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=-spacegroup&page=4191",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4189",
"results": [
{
"id": "jvasp-11193",
"created_at": "2022-09-04T14:37:10.827428Z",
"updated_at": "2022-09-04T14:37:10.827449Z",
"structure_string": "K6 Ge2 S6\n1.0\n7.291231 0.010522 -1.931081\n-3.135178 6.582767 -1.931081\n0.006831 0.010836 8.169380\nK Ge S\n6 2 6\ndirect\n0.215771 0.215772 0.684239 K\n0.784228 0.784229 0.315761 K\n-0.000000 0.500000 0.000000 K\n0.500000 -0.000000 0.000000 K\n0.334556 0.665445 0.500000 K\n0.665444 0.334556 0.500000 K\n0.880324 0.880325 0.842963 Ge\n0.119675 0.119675 0.157037 Ge\n0.247597 0.948325 0.302645 S\n0.051676 0.752404 0.697356 S\n0.627888 0.627889 0.859659 S\n0.372112 0.372112 0.140341 S\n0.752403 0.051676 0.697356 S\n0.948324 0.247597 0.302644 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Ge",
"S"
],
"chemical_system": "Ge-K-S",
"density": 2.4199600255183795,
"density_atomic": 0.03565282040987947,
"volume": 392.6758062630178,
"volume_molar": 16.89106413115988,
"formula_full": "K6 Ge2 S6",
"formula_reduced": "K3GeS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.4372514214285713,
"spacegroup": 12
},
{
"id": "jvasp-30286",
"created_at": "2022-09-04T14:37:10.834565Z",
"updated_at": "2022-09-04T14:37:10.834584Z",
"structure_string": "Ti1 Co2 O6\n1.0\n5.477970 -2.819352 -0.024600\n-0.000337 -1.513376 2.474015\n-3.088542 -3.944446 -2.412381\nTi Co O\n1 2 6\ndirect\n0.332743 0.329776 0.334897 Ti\n0.995470 0.998404 0.001648 Co\n0.670237 0.661059 0.667977 Co\n-0.001613 0.496889 0.220315 O\n0.348523 0.821831 0.573059 O\n0.684360 0.153954 0.889433 O\n0.317168 0.837599 0.096744 O\n0.667232 0.162609 0.449327 O\n0.981374 0.505520 0.780188 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Co",
"O"
],
"chemical_system": "Co-O-Ti",
"density": 4.5692510650513505,
"density_atomic": 0.09462050835682669,
"volume": 95.11680032472228,
"volume_molar": 6.364519557736569,
"formula_full": "Ti1 Co2 O6",
"formula_reduced": "Ti(CoO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.0870979037037043,
"spacegroup": 12
},
{
"id": "jvasp-9706",
"created_at": "2022-09-04T14:37:10.941761Z",
"updated_at": "2022-09-04T14:37:10.941781Z",
"structure_string": "In2 Ge2 O7\n1.0\n4.954103 0.003852 -0.650274\n-0.932456 5.306081 -1.505930\n0.003583 0.008849 5.593899\nIn Ge O\n2 2 7\ndirect\n-0.000001 0.306297 0.693703 In\n-0.000001 0.693703 0.306297 In\n0.407710 0.234975 0.234976 Ge\n0.592288 0.765025 0.765025 Ge\n0.786961 0.925944 0.592110 O\n0.213037 0.407890 0.074056 O\n0.213037 0.074056 0.407890 O\n0.786961 0.592110 0.925945 O\n0.500000 -0.000000 0.000000 O\n0.271615 0.589431 0.589431 O\n0.728383 0.410569 0.410570 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"In",
"Ge",
"O"
],
"chemical_system": "Ge-In-O",
"density": 5.49464140854732,
"density_atomic": 0.07475369132433189,
"volume": 147.14992403886234,
"volume_molar": 8.055977776230334,
"formula_full": "In2 Ge2 O7",
"formula_reduced": "In2Ge2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.767047849090909,
"spacegroup": 12
},
{
"id": "jvasp-13413",
"created_at": "2022-09-04T14:37:11.453397Z",
"updated_at": "2022-09-04T14:37:11.453421Z",
"structure_string": "Th2 Ta4 O14\n1.0\n3.914222 0.000000 0.000000\n-1.957112 7.707225 -0.802993\n0.000000 -0.009571 8.425641\nTh Ta O\n2 4 14\ndirect\n0.313703 0.627406 0.333985 Th\n0.686296 0.372593 0.666015 Th\n0.071708 0.143417 0.365694 Ta\n0.928292 0.856583 0.634306 Ta\n0.109041 0.218083 0.980317 Ta\n0.890958 0.781917 0.019683 Ta\n0.831545 0.663090 0.806719 O\n0.168455 0.336909 0.193281 O\n0.802398 0.604798 0.166173 O\n0.197602 0.395202 0.833827 O\n0.987543 0.975085 0.858888 O\n0.585170 0.170340 0.389483 O\n0.414829 0.829659 0.610517 O\n0.392704 0.785409 0.065706 O\n0.607295 0.214590 0.934294 O\n0.057152 0.114303 0.608545 O\n0.942848 0.885697 0.391456 O\n0.012457 0.024915 0.141112 O\n0.195476 0.390950 0.497029 O\n0.804524 0.609049 0.502971 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Th",
"Ta",
"O"
],
"chemical_system": "O-Ta-Th",
"density": 9.224555701703157,
"density_atomic": 0.07869279221250756,
"volume": 254.15288284587223,
"volume_molar": 7.65272217528816,
"formula_full": "Th2 Ta4 O14",
"formula_reduced": "ThTa2O7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 3.69547685,
"spacegroup": 12
},
{
"id": "jvasp-12421",
"created_at": "2022-09-04T14:37:11.413010Z",
"updated_at": "2022-09-04T14:37:11.413030Z",
"structure_string": "Rb6 In2 S6\n1.0\n7.849482 0.017689 -0.857857\n-1.236694 7.373170 -3.164826\n0.012967 0.034007 8.118365\nRb In S\n6 2 6\ndirect\n0.000000 0.253611 0.746390 Rb\n0.500000 0.323839 0.676161 Rb\n0.353313 0.111586 0.111586 Rb\n0.500000 0.676161 0.323839 Rb\n0.000001 0.746390 0.253610 Rb\n0.646688 0.888415 0.888415 Rb\n0.148366 0.678191 0.678191 In\n0.851635 0.321809 0.321809 In\n0.722075 0.047949 0.347995 S\n0.819890 0.600890 0.600890 S\n0.180110 0.399110 0.399110 S\n0.277926 0.952052 0.652005 S\n0.277926 0.652006 0.952052 S\n0.722075 0.347995 0.047948 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"In",
"S"
],
"chemical_system": "In-Rb-S",
"density": 3.2958465442531217,
"density_atomic": 0.02972432348072864,
"volume": 470.99473968101273,
"volume_molar": 20.25997585413297,
"formula_full": "Rb6 In2 S6",
"formula_reduced": "Rb3InS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.2217628528571429,
"spacegroup": 12
},
{
"id": "jvasp-11527",
"created_at": "2022-09-04T14:37:11.682323Z",
"updated_at": "2022-09-04T14:37:11.682334Z",
"structure_string": "Ca2 Sn3 O8\n1.0\n5.144685 0.000203 -1.606487\n-0.940352 5.588858 -3.010718\n-0.077657 -0.170713 6.546924\nCa Sn O\n2 3 8\ndirect\n0.654541 0.719700 0.439397 Ca\n0.345457 0.280302 0.560601 Ca\n0.500000 0.999999 -0.000001 Sn\n0.999998 0.737694 -0.000001 Sn\n0.999998 0.262305 -0.000001 Sn\n0.058401 0.390733 0.781465 O\n0.941598 0.609266 0.218533 O\n0.084843 0.897357 0.794712 O\n0.915156 0.102643 0.205285 O\n0.398675 0.330946 0.220234 O\n0.398675 0.889288 0.220233 O\n0.601325 0.110711 0.779765 O\n0.601325 0.669054 0.779765 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.074659187396307,
"density_atomic": 0.07040533253618127,
"volume": 184.645104734351,
"volume_molar": 8.553529318116956,
"formula_full": "Ca2 Sn3 O8",
"formula_reduced": "Ca2Sn3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.691697664102564,
"spacegroup": 12
},
{
"id": "jvasp-57507",
"created_at": "2022-09-04T14:37:11.415660Z",
"updated_at": "2022-09-04T14:37:11.415680Z",
"structure_string": "In1 Bi2 S4 Cl1\n1.0\n3.837664 0.000000 0.922542\n1.449596 5.918915 2.413236\n0.010518 0.062259 8.399630\nIn Bi S Cl\n1 2 4 1\ndirect\n0.000000 0.000000 0.000000 In\n0.202174 0.317297 0.278356 Bi\n0.797826 0.682704 0.721644 Bi\n0.837782 0.005314 0.319122 S\n0.625626 0.693146 0.055602 S\n0.162218 0.994688 0.680878 S\n0.374375 0.306855 0.944398 S\n0.500000 0.500001 0.500000 Cl\n",
"nsites": 8,
"nelements": 4,
"elements": [
"In",
"Bi",
"S",
"Cl"
],
"chemical_system": "Bi-Cl-In-S",
"density": 6.079269224698387,
"density_atomic": 0.04205099328000297,
"volume": 190.24520887606096,
"volume_molar": 14.321042834590505,
"formula_full": "In1 Bi2 S4 Cl1",
"formula_reduced": "InBi2S4Cl",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.2308615796875,
"spacegroup": 12
},
{
"id": "jvasp-57831",
"created_at": "2022-09-04T14:37:11.520246Z",
"updated_at": "2022-09-04T14:37:11.520267Z",
"structure_string": "Nd2 Cr2 S4 O2\n1.0\n3.699127 -0.000020 -0.000035\n-1.849497 5.750920 -0.008209\n-0.000200 -0.023281 7.922552\nNd Cr S O\n2 2 4 2\ndirect\n0.734714 0.469427 0.792160 Nd\n0.265293 0.530570 0.207841 Nd\n0.000004 0.999995 -0.000001 Cr\n0.499992 0.000008 0.500000 Cr\n0.864527 0.729069 0.470842 S\n0.544149 0.088297 0.198721 S\n0.455850 0.911695 0.801278 S\n0.135465 0.270953 0.529161 S\n0.165403 0.330797 0.939435 O\n0.834603 0.669192 0.060566 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Nd",
"Cr",
"S",
"O"
],
"chemical_system": "Cr-Nd-O-S",
"density": 5.445866330658555,
"density_atomic": 0.05933362934263988,
"volume": 168.5384850175268,
"volume_molar": 10.149624802526976,
"formula_full": "Nd2 Cr2 S4 O2",
"formula_reduced": "NdCrS2O",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.28122848,
"spacegroup": 12
},
{
"id": "jvasp-29563",
"created_at": "2022-09-04T14:37:11.835417Z",
"updated_at": "2022-09-04T14:37:11.835448Z",
"structure_string": "Cu1 B2 C8 N8\n1.0\n5.914412 -0.028383 -0.324272\n-0.162841 6.377727 -3.528320\n-0.059248 -0.011862 7.513343\nCu B C N\n1 2 8 8\ndirect\n0.500000 0.000000 0.000000 Cu\n0.134982 0.333755 0.667508 B\n0.865018 0.666246 0.332492 B\n0.131385 0.661586 0.323171 C\n0.240404 0.212164 0.778715 C\n0.198698 0.218699 0.437398 C\n0.759595 0.433450 0.221285 C\n0.868615 0.338415 0.676829 C\n0.801301 0.781302 0.562602 C\n0.240404 0.566552 0.778715 C\n0.759595 0.787837 0.221286 C\n0.318240 0.735323 0.857981 N\n0.672922 0.340444 0.680888 N\n0.757045 0.865879 0.731759 N\n0.318240 0.122660 0.857981 N\n0.681760 0.877341 0.142019 N\n0.242955 0.134122 0.268241 N\n0.681760 0.264679 0.142019 N\n0.327079 0.659557 0.319113 N\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Cu",
"B",
"C",
"N"
],
"chemical_system": "B-C-Cu-N",
"density": 1.7210438022198116,
"density_atomic": 0.06713881986491473,
"volume": 282.99573984512324,
"volume_molar": 8.969685156987751,
"formula_full": "Cu1 B2 C8 N8",
"formula_reduced": "CuB2(CN)8",
"formula_anonymous": "AB2C8D8",
"energy_above_hull": 6.522006927192982,
"spacegroup": 12
},
{
"id": "jvasp-22636",
"created_at": "2022-09-04T14:37:11.850956Z",
"updated_at": "2022-09-04T14:37:11.850964Z",
"structure_string": "Rb2 Sb4\n1.0\n4.220502 -0.000000 -0.000000\n-2.110250 6.741338 -1.744395\n-0.000000 0.016095 8.589706\nRb Sb\n2 4\ndirect\n0.835544 0.671089 0.301438 Rb\n0.164456 0.328912 0.698562 Rb\n0.565998 0.131997 0.318119 Sb\n0.902289 0.804578 0.891572 Sb\n0.097711 0.195423 0.108428 Sb\n0.434002 0.868004 0.681881 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Rb",
"Sb"
],
"chemical_system": "Rb-Sb",
"density": 4.468480378393291,
"density_atomic": 0.024538737756793955,
"volume": 244.5113542296527,
"volume_molar": 24.54136320981983,
"formula_full": "Rb2 Sb4",
"formula_reduced": "RbSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7446011666666668,
"spacegroup": 12
},
{
"id": "jvasp-12965",
"created_at": "2022-09-04T14:37:12.037642Z",
"updated_at": "2022-09-04T14:37:12.037666Z",
"structure_string": "Mn6 As4\n1.0\n3.364679 -0.000039 0.925135\n1.528059 6.379667 1.023564\n-0.040438 0.064427 6.729845\nMn As\n6 4\ndirect\n0.693791 0.934449 0.677988 Mn\n0.306208 0.065552 0.322012 Mn\n0.604510 0.699890 0.091102 Mn\n0.395490 0.300111 0.908899 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.938501 0.775713 0.347282 As\n0.061498 0.224288 0.652719 As\n0.750348 0.321375 0.177925 As\n0.249651 0.678625 0.822075 As\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mn",
"As"
],
"chemical_system": "As-Mn",
"density": 7.228445129146432,
"density_atomic": 0.06917161816472431,
"volume": 144.56796393263696,
"volume_molar": 8.70608628188943,
"formula_full": "Mn6 As4",
"formula_reduced": "Mn3As2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.681093044827586,
"spacegroup": 12
},
{
"id": "jvasp-85253",
"created_at": "2022-09-04T14:37:11.961830Z",
"updated_at": "2022-09-04T14:37:11.961850Z",
"structure_string": "In2 Bi4 Se8 Br2\n1.0\n4.098875 -0.000000 0.728464\n1.298619 9.598504 4.588885\n0.022010 -0.013892 11.772019\nIn Bi Se Br\n2 4 8 2\ndirect\n0.161890 0.111079 0.565142 In\n0.838112 0.888921 0.434859 In\n0.797397 0.303099 0.102109 Bi\n0.202604 0.696901 0.897891 Bi\n0.549515 0.667349 0.233623 Bi\n0.450486 0.332651 0.766377 Bi\n0.038871 0.140077 0.782181 Se\n0.822513 0.501353 0.853624 Se\n0.283393 0.086532 0.346683 Se\n0.404809 0.166372 0.024011 Se\n0.595192 0.833628 0.975989 Se\n0.177488 0.498647 0.146377 Se\n0.961130 0.859923 0.217819 Se\n0.716608 0.913467 0.653318 Se\n0.600978 0.330548 0.467498 Br\n0.399024 0.669452 0.532502 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"In",
"Bi",
"Se",
"Br"
],
"chemical_system": "Bi-Br-In-Se",
"density": 6.656778537967568,
"density_atomic": 0.03453921207116618,
"volume": 463.24160397848294,
"volume_molar": 17.435663406541252,
"formula_full": "In2 Bi4 Se8 Br2",
"formula_reduced": "InBi2Se4Br",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.9262770177083332,
"spacegroup": 12
}
]
}