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=-energy_above_hull&page=3575",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3573",
"results": [
{
"id": "jvasp-12122",
"created_at": "2022-09-04T14:38:03.410142Z",
"updated_at": "2022-09-04T14:38:03.410165Z",
"structure_string": "Sc4 I4 O4\n1.0\n3.797550 -0.000016 -0.758280\n-0.085967 7.219522 -0.430264\n-0.004321 0.004902 9.862892\nSc I O\n4 4 4\ndirect\n0.299214 0.383914 0.598460 Sc\n0.699315 0.117457 0.398588 Sc\n0.700786 0.616084 0.401540 Sc\n0.300684 0.882541 0.601412 Sc\n0.101825 0.351775 0.203329 I\n0.416630 0.155916 0.833672 I\n0.583369 0.844083 0.166328 I\n0.898175 0.648224 0.796671 I\n0.244573 0.628059 0.489152 O\n0.755707 0.879912 0.511428 O\n0.755427 0.371940 0.510848 O\n0.244293 0.120086 0.488572 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"I",
"O"
],
"chemical_system": "I-O-Sc",
"density": 4.614783354725051,
"density_atomic": 0.04438024145369742,
"volume": 270.3905974130353,
"volume_molar": 13.569418648348258,
"formula_full": "Sc4 I4 O4",
"formula_reduced": "ScIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4839683416666671,
"spacegroup": 12
},
{
"id": "jvasp-116627",
"created_at": "2022-09-04T14:38:42.563933Z",
"updated_at": "2022-09-04T14:38:42.563960Z",
"structure_string": "Ce8 S8 Cl8\n1.0\n6.837497 0.000000 0.000000\n0.000000 6.979807 0.000000\n-0.000000 -0.000000 13.432134\nCe S Cl\n8 8 8\ndirect\n0.258164 0.961781 0.901376 Ce\n0.741836 0.038219 0.098624 Ce\n0.241836 0.461781 0.098624 Ce\n0.741836 0.538219 0.401376 Ce\n0.758164 0.538219 0.901376 Ce\n0.258164 0.461781 0.598624 Ce\n0.758164 0.038219 0.598624 Ce\n0.241836 0.961781 0.401376 Ce\n0.501421 0.741880 0.027069 S\n0.498579 0.258120 0.972931 S\n-0.001421 0.241880 0.972931 S\n0.498579 0.758120 0.527069 S\n0.001421 0.758120 0.027069 S\n0.501421 0.241880 0.472931 S\n0.001421 0.258120 0.472931 S\n-0.001421 0.741880 0.527069 S\n0.136782 0.620363 0.788791 Cl\n0.863219 0.379638 0.211209 Cl\n0.363219 0.120363 0.211209 Cl\n0.863219 0.879638 0.288791 Cl\n0.636782 0.879638 0.788791 Cl\n0.136782 0.120363 0.711208 Cl\n0.636782 0.379638 0.711208 Cl\n0.363219 0.620363 0.288791 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ce",
"S",
"Cl"
],
"chemical_system": "Ce-Cl-S",
"density": 4.302808090097439,
"density_atomic": 0.037439122673726184,
"volume": 641.0406624416598,
"volume_molar": 16.085154592113838,
"formula_full": "Ce8 S8 Cl8",
"formula_reduced": "CeSCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4838398558333332,
"spacegroup": 61
},
{
"id": "jvasp-110552",
"created_at": "2022-09-04T14:38:38.788455Z",
"updated_at": "2022-09-04T14:38:38.788485Z",
"structure_string": "Nd1 Ga3 Pt1\n1.0\n3.958391 -0.023835 -4.713859\n-0.543100 3.921030 -4.713859\n0.020887 0.023835 6.155395\nNd Ga Pt\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.614892 0.614893 0.000000 Ga\n0.385108 0.385109 0.000000 Ga\n0.750000 0.250000 0.500001 Ga\n0.250000 0.750000 0.500000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"Pt"
],
"chemical_system": "Ga-Nd-Pt",
"density": 9.452793781669902,
"density_atomic": 0.05189295686208744,
"volume": 96.35218924387326,
"volume_molar": 11.604928923215255,
"formula_full": "Nd1 Ga3 Pt1",
"formula_reduced": "NdGa3Pt",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.483699975,
"spacegroup": 119
},
{
"id": "jvasp-117974",
"created_at": "2022-09-04T14:38:47.103061Z",
"updated_at": "2022-09-04T14:38:47.103090Z",
"structure_string": "Ca1 Ga1 H1\n1.0\n4.016158 0.131141 0.000000\n-0.153120 4.693865 0.000000\n0.000000 0.000000 3.569872\nCa Ga H\n1 1 1\ndirect\n0.417217 -0.162445 0.000000 Ca\n-0.082754 0.369516 0.000000 Ga\n-0.082790 0.005698 0.000000 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"H"
],
"chemical_system": "Ca-Ga-H",
"density": 2.7312880626412563,
"density_atomic": 0.04453124768186797,
"volume": 67.36842455958238,
"volume_molar": 13.523404515908203,
"formula_full": "Ca1 Ga1 H1",
"formula_reduced": "CaGaH",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4835942483333336,
"spacegroup": 25
},
{
"id": "jvasp-66521",
"created_at": "2022-09-04T14:36:20.456216Z",
"updated_at": "2022-09-04T14:36:20.456233Z",
"structure_string": "Ba4 Te1 Pt1\n1.0\n0.000000 4.843725 4.843725\n4.843725 0.000000 4.843725\n4.843725 4.843725 0.000000\nBa Te Pt\n4 1 1\ndirect\n0.125211 0.624929 0.624929 Ba\n0.624929 0.624929 0.624929 Ba\n0.624929 0.125211 0.624929 Ba\n0.624929 0.624929 0.125211 Ba\n0.000000 0.000000 0.000000 Te\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Te",
"Pt"
],
"chemical_system": "Ba-Pt-Te",
"density": 6.37078820587467,
"density_atomic": 0.02639871696610762,
"volume": 227.28377321152342,
"volume_molar": 22.812247912395186,
"formula_full": "Ba4 Te1 Pt1",
"formula_reduced": "Ba4TePt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4835021744444444,
"spacegroup": 216
},
{
"id": "jvasp-103115",
"created_at": "2022-09-04T14:36:45.458534Z",
"updated_at": "2022-09-04T14:36:45.458569Z",
"structure_string": "Cd1 Ag2 Sn1 Se4\n1.0\n4.291149 0.000000 0.000000\n0.000000 7.098830 -0.028998\n0.000000 -0.034872 7.521500\nCd Ag Sn Se\n1 2 1 4\ndirect\n0.000000 0.107648 0.825184 Cd\n0.500000 0.131278 0.325699 Ag\n0.500000 0.646881 0.692032 Ag\n0.000000 0.631370 0.158730 Sn\n0.500000 0.505344 0.341571 Se\n0.000000 0.494033 0.841074 Se\n0.500000 0.009420 0.651542 Se\n0.000000 0.994427 0.164165 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"Ag",
"Sn",
"Se"
],
"chemical_system": "Ag-Cd-Se-Sn",
"density": 5.527703730458633,
"density_atomic": 0.034916715285409725,
"volume": 229.11662608031386,
"volume_molar": 17.247157158899217,
"formula_full": "Cd1 Ag2 Sn1 Se4",
"formula_reduced": "CdAg2SnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.4834724295833332,
"spacegroup": 6
},
{
"id": "jvasp-108599",
"created_at": "2022-09-04T14:38:27.243233Z",
"updated_at": "2022-09-04T14:38:27.243243Z",
"structure_string": "Rb2 Li1 Gd1 Cl6\n1.0\n6.329088 -0.000000 3.654100\n2.109696 5.967121 3.654100\n-0.000000 -0.000000 7.308201\nRb Li Gd Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Gd\n0.744104 0.255896 0.255896 Cl\n0.255896 0.255896 0.744104 Cl\n0.255897 0.744104 0.744103 Cl\n0.255897 0.744104 0.255896 Cl\n0.744104 0.255896 0.744103 Cl\n0.744105 0.744104 0.255896 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Gd",
"Cl"
],
"chemical_system": "Cl-Gd-Li-Rb",
"density": 3.296021384155949,
"density_atomic": 0.0362312683746752,
"volume": 276.0046901087726,
"volume_molar": 16.621390942552082,
"formula_full": "Rb2 Li1 Gd1 Cl6",
"formula_reduced": "Rb2LiGdCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.4834717904999996,
"spacegroup": 225
},
{
"id": "jvasp-120864",
"created_at": "2022-09-04T14:38:54.426429Z",
"updated_at": "2022-09-04T14:38:54.426455Z",
"structure_string": "Ba1 Mg1 P1\n1.0\n6.662897 -1.361868 0.000000\n-0.507503 4.259360 0.000000\n0.000000 0.000000 3.598499\nBa Mg P\n1 1 1\ndirect\n-0.180687 -0.207487 0.000000 Ba\n0.378602 0.072071 0.000000 Mg\n0.176123 0.470952 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"P"
],
"chemical_system": "Ba-Mg-P",
"density": 3.2099418688520096,
"density_atomic": 0.03010925774742587,
"volume": 99.63712905730726,
"volume_molar": 20.00096053684635,
"formula_full": "Ba1 Mg1 P1",
"formula_reduced": "BaMgP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4834568399999999,
"spacegroup": 38
},
{
"id": "jvasp-109892",
"created_at": "2022-09-04T14:37:51.185156Z",
"updated_at": "2022-09-04T14:37:51.185165Z",
"structure_string": "Rb2 Li1 Mo1 Cl6\n1.0\n6.115988 -0.000000 3.531067\n2.038663 5.766209 3.531067\n-0.000000 -0.000000 7.062134\nRb Li Mo Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.754305 0.245695 0.245695 Cl\n0.245695 0.245695 0.754305 Cl\n0.245694 0.754305 0.754305 Cl\n0.245694 0.754305 0.245695 Cl\n0.754305 0.245695 0.754305 Cl\n0.754305 0.754305 0.245695 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Mo",
"Cl"
],
"chemical_system": "Cl-Li-Mo-Rb",
"density": 3.2439180187171286,
"density_atomic": 0.04015198698996095,
"volume": 249.05367703222913,
"volume_molar": 14.99836299883663,
"formula_full": "Rb2 Li1 Mo1 Cl6",
"formula_reduced": "Rb2LiMoCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.4833750304999999,
"spacegroup": 225
},
{
"id": "jvasp-59030",
"created_at": "2022-09-04T14:38:16.261554Z",
"updated_at": "2022-09-04T14:38:16.261580Z",
"structure_string": "K4 Mn4 Br12\n1.0\n4.044341 0.000000 0.000000\n0.000000 9.241954 0.000000\n0.000000 0.000000 15.021558\nK Mn Br\n4 4 12\ndirect\n0.750000 0.566015 0.825036 K\n0.250000 0.433985 0.174964 K\n0.750000 0.066015 0.674965 K\n0.250000 0.933985 0.325036 K\n0.250000 0.165097 0.943918 Mn\n0.750000 0.834903 0.056082 Mn\n0.250000 0.665097 0.556082 Mn\n0.750000 0.334903 0.443918 Mn\n0.750000 0.977186 0.897079 Br\n0.250000 0.022814 0.102921 Br\n0.250000 0.169657 0.507280 Br\n0.750000 0.830342 0.492720 Br\n0.250000 0.669657 0.992720 Br\n0.750000 0.715804 0.210257 Br\n0.750000 0.215804 0.289743 Br\n0.250000 0.784196 0.710257 Br\n0.250000 0.522814 0.397079 Br\n0.250000 0.284196 0.789743 Br\n0.750000 0.330343 0.007280 Br\n0.750000 0.477186 0.602921 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Mn",
"Br"
],
"chemical_system": "Br-K-Mn",
"density": 3.9482228885945507,
"density_atomic": 0.035620781872621604,
"volume": 561.4699888261619,
"volume_molar": 16.90625652613387,
"formula_full": "K4 Mn4 Br12",
"formula_reduced": "KMnBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4832353177068966,
"spacegroup": 62
},
{
"id": "jvasp-93197",
"created_at": "2022-09-04T14:35:58.302622Z",
"updated_at": "2022-09-04T14:35:58.302654Z",
"structure_string": "Mg6 Ti1 B1\n1.0\n6.553867 1.242421 0.000000\n-2.200967 6.297025 0.000000\n0.000000 0.000000 3.605053\nMg Ti B\n6 1 1\ndirect\n0.207151 0.943873 0.250000 Mg\n0.556127 0.292849 0.250000 Mg\n0.670199 0.829802 0.250000 Mg\n0.382519 0.614628 0.749999 Mg\n0.885373 0.117481 0.749999 Mg\n0.901596 0.598404 0.749999 Mg\n0.134803 0.365198 0.250000 Ti\n0.262233 0.237767 0.749999 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"B"
],
"chemical_system": "B-Mg-Ti",
"density": 2.140679847423709,
"density_atomic": 0.050429226701100865,
"volume": 158.63816527302333,
"volume_molar": 11.94176701477863,
"formula_full": "Mg6 Ti1 B1",
"formula_reduced": "Mg6TiB",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.4828931520833333,
"spacegroup": 38
},
{
"id": "jvasp-40105",
"created_at": "2022-09-04T14:37:48.584668Z",
"updated_at": "2022-09-04T14:37:48.584685Z",
"structure_string": "Ca1 Cd1 Pd2\n1.0\n0.000000 3.373781 3.373781\n3.373781 -0.000000 3.373781\n3.373781 3.373781 0.000000\nCa Cd Pd\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Ca\n0.750001 0.750001 0.750001 Cd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Pd"
],
"chemical_system": "Ca-Cd-Pd",
"density": 7.898644826232026,
"density_atomic": 0.05208100202639599,
"volume": 76.80343780583748,
"volume_molar": 11.56302783296647,
"formula_full": "Ca1 Cd1 Pd2",
"formula_reduced": "CaCdPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4828846900000001,
"spacegroup": 225
}
]
}