{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=4381","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=density_atomic&page=4379","results":[{"id":"jvasp-54690","created_at":"2022-09-04T14:38:00.950242Z","updated_at":"2022-09-04T14:38:00.950263Z","structure_string":"Lu4 H12 O12\n1.0\n-4.068890 4.046182 4.068890\n4.046182 -4.068890 4.068890\n4.091599 4.091599 -4.091599\nLu H O\n4 12 12\ndirect\n0.500000 -0.000000 -0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n-0.000000 0.500000 -0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.644637 0.960807 0.686227 H\n0.355363 0.039193 0.313773 H\n0.282007 0.830685 0.454158 H\n0.830685 0.548679 0.376527 H\n0.169315 0.451321 0.623472 H\n0.717993 0.169315 0.545841 H\n0.960807 0.316171 0.274580 H\n0.683828 0.644637 0.958409 H\n0.316171 0.355363 0.041591 H\n0.548679 0.717993 0.172151 H\n0.451321 0.282007 0.827848 H\n0.039193 0.683828 0.725420 H\n0.839669 0.169089 0.669693 O\n0.160331 0.830911 0.330307 O\n0.830911 0.670580 0.500604 O\n0.169089 0.329420 0.499395 O\n0.164770 0.684533 0.847244 O\n0.315467 0.480237 0.162711 O\n0.684533 0.519763 0.837289 O\n0.670580 0.839669 0.169975 O\n0.329420 0.160331 0.830025 O\n0.480237 0.164770 0.317526 O\n0.835230 0.315467 0.152755 O\n0.519763 0.835230 0.682474 O\n","nsites":28,"nelements":3,"elements":["Lu","H","O"],"chemical_system":"H-Lu-O","density":5.5708133673927085,"density_atomic":0.10391547155877495,"volume":269.4497708569133,"volume_molar":5.795230170893134,"formula_full":"Lu4 H12 O12","formula_reduced":"Lu(HO)3","formula_anonymous":"AB3C3","energy_above_hull":2.3567980357142857,"spacegroup":148},{"id":"jvasp-111622","created_at":"2022-09-04T14:38:27.730551Z","updated_at":"2022-09-04T14:38:27.730575Z","structure_string":"V4 Cu4 O12\n1.0\n5.939450 0.000000 -2.099913\n-2.969725 5.143715 -2.099913\n0.000000 0.000000 6.299738\nV Cu O\n4 4 12\ndirect\n-0.000000 -0.000000 0.500000 V\n0.500000 -0.000000 0.000000 V\n-0.000001 0.500000 -0.000000 V\n0.499999 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.500000 Cu\n-0.000001 0.500000 0.500000 Cu\n0.499999 0.500000 0.000000 Cu\n0.184469 0.697676 0.882146 O\n0.815530 0.302323 0.117855 O\n0.486792 0.184469 0.302323 O\n0.513206 0.815530 0.697677 O\n0.882145 0.184469 0.697677 O\n0.697676 0.882145 0.184470 O\n0.302323 0.486792 0.184470 O\n0.697676 0.513207 0.815531 O\n0.815530 0.697676 0.513208 O\n0.302323 0.117854 0.815531 O\n0.117854 0.815530 0.302323 O\n0.184469 0.302323 0.486793 O\n","nsites":20,"nelements":3,"elements":["V","Cu","O"],"chemical_system":"Cu-O-V","density":5.607620547972374,"density_atomic":0.10391646858839922,"volume":192.46227543795413,"volume_molar":5.795174568386252,"formula_full":"V4 Cu4 O12","formula_reduced":"VCuO3","formula_anonymous":"ABC3","energy_above_hull":2.01529103,"spacegroup":204},{"id":"jvasp-11606","created_at":"2022-09-04T14:37:14.769852Z","updated_at":"2022-09-04T14:37:14.769878Z","structure_string":"Al4 Ni2 O8\n1.0\n5.754153 0.001938 0.006516\n-2.875470 -4.983650 0.059828\n-2.872240 1.599837 -4.722386\nAl Ni O\n4 2 8\ndirect\n0.499997 -0.000003 -0.000003 Al\n0.499999 0.499999 -0.000003 Al\n-0.000005 0.499996 0.499997 Al\n0.000001 0.500000 0.000002 Al\n0.749982 0.875003 0.624960 Ni\n0.250025 0.125005 0.375049 Ni\n0.028497 0.735775 0.764227 O\n0.971503 0.264224 0.235776 O\n0.028502 0.292729 0.764274 O\n0.971494 0.707265 0.235727 O\n0.471481 0.735722 0.207242 O\n0.471501 0.735770 0.764221 O\n0.528496 0.264229 0.235778 O\n0.528518 0.264280 0.792753 O\n","nsites":14,"nelements":3,"elements":["Al","Ni","O"],"chemical_system":"Al-Ni-O","density":4.354769218438912,"density_atomic":0.10391791429239647,"volume":134.72171853457186,"volume_molar":5.795093946030662,"formula_full":"Al4 Ni2 O8","formula_reduced":"Al2NiO4","formula_anonymous":"AB2C4","energy_above_hull":1.9302174285714284,"spacegroup":227},{"id":"jvasp-52317","created_at":"2022-09-04T14:36:49.657699Z","updated_at":"2022-09-04T14:36:49.657716Z","structure_string":"Na4 Be4 O8\n1.0\n3.847529 6.974143 -0.311279\n-3.847529 6.974143 0.311279\n-4.185805 0.000000 3.207559\nNa Be O\n4 4 8\ndirect\n0.181517 0.181515 0.750000 Na\n0.440115 0.440113 0.750000 Na\n0.559886 0.559885 0.250000 Na\n0.818484 0.818483 0.250000 Na\n0.735582 0.735581 0.750000 Be\n0.895184 0.895183 0.750000 Be\n0.104816 0.104816 0.250000 Be\n0.264418 0.264418 0.250000 Be\n0.076198 0.840628 0.654902 O\n0.464922 0.903452 0.695474 O\n0.159371 0.923802 0.154901 O\n0.096547 0.535078 0.195474 O\n0.903454 0.464921 0.804527 O\n0.840630 0.076197 0.845099 O\n0.535079 0.096546 0.304526 O\n0.923802 0.159370 0.345099 O\n","nsites":16,"nelements":3,"elements":["Na","Be","O"],"chemical_system":"Be-Na-O","density":2.7610492310309547,"density_atomic":0.10392019960865843,"volume":153.96429241141402,"volume_molar":5.794966505720845,"formula_full":"Na4 Be4 O8","formula_reduced":"NaBeO2","formula_anonymous":"ABC2","energy_above_hull":0.9681955249999998,"spacegroup":15},{"id":"jvasp-113170","created_at":"2022-09-04T14:38:47.048901Z","updated_at":"2022-09-04T14:38:47.048926Z","structure_string":"V2 Co1 P2 H8 O14\n1.0\n5.775752 -0.000031 -2.463517\n1.050763 5.679295 2.463476\n-0.024348 0.029176 7.945761\nV Co P H O\n2 1 2 8 14\ndirect\n0.277333 0.722663 0.554652 V\n0.722664 0.277338 0.445344 V\n0.000000 -0.000000 0.000000 Co\n0.250002 0.249998 0.500004 P\n0.749995 0.750003 0.499993 P\n0.708438 0.123195 0.122197 H\n0.413758 0.754606 0.122196 H\n0.245370 0.291585 0.122180 H\n0.876827 0.586226 0.122215 H\n0.291560 0.876801 0.877804 H\n0.586243 0.245396 0.877805 H\n0.123175 0.413772 0.877786 H\n0.754626 0.708416 0.877822 H\n0.343043 0.378088 0.638939 O\n0.982970 0.343034 0.361087 O\n0.704092 0.017038 0.361075 O\n0.378090 0.295910 0.361071 O\n0.621907 0.704091 0.638927 O\n0.295905 0.982963 0.638922 O\n0.846741 0.153254 0.693516 O\n0.262144 0.799994 -0.000002 O\n0.737857 0.200004 0.000005 O\n0.199978 0.262160 -0.000011 O\n0.153256 0.846747 0.306481 O\n0.017026 0.656966 0.638910 O\n0.800022 0.737838 0.000014 O\n0.656956 0.621913 0.361058 O\n","nsites":27,"nelements":5,"elements":["V","Co","P","H","O"],"chemical_system":"Co-H-O-P-V","density":2.9069398173001644,"density_atomic":0.10392314041775198,"volume":259.8073912264867,"volume_molar":5.794802520201081,"formula_full":"V2 Co1 P2 H8 O14","formula_reduced":"V2CoP2(H4O7)2","formula_anonymous":"AB2C2D8E14","energy_above_hull":3.368735159259259,"spacegroup":87},{"id":"jvasp-45310","created_at":"2022-09-04T14:38:28.994369Z","updated_at":"2022-09-04T14:38:28.994395Z","structure_string":"Ca4 Al8 O16\n1.0\n2.892917 -0.000000 0.000000\n0.000000 8.966482 0.000000\n0.000000 0.000000 10.386326\nCa Al O\n4 8 16\ndirect\n0.250000 0.742198 0.155427 Ca\n0.750001 0.257802 0.844574 Ca\n0.250000 0.242198 0.344573 Ca\n0.750001 0.757802 0.655427 Ca\n0.750001 0.438004 0.611246 Al\n0.250000 0.561996 0.388754 Al\n0.250000 0.061996 0.111246 Al\n0.750001 0.938004 0.888755 Al\n0.250000 0.581713 0.896891 Al\n0.750001 0.918287 0.396891 Al\n0.250000 0.081713 0.603110 Al\n0.750001 0.418287 0.103110 Al\n0.250000 0.385571 0.980355 O\n0.250000 0.796434 0.845973 O\n0.750001 0.203566 0.154028 O\n0.750001 0.114429 0.480355 O\n0.250000 0.885571 0.519645 O\n0.750001 0.614429 0.019645 O\n0.750001 0.526035 0.784321 O\n0.750001 0.922407 0.071833 O\n0.750001 0.026035 0.715679 O\n0.250000 0.973965 0.284321 O\n0.750001 0.422407 0.428167 O\n0.250000 0.577592 0.571834 O\n0.750001 0.703566 0.345973 O\n0.250000 0.077593 0.928167 O\n0.250000 0.473965 0.215679 O\n0.250000 0.296434 0.654028 O\n","nsites":28,"nelements":3,"elements":["Ca","Al","O"],"chemical_system":"Al-Ca-O","density":3.8963007339989515,"density_atomic":0.10392930592106461,"volume":269.4139035361815,"volume_molar":5.794458749271239,"formula_full":"Ca4 Al8 O16","formula_reduced":"CaAl2O4","formula_anonymous":"AB2C4","energy_above_hull":1.5770342885714286,"spacegroup":62},{"id":"jvasp-109781","created_at":"2022-09-04T14:38:18.796419Z","updated_at":"2022-09-04T14:38:18.796454Z","structure_string":"Be1 Co2 Si1\n1.0\n2.708146 -0.000000 0.000000\n0.000000 2.708146 0.000000\n0.000000 -0.000000 5.247785\nBe Co Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.244452 Co\n0.500001 0.500001 0.755549 Co\n0.000000 0.000000 0.500000 Si\n","nsites":4,"nelements":3,"elements":["Be","Co","Si"],"chemical_system":"Be-Co-Si","density":6.685900903573667,"density_atomic":0.1039297324676548,"volume":38.487542544621554,"volume_molar":5.79443496775499,"formula_full":"Be1 Co2 Si1","formula_reduced":"BeCo2Si","formula_anonymous":"ABC2","energy_above_hull":2.761406625,"spacegroup":123},{"id":"jvasp-112830","created_at":"2022-09-04T14:38:44.059571Z","updated_at":"2022-09-04T14:38:44.059595Z","structure_string":"V4 Ge4 O16\n1.0\n4.334064 -0.000482 0.000515\n0.000518 4.729152 -0.000021\n-0.001337 0.000049 11.266527\nV Ge O\n4 4 16\ndirect\n0.500004 0.749997 0.056963 V\n-0.000003 0.249999 0.443037 V\n-0.000002 0.750002 0.556963 V\n0.500001 0.250002 0.943038 V\n0.000001 0.750002 0.815951 Ge\n0.499997 0.250003 0.684050 Ge\n0.499999 0.749998 0.315951 Ge\n0.000002 0.249997 0.184050 Ge\n0.744444 0.911669 0.439586 O\n0.755557 0.411669 0.060415 O\n0.244448 0.588331 0.939586 O\n0.255550 0.088333 0.560415 O\n0.244451 0.088329 0.060415 O\n0.255548 0.588330 0.439586 O\n0.772808 0.919203 0.687917 O\n0.227190 0.580802 0.687917 O\n0.727192 0.919197 0.187918 O\n0.772808 0.419198 0.312084 O\n0.755554 0.911671 0.939586 O\n0.272808 0.080802 0.812083 O\n0.272812 0.580797 0.187917 O\n0.227189 0.080798 0.312084 O\n0.727190 0.419203 0.812084 O\n0.744444 0.411671 0.560415 O\n","nsites":24,"nelements":3,"elements":["V","Ge","O"],"chemical_system":"Ge-O-V","density":5.395415189747034,"density_atomic":0.1039303944070334,"volume":230.92378448989913,"volume_molar":5.794398062625323,"formula_full":"V4 Ge4 O16","formula_reduced":"VGeO4","formula_anonymous":"ABC4","energy_above_hull":2.388657358333333,"spacegroup":60},{"id":"jvasp-117092","created_at":"2022-09-04T14:38:46.551828Z","updated_at":"2022-09-04T14:38:46.551857Z","structure_string":"Li4 Nb2 Fe3 Co3 O16\n1.0\n5.764494 0.026191 0.064086\n2.892945 4.986076 0.064086\n-0.076987 -0.044572 9.396277\nLi Nb Fe Co O\n4 2 3 3 16\ndirect\n0.668388 0.668389 0.101192 Li\n0.000298 0.000298 0.004780 Li\n-0.000023 -0.000023 0.503669 Li\n0.334450 0.334451 0.604737 Li\n0.667179 0.667181 0.505935 Nb\n0.331443 0.331444 0.004260 Nb\n0.830514 0.830517 0.783154 Fe\n0.175512 0.655757 0.283302 Fe\n0.655755 0.175513 0.283302 Fe\n0.167848 0.167849 0.285561 Co\n0.337484 0.831134 0.784729 Co\n0.831131 0.337487 0.784729 Co\n0.163103 0.163104 0.901478 O\n0.161862 0.673866 0.900057 O\n0.331703 0.331704 0.390971 O\n0.482901 0.036223 0.166482 O\n0.036222 0.482902 0.166482 O\n0.837267 0.837269 0.399887 O\n0.966297 0.516543 0.666371 O\n0.518159 0.518161 0.666112 O\n0.833338 0.327887 0.401179 O\n-0.001572 -0.001572 0.194073 O\n-0.001431 -0.001431 0.692157 O\n0.668279 0.668282 0.887799 O\n0.485420 0.485422 0.162088 O\n0.327886 0.833340 0.401179 O\n0.516541 0.966300 0.666371 O\n0.673864 0.161864 0.900057 O\n","nsites":28,"nelements":5,"elements":["Li","Nb","Fe","Co","O"],"chemical_system":"Co-Fe-Li-Nb-O","density":5.016939752521974,"density_atomic":0.10393835520869874,"volume":269.3904472875153,"volume_molar":5.793954260588491,"formula_full":"Li4 Nb2 Fe3 Co3 O16","formula_reduced":"Li4Nb2Fe3Co3O16","formula_anonymous":"A2B3C3D4E16","energy_above_hull":3.2549801428571423,"spacegroup":8},{"id":"jvasp-101904","created_at":"2022-09-04T14:36:42.342338Z","updated_at":"2022-09-04T14:36:42.342355Z","structure_string":"Zn1 H4 C4 O4\n1.0\n5.061003 0.003169 0.001490\n2.527215 3.736602 1.776484\n-0.001419 -0.126348 6.556576\nZn H C O\n1 4 4 4\ndirect\n0.811078 0.859996 0.285677 Zn\n0.050839 0.244188 0.769207 H\n0.935563 0.101611 0.595739 H\n0.435195 0.475709 0.802167 H\n0.177263 0.618130 0.975625 H\n0.337105 0.120829 0.533854 C\n0.144141 0.049470 0.695781 C\n0.333673 0.670415 0.875598 C\n0.597865 0.599190 0.037534 C\n0.247542 0.436408 0.403511 O\n0.594084 0.850198 0.533845 O\n0.823928 0.283649 0.167815 O\n0.584061 0.869892 0.037607 O\n","nsites":13,"nelements":4,"elements":["Zn","H","C","O"],"chemical_system":"C-H-O-Zn","density":2.4094243471646397,"density_atomic":0.10393839419184965,"volume":125.07408933030636,"volume_molar":5.793952087507069,"formula_full":"Zn1 H4 C4 O4","formula_reduced":"ZnH4(CO)4","formula_anonymous":"AB4C4D4","energy_above_hull":3.955601876923077,"spacegroup":5},{"id":"jvasp-62640","created_at":"2022-09-04T14:36:21.336075Z","updated_at":"2022-09-04T14:36:21.336101Z","structure_string":"Y4 Mn4 B16\n1.0\n3.427092 0.000000 0.000000\n0.000000 5.903585 -0.000000\n0.000000 0.000000 11.412728\nY Mn B\n4 4 16\ndirect\n0.000000 0.125693 0.849521 Y\n0.000000 0.874306 0.150479 Y\n0.000000 0.374306 0.349521 Y\n0.000000 0.625693 0.650479 Y\n0.000000 0.127041 0.583473 Mn\n0.000000 0.872958 0.416527 Mn\n0.000000 0.372958 0.083473 Mn\n0.000000 0.627041 0.916527 Mn\n0.500000 0.525042 0.190764 B\n0.500000 0.474957 0.809236 B\n0.500000 0.887933 0.546279 B\n0.500000 0.112066 0.453721 B\n0.500000 0.612065 0.046279 B\n0.500000 0.387934 0.953722 B\n0.500000 0.861471 0.967898 B\n0.500000 0.780722 0.816494 B\n0.500000 0.638528 0.467898 B\n0.500000 0.361471 0.532102 B\n0.500000 0.025042 0.309236 B\n0.500000 0.219277 0.183506 B\n0.500000 0.719277 0.316494 B\n0.500000 0.280722 0.683506 B\n0.500000 0.138528 0.032102 B\n0.500000 0.974957 0.690764 B\n","nsites":24,"nelements":3,"elements":["Y","Mn","B"],"chemical_system":"B-Mn-Y","density":5.381752568574043,"density_atomic":0.10393939655361836,"volume":230.9037842799031,"volume_molar":5.793896212292716,"formula_full":"Y4 Mn4 B16","formula_reduced":"YMnB4","formula_anonymous":"ABC4","energy_above_hull":4.520932170785441,"spacegroup":55},{"id":"jvasp-54706","created_at":"2022-09-04T14:38:15.445863Z","updated_at":"2022-09-04T14:38:15.445889Z","structure_string":"Lu4 H12 O12\n1.0\n-4.068562 4.103908 4.068562\n4.103908 -4.068562 4.068562\n4.033216 4.033216 -4.033216\nLu H O\n4 12 12\ndirect\n0.500000 -0.000000 0.000000 Lu\n-0.000000 -0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.500000 0.500000 0.500001 Lu\n0.376259 0.827737 0.545175 H\n0.623741 0.172263 0.454827 H\n0.274419 0.960147 0.315126 H\n0.960147 0.685728 0.645024 H\n0.039853 0.314272 0.354978 H\n0.725581 0.039853 0.684876 H\n0.827737 0.451479 0.282564 H\n0.548521 0.376259 0.831085 H\n0.451479 0.623741 0.168917 H\n0.685728 0.725581 0.040705 H\n0.314272 0.274419 0.959297 H\n0.172263 0.548521 0.717439 H\n0.847886 0.164526 0.685055 O\n0.152114 0.835474 0.314947 O\n0.835474 0.683358 0.520529 O\n0.164526 0.316642 0.479473 O\n0.168528 0.668932 0.838974 O\n0.331068 0.499594 0.170041 O\n0.668932 0.500406 0.829961 O\n0.683358 0.847886 0.162832 O\n0.316642 0.152114 0.837170 O\n0.499594 0.168528 0.329555 O\n0.831472 0.331068 0.161028 O\n0.500406 0.831472 0.670447 O\n","nsites":28,"nelements":3,"elements":["Lu","H","O"],"chemical_system":"H-Lu-O","density":5.572348582211405,"density_atomic":0.10394410877228538,"volume":269.3755358597643,"volume_molar":5.793633550885457,"formula_full":"Lu4 H12 O12","formula_reduced":"Lu(HO)3","formula_anonymous":"AB3C3","energy_above_hull":2.3567751785714286,"spacegroup":148}]}