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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1068",
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"results": [
{
"id": "jvasp-12966",
"created_at": "2022-09-04T14:37:09.079041Z",
"updated_at": "2022-09-04T14:37:09.079061Z",
"structure_string": "Tl10 Se4 Br2\n1.0\n7.609811 -0.000000 -4.244614\n-2.367568 7.232140 -4.244614\n0.033902 0.046769 9.004580\nTl Se Br\n10 4 2\ndirect\n0.207106 0.002298 0.709404 Tl\n0.002297 0.502298 0.709404 Tl\n0.707106 0.207106 0.709404 Tl\n-0.002298 0.497703 0.290597 Tl\n0.502297 0.707106 0.709404 Tl\n0.792894 -0.002298 0.290597 Tl\n0.497702 0.292894 0.290597 Tl\n0.292894 0.792894 0.290597 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Tl\n0.657360 0.157360 0.000000 Se\n0.842640 0.657360 0.000001 Se\n0.157360 0.342640 0.000000 Se\n0.342640 0.842640 0.000000 Se\n0.750000 0.750000 0.500001 Br\n0.250000 0.250000 0.500000 Br\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Br"
],
"chemical_system": "Br-Se-Tl",
"density": 8.39104909367722,
"density_atomic": 0.03209046865360442,
"volume": 498.5904123965753,
"volume_molar": 18.766135281491408,
"formula_full": "Tl10 Se4 Br2",
"formula_reduced": "Tl5Se2Br",
"formula_anonymous": "AB2C5",
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"spacegroup": 140
},
{
"id": "jvasp-13266",
"created_at": "2022-09-04T14:37:45.129034Z",
"updated_at": "2022-09-04T14:37:45.129053Z",
"structure_string": "Tl9 Sb1 Te6\n1.0\n8.924735 0.000842 -0.002199\n-0.000881 8.924807 -0.002512\n-4.460291 -4.460910 6.695643\nTl Sb Te\n9 1 6\ndirect\n0.010919 0.803009 0.301438 Tl\n0.482246 0.980238 0.667955 Tl\n0.995111 0.995118 0.990258 Tl\n0.185721 0.687732 0.667944 Tl\n0.290535 0.498451 0.301449 Tl\n0.803019 0.290522 0.301451 Tl\n0.687729 0.482223 0.667943 Tl\n0.980204 0.185700 0.667952 Tl\n0.498412 0.010906 0.301407 Tl\n0.500435 0.500435 0.000881 Sb\n0.725543 0.725544 0.451094 Te\n0.642461 0.815825 0.984952 Te\n0.169127 0.642443 0.984936 Te\n0.250101 0.250097 0.500188 Te\n0.815839 0.342518 0.984985 Te\n0.342502 0.169139 0.984963 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"Te"
],
"chemical_system": "Sb-Te-Tl",
"density": 8.493177877872714,
"density_atomic": 0.03001140135181002,
"volume": 533.1307196368231,
"volume_molar": 20.06617648208153,
"formula_full": "Tl9 Sb1 Te6",
"formula_reduced": "Tl9SbTe6",
"formula_anonymous": "AB6C9",
"energy_above_hull": 0.0834866312500001,
"spacegroup": 79
},
{
"id": "jvasp-8063",
"created_at": "2022-09-04T14:36:38.842343Z",
"updated_at": "2022-09-04T14:36:38.842362Z",
"structure_string": "Tl1 Sb1 Te2\n1.0\n4.321706 -0.001916 7.074863\n1.988457 3.837080 7.074863\n-0.003152 -0.001916 8.290405\nTl Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500002 0.499999 0.499999 Sb\n0.240215 0.240213 0.240213 Te\n0.759788 0.759784 0.759784 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"Te"
],
"chemical_system": "Sb-Te-Tl",
"density": 7.014231052650638,
"density_atomic": 0.02906419441787501,
"volume": 137.62638463290511,
"volume_molar": 20.720136513731386,
"formula_full": "Tl1 Sb1 Te2",
"formula_reduced": "TlSbTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6394085583333334,
"spacegroup": 166
},
{
"id": "jvasp-78941",
"created_at": "2022-09-04T14:37:01.982481Z",
"updated_at": "2022-09-04T14:37:01.982500Z",
"structure_string": "Tl1 Sb1 Te2\n1.0\n10.314787 4.793402 32.035701\n1.284679 2.202096 9.058772\n-6.154285 -4.318336 -15.409345\nTl Sb Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n-0.000001 0.500000 -0.000001 Sb\n0.519771 0.200175 -0.000000 Te\n0.480230 -0.200178 0.000000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"Te"
],
"chemical_system": "Sb-Te-Tl",
"density": 7.0164036439168855,
"density_atomic": 0.029073196775293634,
"volume": 137.58376937066635,
"volume_molar": 20.713720636038232,
"formula_full": "Tl1 Sb1 Te2",
"formula_reduced": "TlSbTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6400560583333335,
"spacegroup": 166
},
{
"id": "jvasp-21252",
"created_at": "2022-09-04T14:38:36.248528Z",
"updated_at": "2022-09-04T14:38:36.248556Z",
"structure_string": "Tl12 Sb4 Se12\n1.0\n9.549086 -0.000000 -0.000000\n-0.000000 9.549086 -0.000000\n-0.000000 -0.000000 9.549086\nTl Sb Se\n12 4 12\ndirect\n0.692663 0.807338 0.192662 Tl\n0.807338 0.192662 0.692663 Tl\n0.192662 0.692663 0.807338 Tl\n0.307338 0.307338 0.307338 Tl\n0.447613 0.052388 0.947613 Tl\n0.052388 0.947613 0.447613 Tl\n0.947613 0.447613 0.052388 Tl\n0.552388 0.552388 0.552388 Tl\n0.910615 0.589386 0.410615 Tl\n0.589386 0.410615 0.910615 Tl\n0.410615 0.910615 0.589386 Tl\n0.089385 0.089385 0.089385 Tl\n0.198443 0.301558 0.698443 Sb\n0.301558 0.698443 0.198443 Sb\n0.698443 0.198443 0.301558 Sb\n0.801558 0.801558 0.801558 Sb\n0.893689 0.549589 0.738105 Se\n0.393689 0.950412 0.261895 Se\n0.106311 0.049589 0.761896 Se\n0.950412 0.261895 0.393689 Se\n0.761896 0.106311 0.049589 Se\n0.261895 0.393689 0.950412 Se\n0.549589 0.738105 0.893689 Se\n0.738105 0.893689 0.549589 Se\n0.049589 0.761896 0.106311 Se\n0.450411 0.238105 0.606311 Se\n0.238105 0.606311 0.450411 Se\n0.606311 0.450411 0.238105 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Sb",
"Se"
],
"chemical_system": "Sb-Se-Tl",
"density": 7.413035089722017,
"density_atomic": 0.03215678466012752,
"volume": 870.733821678332,
"volume_molar": 18.727434423713053,
"formula_full": "Tl12 Sb4 Se12",
"formula_reduced": "Tl3SbSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.5750891428571427,
"spacegroup": 198
},
{
"id": "jvasp-4960",
"created_at": "2022-09-04T14:38:15.889698Z",
"updated_at": "2022-09-04T14:38:15.889715Z",
"structure_string": "Tl2 Sb2 Se4\n1.0\n4.410185 0.000000 0.000000\n0.000000 14.800399 0.000000\n0.000000 0.000000 4.108151\nTl Sb Se\n2 2 4\ndirect\n0.500001 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.000000 Sb\n0.500001 0.213137 0.500000 Se\n0.000000 0.286863 0.500000 Se\n0.000000 0.713137 0.500000 Se\n0.500001 0.786863 0.500000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"Se"
],
"chemical_system": "Sb-Se-Tl",
"density": 5.99521304475448,
"density_atomic": 0.02983412859778994,
"volume": 268.1492765500993,
"volume_molar": 20.185408600960816,
"formula_full": "Tl2 Sb2 Se4",
"formula_reduced": "TlSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0265188583333336,
"spacegroup": 65
},
{
"id": "jvasp-56763",
"created_at": "2022-09-04T14:37:08.851801Z",
"updated_at": "2022-09-04T14:37:08.851811Z",
"structure_string": "Tl4 Sb4 Se8\n1.0\n0.000000 9.241932 -0.000320\n4.146437 0.000000 0.000000\n0.000000 -4.312454 -12.090889\nTl Sb Se\n4 4 8\ndirect\n0.682783 0.246627 0.138784 Tl\n0.055335 0.241412 0.359360 Tl\n0.317218 0.746627 0.861216 Tl\n0.944665 0.741412 0.640640 Tl\n0.184854 0.246990 0.110255 Sb\n0.815146 0.746991 0.889745 Sb\n0.580272 0.240004 0.388891 Sb\n0.419728 0.740005 0.611109 Sb\n0.061025 0.245971 0.893471 Se\n0.345384 0.742199 0.393826 Se\n0.654616 0.242199 0.606174 Se\n0.790368 0.742180 0.388804 Se\n0.392857 0.746318 0.118559 Se\n0.209632 0.242179 0.611196 Se\n0.938975 0.745972 0.106529 Se\n0.607143 0.246318 0.881441 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"Se"
],
"chemical_system": "Sb-Se-Tl",
"density": 6.939206450731914,
"density_atomic": 0.034531746590538,
"volume": 463.34175301703795,
"volume_molar": 17.439432854085982,
"formula_full": "Tl4 Sb4 Se8",
"formula_reduced": "TlSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8475138583333335,
"spacegroup": 11
},
{
"id": "jvasp-17524",
"created_at": "2022-09-04T14:38:31.577302Z",
"updated_at": "2022-09-04T14:38:31.577324Z",
"structure_string": "Tl2 Sb2 Se4\n1.0\n4.410185 0.000000 -0.000000\n0.000000 14.800399 0.000000\n-0.000000 0.000000 4.108151\nTl Sb Se\n2 2 4\ndirect\n0.500001 0.000000 0.500000 Tl\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500000 0.000000 Sb\n0.500001 0.213137 0.500000 Se\n0.500001 0.786863 0.500000 Se\n0.000000 0.713137 0.500000 Se\n0.000000 0.286863 0.500000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Sb",
"Se"
],
"chemical_system": "Sb-Se-Tl",
"density": 5.99521304475448,
"density_atomic": 0.02983412859778994,
"volume": 268.1492765500993,
"volume_molar": 20.185408600960816,
"formula_full": "Tl2 Sb2 Se4",
"formula_reduced": "TlSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0265188583333336,
"spacegroup": 65
},
{
"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": [
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"Sb",
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],
"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
},
{
"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",
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"formula_full": "Tl4 Sb12 S20",
"formula_reduced": "TlSb3S5",
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"spacegroup": 14
},
{
"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,
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"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-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,
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"formula_full": "Tl4 Sb4 S8",
"formula_reduced": "TlSbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.087024675,
"spacegroup": 2
}
]
}