HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4164",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4162",
"results": [
{
"id": "jvasp-58319",
"created_at": "2022-09-04T14:37:36.607885Z",
"updated_at": "2022-09-04T14:37:36.607906Z",
"structure_string": "K4 Hg2 C8 N8\n1.0\n7.838969 -0.000000 4.525831\n2.612990 7.390651 4.525831\n-0.000000 -0.000000 9.051662\nK Hg C N\n4 2 8 8\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.500000 0.500000 0.500000 K\n0.125000 0.125000 0.125000 Hg\n0.875000 0.875000 0.875000 Hg\n0.775932 0.775932 0.172206 C\n0.224068 0.827794 0.224068 C\n0.172206 0.775932 0.775931 C\n0.775932 0.172206 0.775931 C\n0.827794 0.224068 0.224068 C\n0.224068 0.224068 0.827794 C\n0.775932 0.775932 0.775931 C\n0.224068 0.224068 0.224068 C\n0.330430 0.723190 0.723190 N\n0.723190 0.330430 0.723189 N\n0.723190 0.723190 0.723189 N\n0.276810 0.669570 0.276810 N\n0.276810 0.276810 0.669570 N\n0.276810 0.276810 0.276810 N\n0.723190 0.723190 0.330429 N\n0.669570 0.276810 0.276810 N\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Hg",
"C",
"N"
],
"chemical_system": "C-Hg-K-N",
"density": 2.4246262769594673,
"density_atomic": 0.04195200393468792,
"volume": 524.408799023051,
"volume_molar": 14.354834561360743,
"formula_full": "K4 Hg2 C8 N8",
"formula_reduced": "K2Hg(CN)4",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 4.535169418181819,
"spacegroup": 227
},
{
"id": "jvasp-22143",
"created_at": "2022-09-04T14:37:44.729725Z",
"updated_at": "2022-09-04T14:37:44.729750Z",
"structure_string": "Sr6 Cd2 Ir2 O12\n1.0\n6.827001 0.049024 -0.037624\n-0.038100 6.827070 -0.037624\n0.048402 0.049024 6.826933\nSr Cd Ir O\n6 2 2 12\ndirect\n0.750000 0.387477 0.112523 Sr\n0.387477 0.112522 0.750000 Sr\n0.612523 0.887477 0.250001 Sr\n0.112523 0.750000 0.387478 Sr\n0.250000 0.612522 0.887477 Sr\n0.887477 0.249999 0.612523 Sr\n0.250000 0.250000 0.250000 Cd\n0.750000 0.749999 0.750001 Cd\n0.500000 0.499999 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.084105 0.283928 0.947885 O\n0.783928 0.584104 0.447886 O\n0.552115 0.216071 0.415895 O\n0.415895 0.552115 0.216072 O\n0.216072 0.415894 0.552115 O\n0.716071 0.052114 0.915895 O\n0.915895 0.716071 0.052116 O\n0.052115 0.915894 0.716072 O\n0.447885 0.783928 0.584106 O\n0.584105 0.447884 0.783929 O\n0.947885 0.084104 0.283929 O\n0.283928 0.947885 0.084106 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"Ir",
"O"
],
"chemical_system": "Cd-Ir-O-Sr",
"density": 6.9241794563212355,
"density_atomic": 0.06913232878220572,
"volume": 318.23027500359103,
"volume_molar": 8.711034137114249,
"formula_full": "Sr6 Cd2 Ir2 O12",
"formula_reduced": "Sr3CdIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.5032255254545452,
"spacegroup": 167
},
{
"id": "jvasp-51985",
"created_at": "2022-09-04T14:37:36.782249Z",
"updated_at": "2022-09-04T14:37:36.782275Z",
"structure_string": "Rb6 Ni2 F14\n1.0\n7.932570 -0.000000 0.000000\n0.000000 7.932570 -0.000000\n-0.000000 -0.000000 5.883701\nRb Ni F\n6 2 14\ndirect\n0.187823 0.687823 0.500000 Rb\n0.687823 0.812177 0.500000 Rb\n0.312177 0.187823 0.500000 Rb\n0.812177 0.312177 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.338863 0.161137 0.000000 F\n0.838863 0.338863 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.612899 0.112899 0.219516 F\n0.112899 0.387101 0.219516 F\n0.112899 0.387101 0.780484 F\n0.387101 0.887101 0.219516 F\n0.887101 0.612899 0.780484 F\n0.661137 0.838863 0.000000 F\n0.612899 0.112899 0.780484 F\n0.387101 0.887101 0.780484 F\n0.887101 0.612899 0.219516 F\n0.161137 0.661137 0.000000 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"F"
],
"chemical_system": "F-Ni-Rb",
"density": 4.019404194198394,
"density_atomic": 0.059421588843369635,
"volume": 370.23580870565695,
"volume_molar": 10.134600701899545,
"formula_full": "Rb6 Ni2 F14",
"formula_reduced": "Rb3NiF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-25917",
"created_at": "2022-09-04T14:37:53.991110Z",
"updated_at": "2022-09-04T14:37:53.991126Z",
"structure_string": "Rb2 Al2 As4 O14\n1.0\n6.311594 -0.010199 -0.021061\n-1.402544 6.247458 0.037355\n-2.045475 -1.427185 7.904894\nRb Al As O\n2 2 4 14\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 -0.000000 0.500000 Rb\n0.620089 0.309935 0.773182 Al\n0.379912 0.690065 0.226818 Al\n0.171993 0.469500 0.812485 As\n0.828008 0.530499 0.187516 As\n0.506707 0.754631 0.662565 As\n0.493294 0.245369 0.337436 As\n0.216301 0.631538 0.651287 O\n0.672533 0.616924 0.780079 O\n0.783700 0.368461 0.348713 O\n0.538738 0.748903 0.465599 O\n0.666630 0.711783 0.182033 O\n0.427395 0.992920 0.224544 O\n0.572606 0.007080 0.775457 O\n0.097715 0.685137 0.273125 O\n0.327467 0.383075 0.219920 O\n0.222356 0.650741 0.989796 O\n0.461263 0.251097 0.534401 O\n0.333371 0.288216 0.817967 O\n0.902286 0.314862 0.726876 O\n0.777644 0.349258 0.010204 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"Al",
"As",
"O"
],
"chemical_system": "Al-As-O-Rb",
"density": 3.9890393600742056,
"density_atomic": 0.07060014822763105,
"volume": 311.614076631496,
"volume_molar": 8.529926510328616,
"formula_full": "Rb2 Al2 As4 O14",
"formula_reduced": "RbAlAs2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.276290072727273,
"spacegroup": 2
},
{
"id": "jvasp-51964",
"created_at": "2022-09-04T14:37:36.654923Z",
"updated_at": "2022-09-04T14:37:36.654947Z",
"structure_string": "Nb4 Cd4 O14\n1.0\n6.272453 0.000008 3.621413\n2.090826 5.913724 3.621413\n0.000007 0.000004 7.242815\nNb Cd O\n4 4 14\ndirect\n-0.000003 0.500001 0.500000 Nb\n0.500003 0.500001 0.999993 Nb\n0.500003 0.999993 0.500001 Nb\n0.500002 0.500001 0.500002 Nb\n0.499991 0.000003 0.000003 Cd\n0.000002 0.000002 0.000002 Cd\n0.000004 0.000003 0.499991 Cd\n0.000003 0.499991 0.000003 Cd\n0.608591 0.141409 0.141409 O\n0.391427 0.858573 0.858574 O\n0.375000 0.375001 0.374999 O\n0.141410 0.608589 0.141410 O\n0.608591 0.141409 0.608590 O\n0.141411 0.141409 0.608590 O\n0.608591 0.608590 0.141409 O\n0.625000 0.624999 0.624999 O\n0.391427 0.858573 0.391424 O\n0.141410 0.608589 0.608591 O\n0.858573 0.391427 0.858573 O\n0.391426 0.391425 0.858574 O\n0.858574 0.858573 0.391425 O\n0.858575 0.391425 0.391425 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Cd",
"O"
],
"chemical_system": "Cd-Nb-O",
"density": 6.460536288419822,
"density_atomic": 0.0818874518553546,
"volume": 268.66143104392404,
"volume_molar": 7.354167975134292,
"formula_full": "Nb4 Cd4 O14",
"formula_reduced": "Nb2Cd2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.469442072727272,
"spacegroup": 227
},
{
"id": "jvasp-45940",
"created_at": "2022-09-04T14:38:00.759059Z",
"updated_at": "2022-09-04T14:38:00.759084Z",
"structure_string": "Na2 V2 P2 C2 O14\n1.0\n0.000000 5.171873 -0.271637\n6.234166 0.000000 0.000000\n0.000000 0.062932 -8.865331\nNa V P C O\n2 2 2 2 14\ndirect\n0.820169 0.547414 0.214213 Na\n0.179830 0.047413 0.785787 Na\n0.233571 0.226668 0.329972 V\n0.766428 0.726669 0.670028 V\n0.297277 0.734860 0.439547 P\n0.702722 0.234859 0.560454 P\n0.365686 0.258866 0.067465 C\n0.634313 0.758867 0.932535 C\n0.476243 0.764049 0.819299 O\n0.759010 0.436546 0.660130 O\n0.774040 0.043424 0.658336 O\n0.125703 0.749215 0.585950 O\n0.414273 0.233244 0.527639 O\n0.585726 0.733244 0.472361 O\n0.523756 0.264048 0.180701 O\n0.225959 0.543424 0.341665 O\n0.240989 0.936546 0.339870 O\n0.880104 0.752932 0.874010 O\n0.119895 0.252931 0.125991 O\n0.569228 0.754938 0.067862 O\n0.874296 0.249215 0.414050 O\n0.430771 0.254938 0.932139 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Na",
"V",
"P",
"C",
"O"
],
"chemical_system": "C-Na-O-P-V",
"density": 2.660648755140036,
"density_atomic": 0.07699516645380995,
"volume": 285.73222207653754,
"volume_molar": 7.821453004602221,
"formula_full": "Na2 V2 P2 C2 O14",
"formula_reduced": "NaVPCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 3.06124029090909,
"spacegroup": 4
},
{
"id": "jvasp-55392",
"created_at": "2022-09-04T14:37:53.975608Z",
"updated_at": "2022-09-04T14:37:53.975626Z",
"structure_string": "Lu4 Mn4 O14\n1.0\n6.008631 -0.000000 3.469085\n2.002877 5.664992 3.469085\n-0.000000 -0.000000 6.938170\nLu Mn O\n4 4 14\ndirect\n0.499999 0.500001 0.500000 Lu\n0.000000 0.500001 0.500000 Lu\n0.499999 0.000000 0.500000 Lu\n0.499999 0.500001 0.000001 Lu\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.499999 0.000000 0.000000 Mn\n0.000000 0.500001 0.999999 Mn\n0.668430 0.081570 0.081569 O\n0.668430 0.081570 0.668432 O\n0.081570 0.668430 0.081569 O\n0.625000 0.624999 0.625002 O\n0.918431 0.331569 0.331570 O\n0.331569 0.918431 0.331570 O\n0.331569 0.331569 0.918432 O\n0.918431 0.918431 0.331570 O\n0.918431 0.331569 0.918432 O\n0.081570 0.668430 0.668432 O\n0.331569 0.918431 0.918432 O\n0.374999 0.375000 0.375001 O\n0.668431 0.668430 0.081571 O\n0.081570 0.081570 0.668430 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Lu",
"Mn",
"O"
],
"chemical_system": "Lu-Mn-O",
"density": 8.040960819024344,
"density_atomic": 0.09315430050221776,
"volume": 236.1673039397278,
"volume_molar": 6.464694305612469,
"formula_full": "Lu4 Mn4 O14",
"formula_reduced": "Lu2Mn2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.820729134796238,
"spacegroup": 227
},
{
"id": "jvasp-30085",
"created_at": "2022-09-04T14:37:51.674576Z",
"updated_at": "2022-09-04T14:37:51.674605Z",
"structure_string": "Mg5 H8 O9\n1.0\n3.129561 -0.000007 -0.000006\n-1.564787 2.710290 -0.000000\n-0.000006 -0.000004 21.503773\nMg H O\n5 8 9\ndirect\n-0.000000 0.000001 0.500000 Mg\n0.000015 0.000008 0.281109 Mg\n-0.000016 -0.000007 0.718891 Mg\n0.333369 0.666684 0.056540 Mg\n0.666629 0.333316 0.943460 Mg\n0.666681 0.333342 0.812955 H\n0.333316 0.666659 0.187045 H\n0.666652 0.333326 0.375456 H\n0.333345 0.666674 0.624544 H\n0.666673 0.333337 0.150591 H\n0.333348 0.666675 0.405674 H\n0.666650 0.333326 0.594326 H\n0.333325 0.666664 0.849409 H\n0.333328 0.666664 0.232228 O\n0.666672 0.333336 0.549060 O\n0.333326 0.666664 0.450940 O\n0.666711 0.333355 0.105326 O\n0.333287 0.666646 0.894674 O\n0.000000 0.000000 0.000000 O\n0.666675 0.333338 0.330190 O\n0.333323 0.666663 0.669810 O\n0.666669 0.333336 0.767772 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.4907211335584476,
"density_atomic": 0.12061724123854682,
"volume": 182.3951515894002,
"volume_molar": 4.992769440058662,
"formula_full": "Mg5 H8 O9",
"formula_reduced": "Mg5H8O9",
"formula_anonymous": "A5B8C9",
"energy_above_hull": 2.106671670454545,
"spacegroup": 164
},
{
"id": "jvasp-39413",
"created_at": "2022-09-04T14:37:59.668903Z",
"updated_at": "2022-09-04T14:37:59.668932Z",
"structure_string": "Lu2 Fe17 C3\n1.0\n4.245148 2.450936 4.147516\n-4.245148 2.450936 4.147516\n-0.000000 -4.901875 4.147516\nLu Fe C\n2 17 3\ndirect\n0.342355 0.342355 0.342355 Lu\n0.657645 0.657645 0.657645 Lu\n0.000000 0.499999 0.000001 Fe\n0.499999 0.000000 0.000001 Fe\n-0.000000 -0.000000 0.500000 Fe\n0.345726 0.851240 0.345724 Fe\n0.345726 0.345726 0.851238 Fe\n0.851240 0.345726 0.345724 Fe\n0.148762 0.654274 0.654276 Fe\n0.654275 0.654275 0.148761 Fe\n0.654274 0.148762 0.654276 Fe\n0.282282 0.999999 0.717719 Fe\n0.999999 0.717719 0.282282 Fe\n0.717719 0.282281 1.000000 Fe\n0.717719 0.999999 0.282282 Fe\n0.999999 0.282282 0.717719 Fe\n0.282281 0.717719 1.000000 Fe\n0.903390 0.903390 0.903388 Fe\n0.096612 0.096612 0.096612 Fe\n0.500001 0.500001 1.000000 C\n1.000000 0.500000 0.500000 C\n0.500000 1.000000 0.500000 C\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Lu",
"Fe",
"C"
],
"chemical_system": "C-Fe-Lu",
"density": 8.563942781823595,
"density_atomic": 0.08496858315005966,
"volume": 258.91922854764647,
"volume_molar": 7.087491089929716,
"formula_full": "Lu2 Fe17 C3",
"formula_reduced": "Lu2Fe17C3",
"formula_anonymous": "A2B3C17",
"energy_above_hull": 4.565470227272726,
"spacegroup": 166
},
{
"id": "jvasp-57356",
"created_at": "2022-09-04T14:37:43.317559Z",
"updated_at": "2022-09-04T14:37:43.317592Z",
"structure_string": "Ni4 P4 O14\n1.0\n0.000000 4.477799 -0.006494\n9.917004 0.000000 0.000000\n0.000000 -0.671980 -5.190748\nNi P O\n4 4 14\ndirect\n0.098351 0.343122 0.420123 Ni\n0.901650 0.656877 0.579877 Ni\n0.901650 0.843122 0.079877 Ni\n0.098351 0.156878 0.920123 Ni\n0.643742 0.387940 0.842726 P\n0.356259 0.887940 0.657274 P\n0.643742 0.112060 0.342725 P\n0.356259 0.612060 0.157274 P\n0.500000 0.500000 -0.000000 O\n0.785527 0.457648 0.624782 O\n0.114830 0.821857 0.462326 O\n0.500000 0.000000 0.500000 O\n0.885171 0.178143 0.537673 O\n0.384227 0.206424 0.239745 O\n0.214474 0.542351 0.375218 O\n0.114830 0.678143 0.962326 O\n0.214474 0.957648 0.875218 O\n0.785527 0.042352 0.124781 O\n0.615773 0.706424 0.260254 O\n0.885171 0.321857 0.037673 O\n0.615773 0.793576 0.760255 O\n0.384227 0.293576 0.739745 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 4.1967000306485,
"density_atomic": 0.09542586867149712,
"volume": 230.54545173421312,
"volume_molar": 6.3108052814600795,
"formula_full": "Ni4 P4 O14",
"formula_reduced": "Ni2P2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.5822591181818177,
"spacegroup": 14
},
{
"id": "jvasp-40905",
"created_at": "2022-09-04T14:37:38.067581Z",
"updated_at": "2022-09-04T14:37:38.067611Z",
"structure_string": "Li2 Nb2 P4 O14\n1.0\n0.000000 4.955068 0.001654\n8.594915 0.000000 0.000000\n0.000000 -2.267932 -6.788817\nLi Nb P O\n2 2 4 14\ndirect\n0.179179 0.206238 0.659678 Li\n0.820822 0.706238 0.340323 Li\n0.205762 0.554703 0.723058 Nb\n0.794239 0.054703 0.276943 Nb\n0.405780 0.879524 0.539686 P\n0.215997 0.264813 0.077875 P\n0.784004 0.764813 0.922126 P\n0.594221 0.379525 0.460315 P\n0.787199 0.523735 0.497512 O\n0.765880 0.228311 0.492534 O\n0.615385 0.879347 0.421097 O\n0.389896 0.116650 0.081954 O\n0.411811 0.391812 0.230839 O\n0.588190 0.891812 0.769162 O\n0.212802 0.023735 0.502489 O\n0.384617 0.379347 0.578904 O\n0.234121 0.728311 0.507467 O\n0.856526 0.843624 0.122400 O\n0.143475 0.343625 0.877601 O\n0.042159 0.734587 0.855722 O\n0.610105 0.616649 0.918047 O\n0.957842 0.234587 0.144279 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Nb",
"P",
"O"
],
"chemical_system": "Li-Nb-O-P",
"density": 3.1452916104749806,
"density_atomic": 0.07610020133364528,
"volume": 289.09253345527486,
"volume_molar": 7.913436041512156,
"formula_full": "Li2 Nb2 P4 O14",
"formula_reduced": "LiNbP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.9840331727272726,
"spacegroup": 4
},
{
"id": "jvasp-24901",
"created_at": "2022-09-04T14:37:43.575146Z",
"updated_at": "2022-09-04T14:37:43.575177Z",
"structure_string": "Sb2 S2 Cl18\n1.0\n7.054386 -0.005294 -1.919556\n-3.361993 6.487411 -0.244130\n-0.073651 -0.021869 13.751012\nSb S Cl\n2 2 18\ndirect\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.565827 0.150494 0.716320 S\n0.434174 0.849507 0.283680 S\n0.172936 0.794870 0.967807 Cl\n0.891640 0.701235 0.592873 Cl\n0.148111 0.036970 0.185080 Cl\n0.827065 0.205130 0.032193 Cl\n0.384352 0.211870 0.596222 Cl\n0.772368 0.431132 0.802215 Cl\n0.366333 0.687910 0.612857 Cl\n0.693161 0.693161 -0.000000 Cl\n0.615649 0.788131 0.403778 Cl\n0.306840 0.306840 -0.000000 Cl\n0.108362 0.298765 0.407127 Cl\n0.075052 0.753475 0.387142 Cl\n0.628918 0.970152 0.197784 Cl\n0.924950 0.246526 0.612857 Cl\n0.633668 0.312090 0.387142 Cl\n0.227633 0.568868 0.197785 Cl\n0.371084 0.029848 0.802215 Cl\n0.851891 0.963031 0.814920 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sb",
"density": 2.500985904168669,
"density_atomic": 0.03503351238686429,
"volume": 627.9701491834667,
"volume_molar": 17.189657415731975,
"formula_full": "Sb2 S2 Cl18",
"formula_reduced": "SbSCl9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.4434647915909088,
"spacegroup": 12
}
]
}