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=nelements&page=4462",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4460",
"results": [
{
"id": "jvasp-102427",
"created_at": "2022-09-04T14:36:50.555452Z",
"updated_at": "2022-09-04T14:36:50.555473Z",
"structure_string": "Rb2 Li1 Ta1 F6\n1.0\n5.139528 -0.000000 2.967308\n1.713176 4.845594 2.967308\n-0.000000 -0.000000 5.934616\nRb Li Ta F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.749999 0.750001 Rb\n0.500001 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ta\n0.250379 0.250378 0.749622 F\n0.250379 0.749621 0.749622 F\n0.749623 0.749621 0.250379 F\n0.250379 0.749621 0.250379 F\n0.749622 0.250378 0.749622 F\n0.749622 0.250378 0.250379 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ta",
"F"
],
"chemical_system": "F-Li-Rb-Ta",
"density": 5.312236095672782,
"density_atomic": 0.06766079830326494,
"volume": 147.79606878385673,
"volume_molar": 8.900487299910273,
"formula_full": "Rb2 Li1 Ta1 F6",
"formula_reduced": "Rb2LiTaF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.2652060894999996,
"spacegroup": 225
},
{
"id": "jvasp-29547",
"created_at": "2022-09-04T14:37:02.551838Z",
"updated_at": "2022-09-04T14:37:02.551863Z",
"structure_string": "Hg1 B2 C8 N8\n1.0\n7.830922 0.000000 0.000000\n-3.915461 6.781778 -0.000000\n-0.000000 0.000000 5.907559\nHg B C N\n1 2 8 8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.666667 0.333333 0.391018 B\n0.333333 0.666667 0.608982 B\n0.223226 0.776775 0.699977 C\n0.666667 0.333333 0.659115 C\n0.776774 0.223226 0.300023 C\n0.446451 0.223226 0.300023 C\n0.333333 0.666667 0.340885 C\n0.553549 0.776775 0.699977 C\n0.776774 0.553549 0.300023 C\n0.223226 0.446452 0.699977 C\n0.666667 0.333333 0.855709 N\n0.142339 0.284678 0.762653 N\n0.142339 0.857661 0.762653 N\n0.284678 0.142339 0.237347 N\n0.857661 0.715322 0.237347 N\n0.715322 0.857661 0.762653 N\n0.333333 0.666667 0.144291 N\n0.857661 0.142339 0.237347 N\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Hg",
"B",
"C",
"N"
],
"chemical_system": "B-C-Hg-N",
"density": 2.2777580003285642,
"density_atomic": 0.06056044614230555,
"volume": 313.7361299379071,
"volume_molar": 9.944016505177508,
"formula_full": "Hg1 B2 C8 N8",
"formula_reduced": "HgB2(CN)8",
"formula_anonymous": "AB2C8D8",
"energy_above_hull": 6.440733987719298,
"spacegroup": 164
},
{
"id": "jvasp-102795",
"created_at": "2022-09-04T14:36:57.440818Z",
"updated_at": "2022-09-04T14:36:57.440848Z",
"structure_string": "Ca1 Yb3 In2 Ge4\n1.0\n7.327123 -0.001048 0.000000\n-0.026732 7.327075 0.000000\n0.000000 0.000000 4.379875\nYb Ca In Ge\n3 1 2 4\ndirect\n0.174070 0.825929 -0.000000 Yb\n0.672721 0.673570 -0.000000 Yb\n0.326429 0.327279 -0.000000 Yb\n0.825294 0.174706 -0.000000 Ca\n0.500082 0.999717 0.500001 In\n0.000282 0.499918 0.500001 In\n0.376676 0.623324 0.500001 Ge\n0.620505 0.379494 0.500001 Ge\n0.124892 0.120952 0.500001 Ge\n0.879048 0.875107 0.500001 Ge\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ca",
"In",
"Ge"
],
"chemical_system": "Ca-Ge-In-Yb",
"density": 7.622606284106008,
"density_atomic": 0.042527944399181866,
"volume": 235.1395098276223,
"volume_molar": 14.16043226419345,
"formula_full": "Ca1 Yb3 In2 Ge4",
"formula_reduced": "CaYb3(InGe2)2",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-101969",
"created_at": "2022-09-04T14:37:03.211668Z",
"updated_at": "2022-09-04T14:37:03.211696Z",
"structure_string": "Cd1 H20 C12 O4\n1.0\n3.884237 0.060889 0.996410\n0.969921 4.201700 0.264656\n-0.139488 0.102302 17.366804\nCd H C O\n1 20 12 4\ndirect\n0.469476 0.970536 0.858316 Cd\n0.188781 0.709663 0.515973 H\n0.240256 0.182165 0.589964 H\n0.413082 0.798928 0.016820 H\n0.058032 0.362450 0.146819 H\n0.607237 0.387594 0.189443 H\n0.143707 0.281989 0.294651 H\n0.683728 0.334240 0.330318 H\n0.203993 0.225953 0.441197 H\n0.741443 0.289766 0.473975 H\n0.535586 0.406659 0.055069 H\n0.774387 0.259475 0.618932 H\n0.894891 0.915802 0.087380 H\n0.452078 0.943496 0.136231 H\n0.039721 0.825688 0.229088 H\n0.581588 0.875860 0.265910 H\n0.125400 0.761158 0.371461 H\n0.663665 0.823874 0.404974 H\n0.238514 0.656623 0.663910 H\n0.768580 0.768704 0.686374 H\n0.724753 0.784903 0.546272 H\n0.941295 0.549130 0.966933 C\n0.625012 0.625619 0.036766 C\n0.698453 0.772689 0.108175 C\n0.805144 0.531679 0.171686 C\n0.830239 0.693616 0.245223 C\n0.894723 0.464961 0.314073 C\n-0.002448 0.375498 0.603608 C\n0.957797 0.414481 0.458220 C\n0.967234 0.591072 0.530940 C\n-0.001151 0.564376 0.675646 C\n-0.008365 0.357326 0.749524 C\n0.909760 0.635662 0.387214 C\n0.172477 0.290435 0.967084 O\n0.721350 0.423975 0.808547 O\n0.250867 0.116633 0.748837 O\n0.963704 0.760895 0.910555 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 1.9991969909687943,
"density_atomic": 0.1307499213543269,
"volume": 282.9829618002716,
"volume_molar": 4.605846563899833,
"formula_full": "Cd1 H20 C12 O4",
"formula_reduced": "CdH20(C3O)4",
"formula_anonymous": "AB4C12D20",
"energy_above_hull": 4.595710371621623,
"spacegroup": 1
},
{
"id": "jvasp-102870",
"created_at": "2022-09-04T14:36:42.968134Z",
"updated_at": "2022-09-04T14:36:42.968153Z",
"structure_string": "K2 Sc1 Au1 Cl6\n1.0\n6.318026 -0.000000 3.647714\n2.106009 5.956691 3.647714\n0.000000 0.000000 7.295428\nK Sc Au Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.499999 Au\n0.759839 0.240161 0.240161 Cl\n0.240162 0.240161 0.759839 Cl\n0.240162 0.759838 0.759838 Cl\n0.240162 0.759838 0.240161 Cl\n0.759839 0.240161 0.759838 Cl\n0.759839 0.759838 0.240160 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K-Sc",
"density": 3.222599100763201,
"density_atomic": 0.03642191224403927,
"volume": 274.55999380253786,
"volume_molar": 16.534389297436107,
"formula_full": "K2 Sc1 Au1 Cl6",
"formula_reduced": "K2ScAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0461263225,
"spacegroup": 225
},
{
"id": "jvasp-103162",
"created_at": "2022-09-04T14:36:44.316672Z",
"updated_at": "2022-09-04T14:36:44.316693Z",
"structure_string": "K2 Rb1 Er1 Cl6\n1.0\n6.875513 0.000000 3.969579\n2.291838 6.482295 3.969579\n-0.000000 0.000000 7.939159\nK Rb Er Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Er\n0.769338 0.230662 0.230662 Cl\n0.230661 0.230662 0.769339 Cl\n0.230661 0.769339 0.769339 Cl\n0.230661 0.769339 0.230661 Cl\n0.769338 0.230662 0.769339 Cl\n0.769338 0.769339 0.230661 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Er",
"Cl"
],
"chemical_system": "Cl-Er-K-Rb",
"density": 2.551251194521936,
"density_atomic": 0.028261265262061918,
"volume": 353.84119951006073,
"volume_molar": 21.308815101368285,
"formula_full": "K2 Rb1 Er1 Cl6",
"formula_reduced": "K2RbErCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-42171",
"created_at": "2022-09-04T14:36:39.397533Z",
"updated_at": "2022-09-04T14:36:39.397548Z",
"structure_string": "Li4 Mn4 Si4 O16\n1.0\n4.882162 0.000000 0.000000\n0.000000 6.298709 0.000000\n0.000000 0.000000 8.986213\nLi Mn Si O\n4 4 4 16\ndirect\n0.465512 0.250000 0.835863 Li\n0.034488 0.250000 0.335863 Li\n0.965511 0.750000 0.664137 Li\n0.534488 0.750000 0.164137 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.034352 0.750000 0.319852 Si\n0.465648 0.750000 0.819852 Si\n0.534351 0.250000 0.180148 Si\n0.965648 0.250000 0.680147 Si\n0.103916 0.750000 0.134724 O\n0.709609 0.750000 0.365972 O\n0.396084 0.750000 0.634724 O\n0.790391 0.750000 0.865972 O\n0.185979 0.534889 0.381992 O\n0.314021 0.534889 0.881992 O\n0.685978 0.465112 0.118008 O\n0.685978 0.034889 0.118008 O\n0.603916 0.250000 0.365276 O\n0.209609 0.250000 0.134027 O\n0.290391 0.250000 0.634027 O\n0.896083 0.250000 0.865275 O\n0.314021 0.965112 0.881992 O\n0.814021 0.034889 0.618008 O\n0.814021 0.465112 0.618008 O\n0.185979 0.965112 0.381992 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.700689116404665,
"density_atomic": 0.10132522863320303,
"volume": 276.3378911421942,
"volume_molar": 5.943377420642324,
"formula_full": "Li4 Mn4 Si4 O16",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.545388548768473,
"spacegroup": 62
},
{
"id": "jvasp-103148",
"created_at": "2022-09-04T14:36:42.321579Z",
"updated_at": "2022-09-04T14:36:42.321607Z",
"structure_string": "Ti1 Zn1 Bi2 O6\n1.0\n3.781731 0.000000 0.000000\n-0.000000 3.781731 0.000000\n0.000000 0.000000 9.700602\nTi Zn Bi O\n1 1 2 6\ndirect\n0.500000 0.500000 0.787570 Ti\n0.500000 0.500000 0.263740 Zn\n0.000000 0.000000 0.473286 Bi\n0.000000 0.000000 0.003472 Bi\n0.500000 0.500000 0.610168 O\n0.000000 0.500000 0.347858 O\n0.500000 0.000000 0.847754 O\n0.500000 0.000000 0.347858 O\n0.500000 0.500000 0.061238 O\n0.000000 0.500000 0.847754 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ti",
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Ti-Zn",
"density": 7.507549106154716,
"density_atomic": 0.07208087437893913,
"volume": 138.73305625329425,
"volume_molar": 8.354699928223363,
"formula_full": "Ti1 Zn1 Bi2 O6",
"formula_reduced": "TiZn(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.024115833333333,
"spacegroup": 99
},
{
"id": "jvasp-52409",
"created_at": "2022-09-04T14:37:03.240383Z",
"updated_at": "2022-09-04T14:37:03.240399Z",
"structure_string": "Zn4 P2 H2 O10\n1.0\n5.553683 0.029463 0.041485\n0.294231 5.733682 0.009684\n1.445450 1.324817 6.241800\nZn P H O\n4 2 2 10\ndirect\n0.385315 0.248683 0.508577 Zn\n0.614685 0.751317 0.491421 Zn\n0.026099 0.737373 0.811892 Zn\n0.973901 0.262627 0.188107 Zn\n0.832397 0.249955 0.726518 P\n0.167603 0.750045 0.273480 P\n0.434678 0.905993 0.825347 H\n0.565322 0.094007 0.174652 H\n0.027849 0.248097 0.513298 O\n0.972151 0.751903 0.486701 O\n0.405543 0.619715 0.329196 O\n0.594457 0.380285 0.670802 O\n0.771083 0.992762 0.851996 O\n0.939655 0.387698 0.865980 O\n0.228917 0.007238 0.148003 O\n0.360311 0.889121 0.705893 O\n0.060345 0.612302 0.134019 O\n0.639689 0.110879 0.294105 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Zn",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Zn",
"density": 4.066187532051594,
"density_atomic": 0.09076910078758219,
"volume": 198.3053687192913,
"volume_molar": 6.634571354951517,
"formula_full": "Zn4 P2 H2 O10",
"formula_reduced": "Zn2PHO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6949793111111109,
"spacegroup": 2
},
{
"id": "jvasp-102888",
"created_at": "2022-09-04T14:36:50.512528Z",
"updated_at": "2022-09-04T14:36:50.512544Z",
"structure_string": "Rb2 Al1 Au1 Cl6\n1.0\n6.191772 0.000000 3.574821\n2.063924 5.837659 3.574821\n-0.000000 0.000000 7.149643\nRb Al Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.499999 0.500000 0.500000 Au\n0.767697 0.232303 0.232302 Cl\n0.232302 0.232303 0.767697 Cl\n0.232302 0.767698 0.767697 Cl\n0.232302 0.767698 0.232302 Cl\n0.767697 0.232303 0.767697 Cl\n0.767697 0.767698 0.232302 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"Au",
"Cl"
],
"chemical_system": "Al-Au-Cl-Rb",
"density": 3.904181936617433,
"density_atomic": 0.03869563381570171,
"volume": 258.4270888965838,
"volume_molar": 15.56284305532261,
"formula_full": "Rb2 Al1 Au1 Cl6",
"formula_reduced": "Rb2AlAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-10298",
"created_at": "2022-09-04T14:37:02.682151Z",
"updated_at": "2022-09-04T14:37:02.682171Z",
"structure_string": "K4 V2 Ag2 S8\n1.0\n5.597207 0.000000 1.457794\n2.798604 6.428417 0.728897\n0.020327 0.000000 11.396101\nK V Ag S\n4 2 2 8\ndirect\n0.556882 0.250000 0.886236 K\n0.443118 0.750000 0.113764 K\n0.193119 0.250000 0.613764 K\n0.806881 0.750000 0.386236 K\n0.625000 0.750000 0.750000 V\n0.375000 0.250000 0.250000 V\n0.125000 0.750000 0.750000 Ag\n0.875000 0.250000 0.250000 Ag\n0.872471 0.545310 0.866991 S\n0.582221 0.545310 0.633009 S\n0.784771 0.954691 0.633009 S\n0.260538 0.954691 0.866991 S\n0.127529 0.454691 0.133009 S\n0.215229 0.045310 0.366991 S\n0.417779 0.454691 0.366991 S\n0.739462 0.045310 0.133008 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"V",
"Ag",
"S"
],
"chemical_system": "Ag-K-S-V",
"density": 2.959775712796614,
"density_atomic": 0.03903822710532058,
"volume": 409.85467800148473,
"volume_molar": 15.426266012933853,
"formula_full": "K4 V2 Ag2 S8",
"formula_reduced": "K2VAgS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.2970921825,
"spacegroup": 70
},
{
"id": "jvasp-103781",
"created_at": "2022-09-04T14:37:03.270718Z",
"updated_at": "2022-09-04T14:37:03.270753Z",
"structure_string": "H14 C18 S4 N2\n1.0\n4.696550 0.013897 0.327560\n0.920561 7.599078 0.954147\n0.006737 0.180855 11.410293\nH C S N\n14 18 4 2\ndirect\n0.550513 0.049476 0.940486 H\n0.838259 0.926291 0.371691 H\n0.338255 0.926289 0.871689 H\n0.525269 0.478551 0.024249 H\n0.287042 0.992541 0.642412 H\n0.787045 0.992538 0.142413 H\n0.794013 0.536729 0.252027 H\n0.025271 0.478552 0.524251 H\n0.451021 0.214839 0.458309 H\n0.951021 0.214836 0.958309 H\n0.399806 0.804502 0.183003 H\n0.899802 0.804502 0.683001 H\n0.050518 0.049477 0.440486 H\n0.294010 0.536728 0.752025 H\n0.059490 0.101080 0.249574 C\n0.047146 0.978326 0.363492 C\n0.547142 0.978325 0.863491 C\n0.716629 0.311102 0.576095 C\n0.216628 0.311101 0.076094 C\n0.287204 0.826796 0.367603 C\n0.787200 0.826795 0.867602 C\n0.559488 0.101080 0.749574 C\n0.659973 0.571745 0.432245 C\n0.940561 0.755018 0.775168 C\n0.521363 0.206935 0.547851 C\n0.021363 0.206932 0.047851 C\n0.440564 0.755018 0.275169 C\n0.434439 0.088497 0.646513 C\n0.934441 0.088495 0.146514 C\n0.651064 0.610648 0.311621 C\n0.151061 0.610647 0.811620 C\n0.159970 0.571744 0.932243 C\n0.903059 0.716450 0.002196 S\n0.403062 0.716452 0.502197 S\n0.280921 0.267774 0.226869 S\n0.780920 0.267774 0.726870 S\n0.340766 0.441119 0.999266 N\n0.840768 0.441119 0.499268 N\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.5798991505829543,
"density_atomic": 0.09352499067423231,
"volume": 406.30851418485764,
"volume_molar": 6.439071222125445,
"formula_full": "H14 C18 S4 N2",
"formula_reduced": "H7C9S2N",
"formula_anonymous": "AB2C7D9",
"energy_above_hull": 5.396404381578948,
"spacegroup": 1
}
]
}