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=-created_at&page=647",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=645",
"results": [
{
"id": "jvasp-37786",
"created_at": "2022-09-04T14:38:34.662374Z",
"updated_at": "2022-09-04T14:38:34.662397Z",
"structure_string": "K3 Hg1\n1.0\n-2.897707 2.897707 5.500823\n2.897707 -2.897707 5.500823\n2.897707 2.897707 -5.500823\nK Hg\n3 1\ndirect\n0.750001 0.250001 0.500000 K\n0.250001 0.750001 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 2.857079954869668,
"density_atomic": 0.02165027361380867,
"volume": 184.75517082836203,
"volume_molar": 27.815541121656047,
"formula_full": "K3 Hg1",
"formula_reduced": "K3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-20203",
"created_at": "2022-09-04T14:38:34.662244Z",
"updated_at": "2022-09-04T14:38:34.662273Z",
"structure_string": "Ti4 As4\n1.0\n1.828213 -3.166556 -0.000000\n1.828213 3.166556 0.000000\n-0.000000 -0.000000 12.094315\nTi As\n4 4\ndirect\n0.666667 0.333332 0.882458 Ti\n0.333332 0.666667 0.382458 Ti\n0.333332 0.666667 0.117543 Ti\n0.666667 0.333332 0.617543 Ti\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 As\n0.666667 0.333332 0.250000 As\n0.333332 0.666667 0.750000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"As"
],
"chemical_system": "As-Ti",
"density": 5.824275361064521,
"density_atomic": 0.057130069178167035,
"volume": 140.03133752649646,
"volume_molar": 10.5411053174454,
"formula_full": "Ti4 As4",
"formula_reduced": "TiAs",
"formula_anonymous": "AB",
"energy_above_hull": 1.5768450416666662,
"spacegroup": 194
},
{
"id": "jvasp-119105",
"created_at": "2022-09-04T14:38:34.655180Z",
"updated_at": "2022-09-04T14:38:34.655208Z",
"structure_string": "Er4 Al18 Pd6\n1.0\n7.626344 0.008253 0.000000\n-3.772946 6.627674 0.000000\n0.000000 -0.000000 9.449468\nEr Al Pd\n4 18 6\ndirect\n0.994440 0.669855 0.250000 Er\n0.005558 0.330144 0.750000 Er\n0.669854 0.994441 0.250000 Er\n0.330144 0.005558 0.750000 Er\n0.452657 0.662772 0.750000 Al\n0.547342 0.337227 0.250000 Al\n0.662772 0.452657 0.750000 Al\n0.337227 0.547342 0.250000 Al\n0.332915 0.332915 0.937816 Al\n0.667083 0.667084 0.062184 Al\n0.667083 0.667084 0.437816 Al\n0.332915 0.332915 0.562184 Al\n0.334838 0.999928 0.076867 Al\n0.665161 0.000071 0.576867 Al\n0.999928 0.334838 0.423133 Al\n0.334838 0.999928 0.423133 Al\n0.000070 0.665161 0.576867 Al\n0.000070 0.665161 0.923133 Al\n0.999928 0.334838 0.076867 Al\n0.871604 0.871604 0.750000 Al\n0.128395 0.128395 0.250000 Al\n0.665161 0.000071 0.923133 Al\n0.000000 0.000000 0.000000 Pd\n0.671639 0.328359 -0.000000 Pd\n0.328359 0.671640 -0.000000 Pd\n0.328359 0.671640 0.500000 Pd\n0.671639 0.328359 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Er",
"Al",
"Pd"
],
"chemical_system": "Al-Er-Pd",
"density": 6.230619273317899,
"density_atomic": 0.05858759614957814,
"volume": 477.9168602260807,
"volume_molar": 10.278866442352513,
"formula_full": "Er4 Al18 Pd6",
"formula_reduced": "Er2(Al3Pd)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 1.974536592857143,
"spacegroup": 63
},
{
"id": "jvasp-57457",
"created_at": "2022-09-04T14:38:34.652178Z",
"updated_at": "2022-09-04T14:38:34.652204Z",
"structure_string": "K2 Nd2 Pd2 O6\n1.0\n3.959621 -0.000000 -0.000000\n-1.979810 6.441771 -1.715266\n-0.000000 -0.002464 7.402312\nK Nd Pd O\n2 2 2 6\ndirect\n0.643972 0.287944 0.564835 K\n0.356028 0.712056 0.435164 K\n0.350400 0.700799 0.920311 Nd\n0.649600 0.299201 0.079688 Nd\n0.993508 0.987016 0.230597 Pd\n0.006492 0.012985 0.769402 Pd\n0.847544 0.695090 0.716944 O\n0.493605 0.987210 0.193960 O\n0.168342 0.336685 0.864275 O\n0.152456 0.304910 0.283055 O\n0.831658 0.663316 0.135724 O\n0.506395 0.012791 0.806039 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Nd",
"Pd",
"O"
],
"chemical_system": "K-Nd-O-Pd",
"density": 5.941520340360596,
"density_atomic": 0.06356139992998487,
"volume": 188.79382790842277,
"volume_molar": 9.474525052364486,
"formula_full": "K2 Nd2 Pd2 O6",
"formula_reduced": "KNdPdO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.41767595,
"spacegroup": 12
},
{
"id": "jvasp-31190",
"created_at": "2022-09-04T14:38:34.648895Z",
"updated_at": "2022-09-04T14:38:34.648923Z",
"structure_string": "Ba1 Ga2 Te4\n1.0\n6.781578 0.019725 0.019725\n3.372581 6.057627 0.009820\n3.372581 0.009820 6.057627\nBa Ga Te\n1 2 4\ndirect\n0.750001 -0.000009 0.000007 Ba\n0.250000 0.500029 0.499971 Ga\n0.750000 0.500016 0.499983 Ga\n0.170928 0.499957 0.158071 Te\n0.329072 0.841929 0.500044 Te\n0.670865 0.158115 0.500040 Te\n0.829135 0.499959 0.841885 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Te"
],
"chemical_system": "Ba-Ga-Te",
"density": 5.269764125583258,
"density_atomic": 0.02822083956520283,
"volume": 248.04364816386317,
"volume_molar": 21.339339483809994,
"formula_full": "Ba1 Ga2 Te4",
"formula_reduced": "Ba(GaTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3444493749999997,
"spacegroup": 97
},
{
"id": "jvasp-57864",
"created_at": "2022-09-04T14:38:34.644401Z",
"updated_at": "2022-09-04T14:38:34.644414Z",
"structure_string": "Mn4 Sb8 S16\n1.0\n3.845986 0.000000 0.000000\n0.000000 11.475614 0.000000\n0.000000 0.000000 14.319899\nMn Sb S\n4 8 16\ndirect\n0.750001 0.683285 0.666398 Mn\n0.250000 0.816714 0.166398 Mn\n0.750001 0.183285 0.833602 Mn\n0.250000 0.316714 0.333602 Mn\n0.250000 0.458067 0.886876 Sb\n0.750001 0.541933 0.113124 Sb\n0.750001 0.041933 0.386876 Sb\n0.250000 0.958067 0.613124 Sb\n0.750001 0.358453 0.562515 Sb\n0.250000 0.141547 0.062515 Sb\n0.750001 0.858453 0.937485 Sb\n0.250000 0.641546 0.437485 Sb\n0.750001 0.578300 0.818541 S\n0.250000 0.224237 0.491061 S\n0.750001 0.775762 0.508939 S\n0.250000 0.921700 0.318541 S\n0.750001 0.078300 0.681459 S\n0.250000 0.421700 0.181459 S\n0.250000 0.303698 0.767613 S\n0.250000 0.044572 0.902391 S\n0.250000 0.803698 0.732387 S\n0.750001 0.196302 0.267613 S\n0.250000 0.544572 0.597609 S\n0.750001 0.955428 0.097609 S\n0.250000 0.724237 0.008939 S\n0.750001 0.275763 0.991061 S\n0.750001 0.696302 0.232387 S\n0.750001 0.455428 0.402391 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"S"
],
"chemical_system": "Mn-S-Sb",
"density": 4.484628906503271,
"density_atomic": 0.044303133649908,
"volume": 632.0094696068559,
"volume_molar": 13.593035670090812,
"formula_full": "Mn4 Sb8 S16",
"formula_reduced": "Mn(SbS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.395242777339901,
"spacegroup": 62
},
{
"id": "jvasp-20180",
"created_at": "2022-09-04T14:38:34.642245Z",
"updated_at": "2022-09-04T14:38:34.642260Z",
"structure_string": "Tl16 O24\n1.0\n8.761229 0.000000 -3.097562\n-4.380614 7.587447 -3.097562\n-0.000000 -0.000000 9.292686\nTl O\n16 24\ndirect\n0.250001 0.717737 0.467738 Tl\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.500000 Tl\n0.500000 -0.000000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n0.250000 0.217737 0.967737 Tl\n0.532264 0.750000 0.282264 Tl\n0.282264 0.532263 0.750001 Tl\n0.967737 0.250000 0.217737 Tl\n0.750000 0.282263 0.532264 Tl\n0.750001 0.782263 0.032264 Tl\n0.717737 0.467737 0.250001 Tl\n0.467737 0.250000 0.717737 Tl\n0.782263 0.032263 0.750001 Tl\n0.217738 0.967737 0.250001 Tl\n0.032264 0.750000 0.782264 Tl\n0.228671 0.457406 0.463410 O\n0.036591 0.493996 0.765261 O\n0.228735 0.271330 0.734740 O\n0.271265 0.006004 0.042595 O\n0.536591 0.771330 0.542595 O\n0.271330 0.734740 0.228736 O\n0.993997 0.957406 0.728736 O\n0.265261 0.771265 0.728671 O\n0.506004 0.234740 0.963410 O\n0.957406 0.728735 0.993997 O\n0.728671 0.265261 0.771265 O\n0.234740 0.963410 0.506005 O\n0.542595 0.536590 0.771330 O\n0.765261 0.036590 0.493996 O\n0.771330 0.542595 0.536591 O\n0.771265 0.728671 0.265261 O\n0.963410 0.506004 0.234740 O\n0.463410 0.228670 0.457406 O\n0.006004 0.042594 0.271265 O\n0.734740 0.228735 0.271330 O\n0.493996 0.765261 0.036591 O\n0.042595 0.271265 0.006004 O\n0.728736 0.993996 0.957407 O\n0.457406 0.463410 0.228671 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Tl",
"O"
],
"chemical_system": "O-Tl",
"density": 9.82267438182488,
"density_atomic": 0.06475272151820545,
"volume": 617.7346536508719,
"volume_molar": 9.300212591538497,
"formula_full": "Tl16 O24",
"formula_reduced": "Tl2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.11201114,
"spacegroup": 206
},
{
"id": "jvasp-119516",
"created_at": "2022-09-04T14:38:34.639035Z",
"updated_at": "2022-09-04T14:38:34.639062Z",
"structure_string": "Bi8 Te6 N4\n1.0\n7.666064 -0.000000 0.000000\n0.000000 16.397955 0.000000\n0.000000 0.000000 4.115547\nBi Te N\n8 6 4\ndirect\n0.691233 0.937428 0.500000 Bi\n0.308766 0.062571 0.500000 Bi\n0.191234 0.562571 -0.000000 Bi\n0.808766 0.437428 -0.000000 Bi\n0.792122 0.642141 0.500000 Bi\n0.207877 0.357859 0.500000 Bi\n0.292123 0.857859 -0.000000 Bi\n0.707877 0.142141 -0.000000 Bi\n0.656573 0.780573 -0.000000 Te\n0.343427 0.219427 -0.000000 Te\n0.156573 0.719427 0.500000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.843427 0.280573 0.500000 Te\n0.110246 0.426272 -0.000000 N\n0.610246 0.073728 0.500000 N\n0.389753 0.926272 0.500000 N\n0.889753 0.573728 -0.000000 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Bi",
"Te",
"N"
],
"chemical_system": "Bi-N-Te",
"density": 8.003197754979189,
"density_atomic": 0.034792273485969895,
"volume": 517.3562459854359,
"volume_molar": 17.308845202163774,
"formula_full": "Bi8 Te6 N4",
"formula_reduced": "Bi4Te3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.211553,
"spacegroup": 58
},
{
"id": "jvasp-56601",
"created_at": "2022-09-04T14:38:34.636418Z",
"updated_at": "2022-09-04T14:38:34.636454Z",
"structure_string": "Ca1 In1 Cu4\n1.0\n4.454300 0.000000 2.571692\n1.484767 4.199555 2.571692\n-0.000000 0.000000 5.143383\nCa In Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 In\n0.624472 0.126583 0.624471 Cu\n0.624472 0.624471 0.126583 Cu\n0.126584 0.624471 0.624471 Cu\n0.624472 0.624471 0.624471 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"In",
"Cu"
],
"chemical_system": "Ca-Cu-In",
"density": 7.060342063723291,
"density_atomic": 0.06236194446492224,
"volume": 96.21252274093088,
"volume_molar": 9.656755913676447,
"formula_full": "Ca1 In1 Cu4",
"formula_reduced": "CaInCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-57653",
"created_at": "2022-09-04T14:38:34.633600Z",
"updated_at": "2022-09-04T14:38:34.633627Z",
"structure_string": "Cu8 O6\n1.0\n5.267627 -0.000000 -2.670111\n-1.353454 5.090781 -2.670111\n-0.032783 -0.042637 6.466399\nCu O\n8 6\ndirect\n0.500001 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000001 0.500000 0.500000 Cu\n0.500001 0.500000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 -0.000000 0.500000 Cu\n0.500001 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.625001 0.375000 0.250000 O\n0.375001 0.624999 0.750000 O\n0.637976 0.887974 0.275950 O\n0.887976 0.637974 0.775950 O\n0.362026 0.112025 0.724051 O\n0.112026 0.362025 0.224051 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 5.827742877607641,
"density_atomic": 0.08129810939862854,
"volume": 172.2057265975754,
"volume_molar": 7.407479466061963,
"formula_full": "Cu8 O6",
"formula_reduced": "Cu4O3",
"formula_anonymous": "A3B4",
"energy_above_hull": 0.8993476785714287,
"spacegroup": 141
},
{
"id": "jvasp-21480",
"created_at": "2022-09-04T14:38:34.632370Z",
"updated_at": "2022-09-04T14:38:34.632386Z",
"structure_string": "Y12 Pt4\n1.0\n6.490606 0.000000 0.000000\n0.000000 7.053932 0.000000\n0.000000 0.000000 9.561614\nY Pt\n12 4\ndirect\n0.131306 0.025240 0.250000 Y\n0.631307 0.474760 0.750000 Y\n0.368694 0.525240 0.250000 Y\n0.868694 0.974760 0.750000 Y\n0.678849 0.180173 0.060463 Y\n0.178849 0.319827 0.939537 Y\n0.821152 0.680173 0.439537 Y\n0.321152 0.819827 0.560463 Y\n0.321152 0.819827 0.939537 Y\n0.821152 0.680173 0.060463 Y\n0.178849 0.319827 0.560463 Y\n0.678849 0.180173 0.439537 Y\n0.949741 0.387730 0.250000 Pt\n0.449741 0.112270 0.750000 Pt\n0.550260 0.887730 0.250000 Pt\n0.050260 0.612269 0.750000 Pt\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Y",
"Pt"
],
"chemical_system": "Pt-Y",
"density": 7.006752095004108,
"density_atomic": 0.036548727392640014,
"volume": 437.771740397779,
"volume_molar": 16.477019008910023,
"formula_full": "Y12 Pt4",
"formula_reduced": "Y3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6450269375,
"spacegroup": 62
},
{
"id": "jvasp-20113",
"created_at": "2022-09-04T14:38:34.627521Z",
"updated_at": "2022-09-04T14:38:34.627547Z",
"structure_string": "Nd16 O24\n1.0\n9.116428 -0.000000 -3.223143\n-4.558214 7.895058 -3.223143\n-0.000000 -0.000000 9.669431\nNd O\n16 24\ndirect\n0.500000 0.500000 0.500000 Nd\n0.250000 0.719541 0.469542 Nd\n0.030459 0.750000 0.780459 Nd\n0.780459 0.030459 0.750000 Nd\n0.469542 0.250000 0.719542 Nd\n0.719542 0.469541 0.250001 Nd\n0.750000 0.280459 0.530459 Nd\n0.750001 0.780459 0.030459 Nd\n0.219542 0.969542 0.250001 Nd\n0.530459 0.750000 0.280459 Nd\n0.280459 0.530459 0.750000 Nd\n0.250000 0.219541 0.969541 Nd\n0.000000 0.500000 0.000000 Nd\n0.500000 0.000000 0.000000 Nd\n0.969542 0.250000 0.219542 Nd\n0.000000 0.000000 0.500000 Nd\n0.959353 0.728716 0.987661 O\n0.540648 0.528308 0.769364 O\n0.241056 0.971692 0.512340 O\n0.730636 0.258944 0.771284 O\n0.028308 0.487661 0.758945 O\n0.987661 0.959352 0.728717 O\n0.228716 0.269364 0.741056 O\n0.271284 0.012340 0.040648 O\n0.230636 0.459352 0.471692 O\n0.459353 0.471692 0.230637 O\n0.758945 0.028308 0.487661 O\n0.269364 0.741056 0.228717 O\n0.040648 0.271284 0.012340 O\n0.258945 0.771284 0.730637 O\n0.487661 0.758945 0.028309 O\n0.012340 0.040648 0.271284 O\n0.471692 0.230636 0.459353 O\n0.971692 0.512340 0.241056 O\n0.771284 0.730636 0.258945 O\n0.728717 0.987661 0.959353 O\n0.769364 0.540648 0.528309 O\n0.528309 0.769364 0.540648 O\n0.741056 0.228716 0.269364 O\n0.512340 0.241056 0.971692 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Nd",
"O"
],
"chemical_system": "Nd-O",
"density": 6.4227383414810575,
"density_atomic": 0.05747500814369138,
"volume": 695.9546643298826,
"volume_molar": 10.477842377932761,
"formula_full": "Nd16 O24",
"formula_reduced": "Nd2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.6285447,
"spacegroup": 206
}
]
}