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=elements&page=3577",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=3575",
"results": [
{
"id": "jvasp-115323",
"created_at": "2022-09-04T14:38:46.416498Z",
"updated_at": "2022-09-04T14:38:46.416527Z",
"structure_string": "Tl1 S1 O1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nTl S O\n1 1 1\ndirect\n-0.023770 0.336068 0.000000 Tl\n0.271484 -0.031721 0.000000 S\n-0.057156 -0.049656 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"S",
"O"
],
"chemical_system": "O-S-Tl",
"density": 2.0980297232939575,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "Tl1 S1 O1",
"formula_reduced": "TlSO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2877253666666668,
"spacegroup": 6
},
{
"id": "jvasp-115326",
"created_at": "2022-09-04T14:38:46.436439Z",
"updated_at": "2022-09-04T14:38:46.436473Z",
"structure_string": "Tl2 S1 O2\n1.0\n3.809644 0.000000 -0.000000\n-1.904822 3.299249 0.000000\n-0.000000 -0.000000 6.775522\nTl S O\n2 1 2\ndirect\n0.666667 0.333333 0.774627 Tl\n0.333333 0.666666 0.225373 Tl\n0.000000 0.000000 0.500000 S\n0.666667 0.333333 0.131673 O\n0.333333 0.666666 0.868328 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"S",
"O"
],
"chemical_system": "O-S-Tl",
"density": 9.219603435934138,
"density_atomic": 0.0587121192522331,
"volume": 85.16129316537703,
"volume_molar": 10.25706589491053,
"formula_full": "Tl2 S1 O2",
"formula_reduced": "Tl2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.0569284399999996,
"spacegroup": 164
},
{
"id": "jvasp-2796",
"created_at": "2022-09-04T14:36:46.793588Z",
"updated_at": "2022-09-04T14:36:46.793599Z",
"structure_string": "Tl1 Sb1 F6\n1.0\n5.129543 -0.070141 -0.601860\n-0.668433 5.086289 -0.601860\n-0.062379 -0.070141 5.164354\nTl Sb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Sb\n0.762917 0.762917 0.416864 F\n0.762917 0.416865 0.762916 F\n0.237083 0.583135 0.237083 F\n0.237083 0.237083 0.583135 F\n0.583135 0.237083 0.237083 F\n0.416865 0.762917 0.762916 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"F"
],
"chemical_system": "F-Sb-Tl",
"density": 5.4517623477065555,
"density_atomic": 0.05967510113785935,
"volume": 134.05926169305818,
"volume_molar": 10.091546801215904,
"formula_full": "Tl1 Sb1 F6",
"formula_reduced": "TlSbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-29505",
"created_at": "2022-09-04T14:36:43.481133Z",
"updated_at": "2022-09-04T14:36:43.481155Z",
"structure_string": "Tl4 Sb4 O12\n1.0\n5.411174 0.000000 -0.000000\n-2.705587 4.686215 0.000000\n-0.000000 0.000000 14.143756\nTl Sb O\n4 4 12\ndirect\n0.666666 0.333333 0.062899 Tl\n0.666666 0.333333 0.437101 Tl\n0.333332 0.666666 0.562899 Tl\n0.333332 0.666666 0.937101 Tl\n0.333332 0.666666 0.250000 Sb\n0.000000 0.000000 0.250000 Sb\n0.666666 0.333333 0.750000 Sb\n0.000000 0.000000 0.750000 Sb\n0.283469 0.950151 0.170264 O\n0.716529 0.666683 0.829736 O\n0.716529 0.049848 0.670264 O\n0.333316 0.283470 0.670264 O\n0.049847 0.716529 0.329736 O\n0.950151 0.283470 0.829736 O\n0.666682 0.716529 0.170264 O\n0.950151 0.666683 0.670264 O\n0.283469 0.333316 0.329736 O\n0.333316 0.049848 0.829736 O\n0.049847 0.333316 0.170264 O\n0.666682 0.950151 0.329736 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tl",
"density": 6.9289353201046415,
"density_atomic": 0.05576369345424897,
"volume": 358.65630056246,
"volume_molar": 10.799393632240006,
"formula_full": "Tl4 Sb4 O12",
"formula_reduced": "TlSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4750958399999998,
"spacegroup": 182
},
{
"id": "jvasp-5752",
"created_at": "2022-09-04T14:38:11.394645Z",
"updated_at": "2022-09-04T14:38:11.394671Z",
"structure_string": "Tl2 Sb2 O6\n1.0\n5.009474 -0.049637 5.897459\n2.132519 4.533169 5.897462\n-0.079072 -0.049644 7.737480\nTl Sb O\n2 2 6\ndirect\n0.624626 0.624627 0.624626 Tl\n0.375373 0.375374 0.375373 Tl\n0.833598 0.833599 0.833598 Sb\n0.166401 0.166402 0.166401 Sb\n0.829912 0.447270 0.063504 O\n0.447270 0.063504 0.829912 O\n0.063504 0.829913 0.447269 O\n0.170087 0.552731 0.936495 O\n0.936496 0.170087 0.552730 O\n0.552730 0.936496 0.170087 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tl",
"density": 6.922023232829099,
"density_atomic": 0.05570806535293822,
"volume": 179.50722102167865,
"volume_molar": 10.810177524289799,
"formula_full": "Tl2 Sb2 O6",
"formula_reduced": "TlSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.47509984,
"spacegroup": 148
},
{
"id": "jvasp-29446",
"created_at": "2022-09-04T14:38:03.624141Z",
"updated_at": "2022-09-04T14:38:03.624180Z",
"structure_string": "Tl4 Sb4 O12\n1.0\n5.410629 0.000000 0.000000\n-2.705314 4.685742 -0.000000\n0.000000 -0.000000 14.171581\nTl Sb O\n4 4 12\ndirect\n0.666667 0.333333 0.936761 Tl\n0.333333 0.666667 0.436761 Tl\n0.333333 0.666667 0.063239 Tl\n0.666667 0.333333 0.563239 Tl\n0.666667 0.333333 0.250000 Sb\n0.000000 0.000000 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n0.000000 0.000000 0.750000 Sb\n0.666680 0.950173 0.829587 O\n0.333321 0.283494 0.329587 O\n0.049827 0.716506 0.829587 O\n0.666680 0.716506 0.670413 O\n0.333321 0.049826 0.170413 O\n0.716506 0.049826 0.329587 O\n0.049827 0.333320 0.670413 O\n0.716507 0.666679 0.170413 O\n0.950174 0.666679 0.329587 O\n0.283494 0.333320 0.829587 O\n0.950174 0.283494 0.170413 O\n0.283495 0.950173 0.670413 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tl",
"density": 6.916725495484132,
"density_atomic": 0.05566542945179932,
"volume": 359.28942248290736,
"volume_molar": 10.818457378855886,
"formula_full": "Tl4 Sb4 O12",
"formula_reduced": "TlSbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4751038399999998,
"spacegroup": 163
},
{
"id": "jvasp-53106",
"created_at": "2022-09-04T14:37:58.307441Z",
"updated_at": "2022-09-04T14:37:58.307466Z",
"structure_string": "Tl2 Sb2 S4\n1.0\n-6.191077 -0.205568 0.267248\n-0.345549 -6.186168 -0.251516\n2.251324 3.019072 5.903122\nTl Sb S\n2 2 4\ndirect\n0.003203 0.012846 0.982064 Tl\n0.746295 0.238163 0.524045 Tl\n0.471972 0.512129 -0.009680 Sb\n0.277496 0.738905 0.515775 Sb\n0.095993 0.560369 0.068033 S\n0.653482 0.690658 0.438066 S\n0.524380 0.906109 0.998911 S\n0.225108 0.344927 0.507191 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"S"
],
"chemical_system": "S-Sb-Tl",
"density": 5.772807386372875,
"density_atomic": 0.03563109100532277,
"volume": 224.52301555416634,
"volume_molar": 16.90136504408574,
"formula_full": "Tl2 Sb2 S4",
"formula_reduced": "TlSbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.090874675,
"spacegroup": 2
},
{
"id": "jvasp-12884",
"created_at": "2022-09-04T14:36:34.992399Z",
"updated_at": "2022-09-04T14:36:34.992423Z",
"structure_string": "Tl4 Sb4 S8\n1.0\n6.178250 -0.010198 -0.006297\n-1.654221 6.244008 -0.074434\n-1.450645 -2.912623 11.460346\nTl Sb S\n4 4 8\ndirect\n0.897548 0.717893 0.081087 Tl\n0.102451 0.282108 0.918914 Tl\n0.432048 0.694915 0.334164 Tl\n0.567951 0.305086 0.665836 Tl\n0.603164 0.216318 0.160125 Sb\n0.043811 0.213799 0.409704 Sb\n0.396836 0.783682 0.839876 Sb\n0.956188 0.786201 0.590296 Sb\n0.021345 0.190852 0.639684 S\n0.978654 0.809149 0.360317 S\n0.362471 0.777058 0.614906 S\n0.637529 0.222942 0.385095 S\n-0.012703 0.779419 0.824060 S\n0.417587 0.816197 0.094326 S\n0.582413 0.183804 0.905674 S\n0.012703 0.220582 0.175941 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"S"
],
"chemical_system": "S-Sb-Tl",
"density": 5.885004462097675,
"density_atomic": 0.036323597085660436,
"volume": 440.48500929761616,
"volume_molar": 16.57914205412596,
"formula_full": "Tl4 Sb4 S8",
"formula_reduced": "TlSbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.087024675,
"spacegroup": 2
},
{
"id": "jvasp-10242",
"created_at": "2022-09-04T14:37:32.519502Z",
"updated_at": "2022-09-04T14:37:32.519527Z",
"structure_string": "Tl6 Sb2 S8\n1.0\n6.330501 0.114263 -0.015890\n-1.662343 6.177237 -0.015775\n-1.823724 -1.631005 11.591397\nTl Sb S\n6 2 8\ndirect\n0.496955 0.523416 0.494609 Tl\n0.216198 0.682202 0.201396 Tl\n0.040228 0.969432 0.484170 Tl\n0.977854 -0.006635 -0.000200 Tl\n0.321025 0.810678 0.777387 Tl\n0.559375 0.499553 0.978977 Tl\n0.832026 0.275807 0.732044 Sb\n0.705185 0.217080 0.246731 Sb\n0.078977 0.196558 0.262771 S\n0.545545 0.040007 0.392852 S\n0.832603 0.903053 0.715296 S\n0.458249 0.296320 0.716002 S\n-0.008331 0.452884 0.585924 S\n0.505827 0.045128 0.057346 S\n0.704611 0.589846 0.263475 S\n0.031379 0.447763 0.921420 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"S"
],
"chemical_system": "S-Sb-Tl",
"density": 6.298932397818693,
"density_atomic": 0.03515697899150315,
"volume": 455.10167423278693,
"volume_molar": 17.129289639634425,
"formula_full": "Tl6 Sb2 S8",
"formula_reduced": "Tl3SbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.0135342375,
"spacegroup": 2
},
{
"id": "jvasp-87961",
"created_at": "2022-09-04T14:36:03.990462Z",
"updated_at": "2022-09-04T14:36:03.990489Z",
"structure_string": "Tl4 Sb12 S20\n1.0\n7.281411 0.071171 0.000000\n-3.521846 8.206552 0.000000\n0.000000 0.000000 15.827501\nTl Sb S\n4 12 20\ndirect\n0.984423 0.960909 0.764888 Tl\n0.984424 0.460909 0.735112 Tl\n0.015575 0.539090 0.264888 Tl\n0.015576 0.039090 0.235112 Tl\n0.470239 0.607770 0.902818 Sb\n0.529760 0.892230 0.402818 Sb\n0.529760 0.392230 0.097182 Sb\n0.470239 0.107770 0.597182 Sb\n0.003815 0.723725 0.994715 Sb\n0.996184 0.276275 0.005285 Sb\n0.003815 0.223725 0.505285 Sb\n0.499812 0.574555 0.627070 Sb\n0.500187 0.925445 0.127071 Sb\n0.500187 0.425445 0.372929 Sb\n0.499812 0.074555 0.872929 Sb\n0.996184 0.776275 0.494715 Sb\n0.717048 0.235863 0.157679 S\n0.282952 0.264136 0.657679 S\n0.676086 0.112328 0.731229 S\n0.778141 0.895496 0.563045 S\n0.323914 0.387672 0.231229 S\n0.323913 0.887671 0.268771 S\n0.676085 0.612328 0.768771 S\n0.218606 0.329462 0.872494 S\n0.781394 0.170538 0.372494 S\n0.781393 0.670538 0.127506 S\n0.282952 0.764136 0.842321 S\n0.218605 0.829462 0.627506 S\n0.252388 0.010011 0.052919 S\n0.252387 0.510011 0.447081 S\n0.747611 0.989989 0.947081 S\n0.778141 0.395496 0.936955 S\n0.221858 0.104504 0.436955 S\n0.221858 0.604504 0.063045 S\n0.747612 0.489989 0.552919 S\n0.717047 0.735863 0.342321 S\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"S"
],
"chemical_system": "S-Sb-Tl",
"density": 5.105266976147966,
"density_atomic": 0.03790495371299866,
"volume": 949.7439377601615,
"volume_molar": 15.887476886523256,
"formula_full": "Tl4 Sb12 S20",
"formula_reduced": "TlSb3S5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.755618988888889,
"spacegroup": 14
},
{
"id": "jvasp-102242",
"created_at": "2022-09-04T14:36:42.685599Z",
"updated_at": "2022-09-04T14:36:42.685615Z",
"structure_string": "Tl2 Sb2 S4\n1.0\n6.826934 -0.000000 4.727586\n3.447496 4.152022 9.607711\n0.034028 -0.000000 7.243918\nTl Sb S\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.500000 0.000001 Tl\n0.500000 0.000000 0.000001 Sb\n0.250000 0.500000 0.000000 Sb\n0.019812 0.500000 0.460378 S\n0.730188 0.000000 0.539623 S\n0.480189 0.500000 0.539622 S\n0.269811 0.000000 0.460379 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"S"
],
"chemical_system": "S-Sb-Tl",
"density": 6.332921379781412,
"density_atomic": 0.03908824301763577,
"volume": 204.66512133560397,
"volume_molar": 15.406527116818578,
"formula_full": "Tl2 Sb2 S4",
"formula_reduced": "TlSbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.117369675,
"spacegroup": 141
},
{
"id": "jvasp-2802",
"created_at": "2022-09-04T14:36:48.850632Z",
"updated_at": "2022-09-04T14:36:48.850659Z",
"structure_string": "Tl3 Sb1 S3\n1.0\n5.900258 0.011398 -1.518571\n-1.961577 5.564655 -1.518571\n0.008051 0.011398 6.092539\nTl Sb S\n3 1 3\ndirect\n0.556915 0.556915 0.172234 Tl\n0.556915 0.172234 0.556915 Tl\n0.172233 0.556915 0.556915 Tl\n0.997609 0.997610 0.997609 Sb\n0.577960 0.968936 0.968935 S\n0.968935 0.968936 0.577961 S\n0.968935 0.577962 0.968935 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"S"
],
"chemical_system": "S-Sb-Tl",
"density": 6.887465291507468,
"density_atomic": 0.034934338415745406,
"volume": 200.3759142850978,
"volume_molar": 17.23845658197934,
"formula_full": "Tl3 Sb1 S3",
"formula_reduced": "Tl3SbS3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.817544842857143,
"spacegroup": 160
}
]
}