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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1251",
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"results": [
{
"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",
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"elements": [
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],
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"volume": 165.66208601321657,
"volume_molar": 9.976404005668174,
"formula_full": "Sb1 S2 N1 F6",
"formula_reduced": "SbS2NF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 12
},
{
"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,
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"elements": [
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"N",
"Cl"
],
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"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-88671",
"created_at": "2022-09-04T14:35:42.382533Z",
"updated_at": "2022-09-04T14:35:42.382561Z",
"structure_string": "Sb1 S24 I3\n1.0\n12.651052 -0.040629 -7.010257\n-11.892353 4.315404 -7.010257\n-0.007211 -0.040629 14.463498\nSb S I\n1 24 3\ndirect\n0.348071 0.348071 0.348071 Sb\n0.443014 0.168783 0.443014 S\n0.761061 0.625495 0.373802 S\n0.625495 0.373802 0.761061 S\n0.373802 0.761061 0.625495 S\n0.373802 0.625495 0.761061 S\n0.625495 0.761061 0.373802 S\n0.761061 0.373802 0.625495 S\n0.616645 0.424839 0.081307 S\n0.424839 0.081308 0.616646 S\n0.081307 0.616645 0.424839 S\n0.081308 0.424839 0.616645 S\n0.424839 0.616645 0.081307 S\n0.616646 0.081308 0.424839 S\n0.867909 0.734526 0.248765 S\n0.734526 0.248766 0.867909 S\n0.248766 0.867909 0.734526 S\n0.248766 0.734526 0.867909 S\n0.734526 0.867909 0.248765 S\n0.867909 0.248766 0.734526 S\n-0.016494 0.585844 0.585844 S\n0.585844 0.585844 -0.016495 S\n0.585845 -0.016494 0.585845 S\n0.443014 0.443014 0.168783 S\n0.168783 0.443014 0.443014 S\n0.118173 0.951064 0.951064 I\n0.951064 0.951064 0.118173 I\n0.951065 0.118173 0.951065 I\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sb",
"S",
"I"
],
"chemical_system": "I-S-Sb",
"density": 2.723997586925803,
"density_atomic": 0.036109139091953714,
"volume": 775.4269612658616,
"volume_molar": 16.677608249436023,
"formula_full": "Sb1 S24 I3",
"formula_reduced": "Sb(S8I)3",
"formula_anonymous": "AB3C24",
"energy_above_hull": 2.110995175892857,
"spacegroup": 160
},
{
"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,
"nelements": 2,
"elements": [
"Sb",
"Rh"
],
"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",
"formula_anonymous": "AB3",
"energy_above_hull": 2.519383775,
"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,
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"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-19599",
"created_at": "2022-09-04T14:37:46.568859Z",
"updated_at": "2022-09-04T14:37:46.568889Z",
"structure_string": "Sb1 Pt7\n1.0\n4.940621 0.000000 2.852469\n1.646874 4.658062 2.852469\n0.000000 0.000000 5.704936\nSb Pt\n1 7\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500001 Pt\n0.500000 -0.000000 0.000000 Pt\n-0.000000 -0.000000 0.500000 Pt\n0.500000 0.500000 0.000001 Pt\n-0.000000 0.500000 0.500001 Pt\n-0.000000 0.500000 0.000000 Pt\n0.500000 -0.000000 0.500000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb",
"density": 18.811529577578902,
"density_atomic": 0.060932978195409604,
"volume": 131.29179365473198,
"volume_molar": 9.883220775270885,
"formula_full": "Sb1 Pt7",
"formula_reduced": "SbPt7",
"formula_anonymous": "AB7",
"energy_above_hull": 2.8991532375,
"spacegroup": 225
},
{
"id": "jvasp-39225",
"created_at": "2022-09-04T14:37:53.280184Z",
"updated_at": "2022-09-04T14:37:53.280204Z",
"structure_string": "Sb1 Pt3\n1.0\n0.000000 3.264369 3.264369\n3.264369 -0.000000 3.264369\n3.264369 3.264369 0.000000\nSb Pt\n1 3\ndirect\n0.750000 0.750000 0.750000 Sb\n0.000000 0.000000 0.000000 Pt\n0.500001 0.500001 0.500001 Pt\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb",
"density": 16.875169823765034,
"density_atomic": 0.05749528894148147,
"volume": 69.5709174376215,
"volume_molar": 10.47414644029238,
"formula_full": "Sb1 Pt3",
"formula_reduced": "SbPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3472850750000003,
"spacegroup": 225
},
{
"id": "jvasp-39226",
"created_at": "2022-09-04T14:37:53.876845Z",
"updated_at": "2022-09-04T14:37:53.876866Z",
"structure_string": "Sb1 Pt3\n1.0\n-2.016752 2.016752 4.271980\n2.016752 -2.016752 4.271980\n2.016752 2.016752 -4.271980\nSb Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Sb\n0.750001 0.250000 0.500000 Pt\n0.250000 0.750001 0.500000 Pt\n0.500001 0.500001 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb",
"density": 16.89202392242767,
"density_atomic": 0.05755271243899743,
"volume": 69.50150271787399,
"volume_molar": 10.463695809963992,
"formula_full": "Sb1 Pt3",
"formula_reduced": "SbPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3475550750000003,
"spacegroup": 139
},
{
"id": "jvasp-106337",
"created_at": "2022-09-04T14:38:40.151389Z",
"updated_at": "2022-09-04T14:38:40.151426Z",
"structure_string": "Sb1 Pd6 S1\n1.0\n4.322758 -0.008208 6.342803\n1.949814 3.858048 6.342803\n-0.013373 -0.008208 7.675754\nSb Pd S\n1 6 1\ndirect\n0.500000 0.500000 0.499999 Sb\n0.630778 0.630777 0.630776 Pd\n0.115858 0.115858 0.115858 Pd\n0.884142 0.884141 0.884141 Pd\n0.369223 0.369222 0.369222 Pd\n0.243381 0.243381 0.243380 Pd\n0.756620 0.756619 0.756618 Pd\n0.000000 0.000000 0.000000 S\n",
"nsites": 8,
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"elements": [
"Sb",
"Pd",
"S"
],
"chemical_system": "Pd-S-Sb",
"density": 10.232216166157896,
"density_atomic": 0.06221516744412587,
"volume": 128.58600769956348,
"volume_molar": 9.679537976665188,
"formula_full": "Sb1 Pd6 S1",
"formula_reduced": "SbPd6S",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.9471125375000005,
"spacegroup": 166
},
{
"id": "jvasp-39231",
"created_at": "2022-09-04T14:37:52.691742Z",
"updated_at": "2022-09-04T14:37:52.691760Z",
"structure_string": "Sb1 Pd3\n1.0\n0.000000 3.225220 3.225220\n3.225220 -0.000000 3.225220\n3.225220 3.225220 -0.000000\nSb Pd\n1 3\ndirect\n0.750001 0.750001 0.750001 Sb\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.499999 Pd\n0.250001 0.250001 0.250001 Pd\n",
"nsites": 4,
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"elements": [
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],
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"volume": 67.0977610115613,
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"formula_full": "Sb1 Pd3",
"formula_reduced": "SbPd3",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-110178",
"created_at": "2022-09-04T14:38:19.249391Z",
"updated_at": "2022-09-04T14:38:19.249423Z",
"structure_string": "Sb1 Pb3\n1.0\n3.490567 -0.000000 0.000000\n-1.745284 3.022919 0.000000\n-0.000000 -0.000000 11.618294\nSb Pb\n1 3\ndirect\n0.333334 0.666667 0.500000 Sb\n0.333334 0.666667 -0.000000 Pb\n0.000000 0.000000 0.744605 Pb\n0.000000 0.000000 0.255394 Pb\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.068932621907527,
"density_atomic": 0.03262835211635691,
"volume": 122.5927679625218,
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"formula_full": "Sb1 Pb3",
"formula_reduced": "SbPb3",
"formula_anonymous": "AB3",
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"spacegroup": 187
},
{
"id": "jvasp-99505",
"created_at": "2022-09-04T14:36:46.453312Z",
"updated_at": "2022-09-04T14:36:46.453327Z",
"structure_string": "Sb1 Pb1 S2\n1.0\n6.164230 -0.009575 0.000000\n-4.947539 3.676912 0.000000\n0.000000 -0.000000 4.419322\nSb Pb S\n1 1 2\ndirect\n0.869874 0.130124 -0.000000 Sb\n0.116635 0.883364 0.500000 Pb\n0.361178 0.638820 0.500000 S\n0.652310 0.347688 -0.000000 S\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.530283604737746,
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"volume": 99.956041911599,
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"formula_full": "Sb1 Pb1 S2",
"formula_reduced": "SbPbS2",
"formula_anonymous": "ABC2",
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"spacegroup": 38
}
]
}