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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4584",
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"results": [
{
"id": "jvasp-90471",
"created_at": "2022-09-04T14:35:54.600377Z",
"updated_at": "2022-09-04T14:35:54.600397Z",
"structure_string": "Sr4 Zn4\n1.0\n4.681224 0.000000 0.000000\n-0.000000 6.266820 0.000000\n0.000000 0.000000 8.448737\nSr Zn\n4 4\ndirect\n0.250000 0.379403 0.679549 Sr\n0.749999 0.620597 0.320452 Sr\n0.749999 0.879403 0.820452 Sr\n0.250000 0.120597 0.179548 Sr\n0.250000 0.892113 0.529343 Zn\n0.749999 0.107887 0.470658 Zn\n0.749999 0.392113 0.970658 Zn\n0.250000 0.607887 0.029343 Zn\n",
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{
"id": "jvasp-51173",
"created_at": "2022-09-04T14:36:59.119737Z",
"updated_at": "2022-09-04T14:36:59.119768Z",
"structure_string": "Sr1 Zr1 Zn1\n1.0\n0.000000 3.467157 3.467157\n3.467157 0.000000 3.467157\n3.467157 3.467157 0.000000\nSr Zr Zn\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Zr\n0.500000 0.500000 0.500000 Zn\n",
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{
"id": "jvasp-4285",
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"updated_at": "2022-09-04T14:38:02.159019Z",
"structure_string": "Sb8 S12\n1.0\n3.889911 0.000000 0.000000\n0.000000 11.199032 0.000000\n0.000000 0.000000 11.472339\nSb S\n8 12\ndirect\n0.750000 0.964672 0.349747 Sb\n0.250000 0.035328 0.650253 Sb\n0.250000 0.464672 0.150253 Sb\n0.750000 0.535328 0.849747 Sb\n0.250000 0.673232 0.474348 Sb\n0.750000 0.326768 0.525653 Sb\n0.750000 0.173232 0.025652 Sb\n0.250000 0.826768 0.974348 Sb\n0.750000 0.307923 0.207929 S\n0.250000 0.692076 0.792071 S\n0.750000 0.625150 0.049795 S\n0.250000 0.374849 0.950205 S\n0.250000 0.125150 0.450205 S\n0.250000 0.440665 0.624157 S\n0.750000 0.940664 0.875843 S\n0.250000 0.059335 0.124157 S\n0.750000 0.192077 0.707929 S\n0.750000 0.559335 0.375843 S\n0.750000 0.874849 0.549795 S\n0.250000 0.807923 0.292071 S\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.514936952093696,
"density_atomic": 0.04001822977706276,
"volume": 499.7722315908985,
"volume_molar": 15.048493632898548,
"formula_full": "Sb8 S12",
"formula_reduced": "Sb2S3",
"formula_anonymous": "A2B3",
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"spacegroup": 62
},
{
"id": "jvasp-79582",
"created_at": "2022-09-04T14:37:12.589113Z",
"updated_at": "2022-09-04T14:37:12.589123Z",
"structure_string": "Sb2 S2\n1.0\n2.704086 -3.034872 0.100933\n-3.168137 -2.889360 -2.016785\n-2.332104 -2.325504 -7.653739\nSb S\n2 2\ndirect\n0.750155 0.106714 0.653363 Sb\n0.249845 0.893284 0.346638 Sb\n0.250272 0.569591 0.755724 S\n0.749728 0.430407 0.244276 S\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.797020484301083,
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"volume": 106.49628149626757,
"volume_molar": 16.03338993967767,
"formula_full": "Sb2 S2",
"formula_reduced": "SbS",
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"energy_above_hull": 1.1078980500000002,
"spacegroup": 11
},
{
"id": "jvasp-8396",
"created_at": "2022-09-04T14:37:06.591155Z",
"updated_at": "2022-09-04T14:37:06.591182Z",
"structure_string": "Sb2 S4\n1.0\n4.906272 -0.000000 -2.231425\n-1.014875 4.800158 -2.231425\n0.238424 0.294102 7.033689\nSb S\n2 4\ndirect\n0.250000 0.750000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.837663 0.875000 0.250000 S\n0.624999 0.162337 0.750000 S\n0.412337 0.375000 0.250000 S\n0.125000 0.587663 0.750000 S\n",
"nsites": 6,
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"elements": [
"Sb",
"S"
],
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"density": 3.58741348272301,
"density_atomic": 0.03486563392018772,
"volume": 172.0892272813635,
"volume_molar": 17.272425832800053,
"formula_full": "Sb2 S4",
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"spacegroup": 122
},
{
"id": "jvasp-19010",
"created_at": "2022-09-04T14:37:07.723870Z",
"updated_at": "2022-09-04T14:37:07.723900Z",
"structure_string": "Sb8 S12\n1.0\n3.889722 0.000000 0.000000\n0.000000 11.198930 0.000000\n0.000000 0.000000 11.472696\nSb S\n8 12\ndirect\n0.750000 0.464686 0.849747 Sb\n0.250000 0.535314 0.150253 Sb\n0.250000 0.964686 0.650253 Sb\n0.750000 0.035314 0.349747 Sb\n0.250000 0.173237 0.974329 Sb\n0.750000 0.826763 0.025672 Sb\n0.750000 0.673237 0.525672 Sb\n0.250000 0.326763 0.474329 Sb\n0.750000 0.807931 0.707934 S\n0.250000 0.192069 0.292066 S\n0.750000 0.125154 0.549791 S\n0.250000 0.874846 0.450210 S\n0.250000 0.625154 0.950210 S\n0.250000 0.940666 0.124163 S\n0.750000 0.440666 0.375837 S\n0.250000 0.559334 0.624163 S\n0.750000 0.692069 0.207934 S\n0.750000 0.059334 0.875838 S\n0.750000 0.374846 0.049790 S\n0.250000 0.307931 0.792066 S\n",
"nsites": 20,
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"density": 4.515056954114765,
"density_atomic": 0.04001929341726501,
"volume": 499.7589485518417,
"volume_molar": 15.048093671243942,
"formula_full": "Sb8 S12",
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"formula_anonymous": "A2B3",
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"spacegroup": 62
},
{
"id": "jvasp-119151",
"created_at": "2022-09-04T14:38:35.649070Z",
"updated_at": "2022-09-04T14:38:35.649087Z",
"structure_string": "Sb8 Se6 S6\n1.0\n3.968504 -0.000000 0.000000\n0.000000 11.394474 0.000000\n0.000000 -0.000000 11.661660\nSb Se S\n8 6 6\ndirect\n0.500000 0.205663 0.651850 Sb\n0.500000 0.794336 0.151850 Sb\n-0.000000 0.291226 0.346843 Sb\n-0.000000 0.708773 0.846843 Sb\n-0.000000 0.920498 0.529586 Sb\n-0.000000 0.079502 0.029586 Sb\n0.500000 0.589544 0.475917 Sb\n0.500000 0.410456 0.975917 Sb\n0.500000 0.884458 0.942490 Se\n0.500000 0.115542 0.442490 Se\n-0.000000 0.619716 0.057096 Se\n0.500000 0.546855 0.781908 Se\n0.500000 0.453144 0.281908 Se\n-0.000000 0.380284 0.557096 Se\n-0.000000 0.053669 0.709760 S\n0.500000 0.807809 0.625740 S\n0.500000 0.192190 0.125740 S\n-0.000000 0.699128 0.378811 S\n-0.000000 0.300872 0.878811 S\n-0.000000 0.946330 0.209760 S\n",
"nsites": 20,
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"elements": [
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"Se",
"S"
],
"chemical_system": "S-Sb-Se",
"density": 5.165024298832726,
"density_atomic": 0.037927002148649934,
"volume": 527.3287860087811,
"volume_molar": 15.878240880723991,
"formula_full": "Sb8 Se6 S6",
"formula_reduced": "Sb4(SeS)3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 1.92199645,
"spacegroup": 26
},
{
"id": "jvasp-101121",
"created_at": "2022-09-04T14:37:04.226790Z",
"updated_at": "2022-09-04T14:37:04.226805Z",
"structure_string": "Sm2 Sb1 S1\n1.0\n4.259115 -0.000000 0.000000\n0.000000 4.259115 0.000000\n0.000000 -0.000000 6.024393\nSm Sb S\n2 1 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.500001 0.500001 -0.000000 Sm\n0.000000 0.000000 0.000000 Sb\n0.500001 0.500001 0.500000 S\n",
"nsites": 4,
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"elements": [
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"Sb",
"S"
],
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"density": 6.906753460587105,
"density_atomic": 0.036602265165074054,
"volume": 109.28285399715664,
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"formula_full": "Sm2 Sb1 S1",
"formula_reduced": "Sm2SbS",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"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",
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"spacegroup": 14
},
{
"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",
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"density_atomic": 0.036323597085660436,
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"formula_full": "Tl4 Sb4 S8",
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},
{
"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",
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"formula_full": "Tl2 Sb2 S4",
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},
{
"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",
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"volume": 455.10167423278693,
"volume_molar": 17.129289639634425,
"formula_full": "Tl6 Sb2 S8",
"formula_reduced": "Tl3SbS4",
"formula_anonymous": "AB3C4",
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"spacegroup": 2
}
]
}