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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3406",
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"results": [
{
"id": "jvasp-39444",
"created_at": "2022-09-04T14:37:58.872328Z",
"updated_at": "2022-09-04T14:37:58.872336Z",
"structure_string": "S1 Br3\n1.0\n-1.952602 1.952602 7.004761\n1.952602 -1.952602 7.004761\n1.952602 1.952602 -7.004761\nS Br\n1 3\ndirect\n0.000000 0.000000 0.000000 S\n0.749999 0.250000 0.499999 Br\n0.250000 0.749999 0.499999 Br\n0.500000 0.500000 0.000000 Br\n",
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"elements": [
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],
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"formula_full": "S1 Br3",
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{
"id": "jvasp-17776",
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"updated_at": "2022-09-04T14:38:14.632648Z",
"structure_string": "Sb4 Rh4\n1.0\n3.920566 0.000000 0.000000\n0.000000 6.062217 0.000000\n0.000000 0.000000 6.444919\nSb Rh\n4 4\ndirect\n0.750001 0.800823 0.591381 Sb\n0.250000 0.199177 0.408619 Sb\n0.750001 0.300823 0.908619 Sb\n0.250000 0.699178 0.091381 Sb\n0.750001 0.994253 0.195987 Rh\n0.250000 0.005748 0.804013 Rh\n0.750001 0.494252 0.304013 Rh\n0.250000 0.505748 0.695987 Rh\n",
"nsites": 8,
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],
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"density": 9.741991907610718,
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"volume": 153.17846420125755,
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"formula_full": "Sb4 Rh4",
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"spacegroup": 62
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{
"id": "jvasp-39222",
"created_at": "2022-09-04T14:37:43.796162Z",
"updated_at": "2022-09-04T14:37:43.796181Z",
"structure_string": "Sb1 Rh3\n1.0\n3.964532 -0.000000 0.000000\n0.000000 3.964532 -0.000000\n0.000000 -0.000000 3.964532\nSb Rh\n1 3\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Rh-Sb",
"density": 11.471567438030254,
"density_atomic": 0.06419248797416306,
"volume": 62.31258713028799,
"volume_molar": 9.381379270458968,
"formula_full": "Sb1 Rh3",
"formula_reduced": "SbRh3",
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"spacegroup": 221
},
{
"id": "jvasp-53430",
"created_at": "2022-09-04T14:38:14.327145Z",
"updated_at": "2022-09-04T14:38:14.327170Z",
"structure_string": "Sb1 Rh1 O4\n1.0\n3.211092 0.000000 0.000000\n0.000000 4.632550 -0.038199\n0.000000 -0.038199 4.632550\nSb Rh O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Rh\n0.000000 0.307895 0.307895 O\n0.500000 0.806826 0.193174 O\n0.500000 0.193174 0.806826 O\n0.000000 0.692105 0.692105 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sb",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sb",
"density": 6.956277831077402,
"density_atomic": 0.08707386073015737,
"volume": 68.90701698175587,
"volume_molar": 6.9161292602640705,
"formula_full": "Sb1 Rh1 O4",
"formula_reduced": "SbRhO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.4101305166666678,
"spacegroup": 65
},
{
"id": "jvasp-49912",
"created_at": "2022-09-04T14:36:45.894771Z",
"updated_at": "2022-09-04T14:36:45.894797Z",
"structure_string": "Sb2 Rh2 O8\n1.0\n0.000000 4.669634 3.163079\n0.000000 4.669634 -3.163079\n-4.669634 0.000000 -3.163079\nSb Rh O\n2 2 8\ndirect\n0.253298 0.246702 0.500000 Sb\n0.003298 0.996701 0.000000 Sb\n0.746581 0.753417 0.500000 Rh\n0.496583 0.503417 0.000000 Rh\n0.561151 0.247797 0.808948 O\n0.054719 0.752143 0.806863 O\n0.497856 0.809006 0.693136 O\n0.002202 0.306748 0.691050 O\n0.497856 0.195279 0.306863 O\n0.002202 0.688848 0.308949 O\n0.440994 0.752143 0.193136 O\n0.943252 0.247797 0.191051 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Rh",
"O"
],
"chemical_system": "O-Rh-Sb",
"density": 6.949677394144775,
"density_atomic": 0.0869912410389682,
"volume": 137.94492246207332,
"volume_molar": 6.922697834949094,
"formula_full": "Sb2 Rh2 O8",
"formula_reduced": "SbRhO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.405385516666667,
"spacegroup": 109
},
{
"id": "jvasp-14887",
"created_at": "2022-09-04T14:36:04.058274Z",
"updated_at": "2022-09-04T14:36:04.058296Z",
"structure_string": "Sb4 Ru4\n1.0\n3.892083 0.000000 0.000000\n0.000000 5.902137 0.000000\n0.000000 0.000000 6.625222\nSb Ru\n4 4\ndirect\n0.750000 0.797604 0.585581 Sb\n0.250000 0.202396 0.414419 Sb\n0.750000 0.297604 0.914419 Sb\n0.250000 0.702396 0.085581 Sb\n0.750000 0.994985 0.207652 Ru\n0.250000 0.005016 0.792348 Ru\n0.750000 0.494985 0.292348 Ru\n0.250000 0.505016 0.707652 Ru\n",
"nsites": 8,
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"elements": [
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"Ru"
],
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"density": 9.725029658598666,
"density_atomic": 0.05256518199478966,
"volume": 152.19199661085491,
"volume_molar": 11.45652032670014,
"formula_full": "Sb4 Ru4",
"formula_reduced": "SbRu",
"formula_anonymous": "AB",
"energy_above_hull": 2.0035983000000006,
"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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],
"chemical_system": "S-Sb",
"density": 4.797020484301083,
"density_atomic": 0.037559996873132044,
"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": [
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"S"
],
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"density": 3.58741348272301,
"density_atomic": 0.03486563392018772,
"volume": 172.0892272813635,
"volume_molar": 17.272425832800053,
"formula_full": "Sb2 S4",
"formula_reduced": "SbS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6329787000000002,
"spacegroup": 122
},
{
"id": "jvasp-32441",
"created_at": "2022-09-04T14:36:39.470788Z",
"updated_at": "2022-09-04T14:36:39.470809Z",
"structure_string": "Sb1 S2 N1 Cl6\n1.0\n6.087097 -0.000000 3.512825\n2.590431 5.991066 2.541585\n0.014937 -0.016331 7.004453\nSb S N Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.688623 0.311377 S\n0.500000 0.311378 0.688622 S\n0.500000 0.500000 0.499999 N\n0.937313 0.815257 0.815255 Cl\n-0.000000 0.696008 0.303992 Cl\n0.567826 0.184744 0.184744 Cl\n0.000000 0.303993 0.696007 Cl\n0.062688 0.184744 0.184744 Cl\n0.432175 0.815257 0.815255 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sb",
"S",
"N",
"Cl"
],
"chemical_system": "Cl-N-S-Sb",
"density": 2.6844972009532437,
"density_atomic": 0.039180426726321695,
"volume": 255.2294815431892,
"volume_molar": 15.370278639549072,
"formula_full": "Sb1 S2 N1 Cl6",
"formula_reduced": "SbS2NCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.2988223755000003,
"spacegroup": 71
},
{
"id": "jvasp-10970",
"created_at": "2022-09-04T14:37:18.117913Z",
"updated_at": "2022-09-04T14:37:18.117944Z",
"structure_string": "Sb1 S2 N1 F6\n1.0\n5.300394 0.000578 0.045173\n0.031602 5.394549 2.162951\n0.001087 0.045298 5.811924\nSb S N F\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Sb\n0.373466 0.638547 0.638546 S\n0.626534 0.361453 0.361452 S\n0.500000 0.500000 0.499999 N\n0.300402 0.109635 0.109635 F\n0.699598 0.890366 0.890364 F\n0.857732 0.328283 0.908573 F\n0.142268 0.091426 0.671717 F\n0.142268 0.671718 0.091426 F\n0.857731 0.908575 0.328281 F\n",
"nsites": 10,
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"elements": [
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"N",
"F"
],
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"density": 3.1462951872557468,
"density_atomic": 0.06036384208757457,
"volume": 165.66208601321657,
"volume_molar": 9.976404005668174,
"formula_full": "Sb1 S2 N1 F6",
"formula_reduced": "SbS2NF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.0000941045000002,
"spacegroup": 12
},
{
"id": "jvasp-91627",
"created_at": "2022-09-04T14:36:19.125456Z",
"updated_at": "2022-09-04T14:36:19.125484Z",
"structure_string": "Sb1 S4 N3\n1.0\n-3.045658 -3.045658 3.045658\n-3.045658 3.045658 -3.045658\n3.045658 -3.045658 -3.045658\nSb S N\n1 4 3\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500056 0.000000 0.000000 S\n0.000000 0.500056 0.000000 S\n0.000000 0.000000 0.500056 S\n0.499945 0.499945 0.499945 S\n0.000000 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 8,
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],
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"density": 4.291293230058788,
"density_atomic": 0.07079239291530114,
"volume": 113.00649223104412,
"volume_molar": 8.506762537614927,
"formula_full": "Sb1 S4 N3",
"formula_reduced": "SbS4N3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.84474698125,
"spacegroup": 229
},
{
"id": "jvasp-97861",
"created_at": "2022-09-04T14:38:17.803099Z",
"updated_at": "2022-09-04T14:38:17.803127Z",
"structure_string": "Sb4 S28 I4 F24\n1.0\n8.829914 0.000000 0.000000\n0.000000 11.580440 0.000000\n0.000000 0.000000 12.542172\nSb S I F\n4 28 4 24\ndirect\n0.065558 0.591281 0.358617 Sb\n0.565558 0.408719 0.141383 Sb\n0.434442 0.091281 0.641383 Sb\n0.934441 0.908719 0.858617 Sb\n0.903064 0.132278 0.536710 S\n0.968639 0.249780 0.281665 S\n0.443330 0.058021 0.997226 S\n0.846126 0.919091 0.363611 S\n0.346126 0.080909 0.136389 S\n0.521720 0.035299 0.253894 S\n0.031361 0.250220 0.781665 S\n0.445349 0.892950 0.326946 S\n0.556669 0.441979 0.497226 S\n0.943330 0.941979 0.502774 S\n0.056670 0.558021 0.002774 S\n0.554651 0.607050 0.826946 S\n0.153874 0.580909 0.863611 S\n0.478279 0.464701 0.753894 S\n0.781009 0.191016 0.423810 S\n0.653874 0.419091 0.636389 S\n0.218991 0.308984 0.923810 S\n0.054651 0.392950 0.673054 S\n0.021720 0.964701 0.246106 S\n0.596936 0.632278 0.463290 S\n0.978279 0.535299 0.746106 S\n0.096936 0.367722 0.036710 S\n0.281009 0.808984 0.076190 S\n0.718991 0.691016 0.576190 S\n0.468639 0.750220 0.218335 S\n0.403064 0.867722 0.963290 S\n0.945349 0.107050 0.173054 S\n0.531361 0.749780 0.718335 S\n0.692240 0.780786 0.117894 I\n0.807759 0.280786 0.882106 I\n0.307759 0.719214 0.617894 I\n0.192240 0.219214 0.382106 I\n0.126239 0.851631 0.812263 F\n0.467561 0.534269 0.068234 F\n0.967560 0.465731 0.431766 F\n0.626239 0.148369 0.687736 F\n0.448027 0.182124 0.510901 F\n0.032439 0.034269 0.931766 F\n0.416013 0.001521 0.769000 F\n0.373761 0.351631 0.187736 F\n0.661714 0.277605 0.209137 F\n0.551973 0.317876 0.010901 F\n0.083987 0.501521 0.231000 F\n0.583987 0.498479 0.269000 F\n0.739620 0.961855 0.905049 F\n0.760380 0.461855 0.094951 F\n0.532439 0.965731 0.568234 F\n0.239620 0.038145 0.594951 F\n0.873760 0.648369 0.312264 F\n0.838286 0.777605 0.790863 F\n0.051973 0.682124 0.489099 F\n0.161714 0.722395 0.290863 F\n0.338286 0.222395 0.709137 F\n0.260380 0.538145 0.405049 F\n0.948027 0.817876 0.989099 F\n0.916013 -0.001521 0.731000 F\n",
"nsites": 60,
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"elements": [
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"I",
"F"
],
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"density": 3.040704365641981,
"density_atomic": 0.04678395827411979,
"volume": 1282.4908839146074,
"volume_molar": 12.872234377250974,
"formula_full": "Sb4 S28 I4 F24",
"formula_reduced": "SbS7IF6",
"formula_anonymous": "ABC6D7",
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"spacegroup": 19
}
]
}