1.0\n6.867752 0.000000 0.000000\n-3.433877 5.947647 0.000000\n-0.000000 -0.000000 10.276863\nBa Ti Ge O\n2 2 6 18\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.666666 0.333333 -0.000000 Ti\n0.666666 0.333333 0.500000 Ti\n0.032434 0.444648 0.750000 Ge\n0.032434 0.587787 0.250000 Ge\n0.555352 0.587787 0.750000 Ge\n0.555352 0.967566 0.250000 Ge\n0.412213 0.444648 0.250000 Ge\n0.412213 0.967566 0.750000 Ge\n0.418825 0.109008 0.892919 O\n0.262022 0.873278 0.250000 O\n0.126722 0.737978 0.750000 O\n0.611255 0.737978 0.250000 O\n0.126722 0.388745 0.250000 O\n0.690183 0.581175 0.892919 O\n0.690183 0.581175 0.607081 O\n0.690184 0.109008 0.392919 O\n0.890992 0.309816 0.607081 O\n0.418825 0.109008 0.607081 O\n0.418825 0.309816 0.392919 O\n0.690184 0.109008 0.107081 O\n0.611255 0.873278 0.750000 O\n0.890992 0.581175 0.392919 O\n0.418825 0.309816 0.107081 O\n0.890992 0.581175 0.107081 O\n0.890992 0.309816 0.892919 O\n0.262022 0.388745 0.750000 O\n","nsites":28,"nelements":4,"elements":["Ba","Ti","Ge","O"],"chemical_system":"Ba-Ge-O-Ti","density":4.328448741275435,"density_atomic":0.06670181869189942,"volume":419.7786589498263,"volume_molar":9.028450615142457,"formula_full":"Ba2 Ti2 Ge6 O18","formula_reduced":"BaTi(GeO3)3","formula_anonymous":"ABC3D9","energy_above_hull":2.276923832380952,"spacegroup":188},{"id":"jvasp-21706","created_at":"2022-09-04T14:38:18.868338Z","updated_at":"2022-09-04T14:38:18.868367Z","structure_string":"K2 Ca2 P6 O18\n1.0\n3.411008 -5.908038 0.000000\n3.411008 5.908038 -0.000000\n0.000000 -0.000000 10.455975\nK Ca P O\n2 2 6 18\ndirect\n0.666667 0.333333 0.500000 K\n0.666667 0.333333 0.000000 K\n0.333333 0.666667 0.500000 Ca\n0.333333 0.666667 0.000000 Ca\n0.730072 0.964335 0.750000 P\n0.035666 0.765737 0.750000 P\n0.234263 0.269929 0.750000 P\n0.234263 0.964335 0.250000 P\n0.730071 0.765737 0.250000 P\n0.035666 0.269929 0.250000 P\n0.048562 0.660441 0.627000 O\n0.803388 0.030067 0.250000 O\n0.969933 0.773321 0.250000 O\n0.226679 0.196613 0.250000 O\n0.226679 0.030067 0.750000 O\n0.969933 0.196613 0.750000 O\n0.803388 0.773321 0.750000 O\n0.048562 0.660441 0.873000 O\n0.339560 0.951438 0.373000 O\n0.048562 0.388122 0.127000 O\n0.339560 0.951438 0.127000 O\n0.611879 0.660441 0.127000 O\n0.611879 0.951438 0.873000 O\n0.611879 0.660441 0.373000 O\n0.611879 0.951438 0.627000 O\n0.048562 0.388122 0.373000 O\n0.339560 0.388122 0.873000 O\n0.339560 0.388122 0.627000 O\n","nsites":28,"nelements":4,"elements":["K","Ca","P","O"],"chemical_system":"Ca-K-O-P","density":2.490991830626956,"density_atomic":0.06644120211728846,"volume":421.4252468004971,"volume_molar":9.063864843036905,"formula_full":"K2 Ca2 P6 O18","formula_reduced":"KCa(PO3)3","formula_anonymous":"ABC3D9","energy_above_hull":2.40151903,"spacegroup":188},{"id":"jvasp-51898","created_at":"2022-09-04T14:37:05.530728Z","updated_at":"2022-09-04T14:37:05.530738Z","structure_string":"Tb6 B2 W2 O18\n1.0\n4.261998 -7.381996 0.000000\n4.261998 7.381996 -0.000000\n0.000000 0.000000 5.386606\nTb B W O\n6 2 2 18\ndirect\n0.358166 0.083741 0.701768 Tb\n0.725575 0.641834 0.701768 Tb\n0.641834 0.916260 0.201768 Tb\n0.916260 0.274425 0.701768 Tb\n0.083741 0.725575 0.201768 Tb\n0.274425 0.358166 0.201768 Tb\n0.000000 0.000000 0.865564 B\n0.000000 0.000000 0.365563 B\n0.666667 0.333333 0.245059 W\n0.333333 0.666667 0.745060 W\n0.486110 0.618702 0.979841 O\n0.197235 0.465149 0.536454 O\n0.732087 0.197235 0.036454 O\n0.867409 0.486110 0.479841 O\n0.053341 0.872067 0.856133 O\n0.818727 0.946660 0.856133 O\n0.127933 0.181274 0.856133 O\n0.267913 0.802765 0.536454 O\n0.132592 0.513890 0.979841 O\n0.872067 0.818727 0.356133 O\n0.381298 0.867409 0.979841 O\n0.181274 0.053341 0.356133 O\n0.802765 0.534852 0.036454 O\n0.946660 0.127933 0.356133 O\n0.534852 0.732087 0.536454 O\n0.465149 0.267913 0.036454 O\n0.618702 0.132592 0.479841 O\n0.513890 0.381298 0.479841 O\n","nsites":28,"nelements":4,"elements":["Tb","B","W","O"],"chemical_system":"B-O-Tb-W","density":7.98967434271281,"density_atomic":0.08260869814899607,"volume":338.94735817647404,"volume_molar":7.289959647031655,"formula_full":"Tb6 B2 W2 O18","formula_reduced":"Tb3BWO9","formula_anonymous":"ABC3D9","energy_above_hull":3.150141377380953,"spacegroup":173},{"id":"jvasp-22868","created_at":"2022-09-04T14:37:35.752198Z","updated_at":"2022-09-04T14:37:35.752208Z","structure_string":"Rb2 Be6 Zn2 F18\n1.0\n3.366955 -5.831736 -0.000000\n3.366955 5.831736 -0.000000\n0.000000 0.000000 9.762434\nRb Be Zn F\n2 6 2 18\ndirect\n0.666666 0.333332 0.500000 Rb\n0.666666 0.333332 0.000000 Rb\n0.212377 0.277023 0.750000 Be\n0.212376 0.935353 0.250000 Be\n0.722975 0.787622 0.250000 Be\n0.064646 0.277023 0.250000 Be\n0.064645 0.787622 0.750000 Be\n0.722975 0.935353 0.750000 Be\n0.333332 0.666666 0.000000 Zn\n0.333332 0.666666 0.500000 Zn\n0.084757 0.414407 0.118679 F\n0.585591 0.915242 0.881321 F\n0.084757 0.670349 0.881321 F\n0.084757 0.670349 0.618679 F\n0.585591 0.915242 0.618679 F\n0.329650 0.414407 0.881321 F\n0.242115 0.187001 0.250000 F\n0.944887 0.757884 0.250000 F\n0.329650 0.414407 0.618679 F\n0.812997 0.757884 0.750000 F\n0.944887 0.187001 0.750000 F\n0.242115 0.055112 0.750000 F\n0.585591 0.670349 0.118679 F\n0.329649 0.915242 0.381321 F\n0.585591 0.670349 0.381321 F\n0.084757 0.414407 0.381321 F\n0.812998 0.055111 0.250000 F\n0.329649 0.915242 0.118679 F\n","nsites":28,"nelements":4,"elements":["Rb","Be","Zn","F"],"chemical_system":"Be-F-Rb-Zn","density":3.022424858633527,"density_atomic":0.07303562623740313,"volume":383.37454530732276,"volume_molar":8.245483841577483,"formula_full":"Rb2 Be6 Zn2 F18","formula_reduced":"RbBe3ZnF9","formula_anonymous":"ABC3D9","energy_above_hull":0.0,"spacegroup":188},{"id":"jvasp-35204","created_at":"2022-09-04T14:38:04.929752Z","updated_at":"2022-09-04T14:38:04.929771Z","structure_string":"Na2 Ca2 P6 O18\n1.0\n6.781225 0.009538 0.023793\n0.894433 6.898208 -0.014634\n1.193652 0.703371 7.512943\nNa Ca P O\n2 2 6 18\ndirect\n0.460263 0.374036 0.344763 Na\n0.539735 0.625965 0.655237 Na\n0.013890 0.723687 0.637746 Ca\n0.986108 0.276313 0.362254 Ca\n0.385431 0.883813 0.277669 P\n0.194054 0.661859 0.047843 P\n0.614567 0.116188 0.722331 P\n0.164903 0.199961 0.726902 P\n0.835095 0.800040 0.273098 P\n0.805944 0.338141 0.952157 P\n0.243517 0.651953 0.850992 O\n0.340910 0.729255 0.428422 O\n0.659089 0.270745 0.571578 O\n0.312941 0.828776 0.099947 O\n0.687058 0.171224 0.900053 O\n0.216894 0.481763 0.172318 O\n0.783104 0.518238 0.827682 O\n0.756482 0.348047 0.149008 O\n0.624084 0.863018 0.208415 O\n0.039034 0.244019 0.918478 O\n0.832558 0.619279 0.403452 O\n0.167440 0.380722 0.596548 O\n0.681078 0.906948 0.697244 O\n0.375915 0.136982 0.791585 O\n0.918410 0.962032 0.340297 O\n0.081589 0.037969 0.659703 O\n0.960964 0.755981 0.081522 O\n0.318920 0.093052 0.302756 O\n","nsites":28,"nelements":4,"elements":["Na","Ca","P","O"],"chemical_system":"Ca-Na-O-P","density":2.8362137751596026,"density_atomic":0.07971137626545452,"volume":351.26730100298994,"volume_molar":7.554932610804623,"formula_full":"Na2 Ca2 P6 O18","formula_reduced":"NaCa(PO3)3","formula_anonymous":"ABC3D9","energy_above_hull":2.421729101428572,"spacegroup":2}]}