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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1519",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1517",
"results": [
{
"id": "jvasp-94095",
"created_at": "2022-09-04T14:35:43.691817Z",
"updated_at": "2022-09-04T14:35:43.691834Z",
"structure_string": "Mg6 Ga1 Ni1\n1.0\n6.028132 0.049540 0.000000\n-2.971163 5.245285 0.000000\n0.000000 0.000000 4.808691\nMg Ga Ni\n6 1 1\ndirect\n0.164088 0.844999 0.250000 Mg\n0.655000 0.335912 0.250000 Mg\n0.662624 0.837375 0.250000 Mg\n0.329461 0.638685 0.750000 Mg\n0.861314 0.170539 0.750000 Mg\n0.836026 0.663973 0.750000 Mg\n0.335866 0.164134 0.750000 Ga\n0.155622 0.344378 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Ga",
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],
"chemical_system": "Ga-Mg-Ni",
"density": 2.981221998928921,
"density_atomic": 0.05237141058715905,
"volume": 152.755098827938,
"volume_molar": 11.498908836869424,
"formula_full": "Mg6 Ga1 Ni1",
"formula_reduced": "Mg6GaNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-41294",
"created_at": "2022-09-04T14:37:33.163001Z",
"updated_at": "2022-09-04T14:37:33.163021Z",
"structure_string": "Mg1 Ga1 Ni2\n1.0\n-0.000000 2.950711 2.950711\n2.950711 0.000000 2.950711\n2.950711 2.950711 0.000000\nMg Ga Ni\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Mg\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ga",
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],
"chemical_system": "Ga-Mg-Ni",
"density": 6.832418521907019,
"density_atomic": 0.07784844974784039,
"volume": 51.38188381344055,
"volume_molar": 7.735723420962614,
"formula_full": "Mg1 Ga1 Ni2",
"formula_reduced": "MgGaNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3282557510416667,
"spacegroup": 225
},
{
"id": "jvasp-94086",
"created_at": "2022-09-04T14:35:54.799297Z",
"updated_at": "2022-09-04T14:35:54.799322Z",
"structure_string": "Mg6 Ga1 Ni1\n1.0\n6.054956 -0.139272 0.000000\n-3.148091 5.452653 0.000000\n0.000000 0.000000 4.704133\nMg Ga Ni\n6 1 1\ndirect\n0.676717 0.336150 0.250000 Mg\n0.676717 0.840566 0.250000 Mg\n0.318603 0.171839 0.750000 Mg\n0.318603 0.646763 0.750000 Mg\n0.844358 0.172178 0.750000 Mg\n0.835632 0.667816 0.750000 Mg\n0.171464 0.835731 0.250000 Ga\n0.157911 0.328955 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ga",
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],
"chemical_system": "Ga-Mg-Ni",
"density": 2.971649465645792,
"density_atomic": 0.052203248983927183,
"volume": 153.24716671299737,
"volume_molar": 11.535950112710708,
"formula_full": "Mg6 Ga1 Ni1",
"formula_reduced": "Mg6GaNi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.00016125,
"spacegroup": 38
},
{
"id": "jvasp-16403",
"created_at": "2022-09-04T14:38:33.900038Z",
"updated_at": "2022-09-04T14:38:33.900065Z",
"structure_string": "Nd3 Mg3 Ga3\n1.0\n3.727862 -6.456847 0.000000\n3.727862 6.456847 -0.000000\n-0.000000 -0.000000 4.505506\nNd Mg Ga\n3 3 3\ndirect\n0.579528 -0.000000 0.000000 Nd\n0.420472 0.420472 0.000000 Nd\n-0.000000 0.579528 0.000000 Nd\n0.243518 -0.000000 0.500000 Mg\n0.756482 0.756482 0.500000 Mg\n-0.000000 0.243518 0.500000 Mg\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Nd",
"density": 5.47250070699241,
"density_atomic": 0.04149431683984147,
"volume": 216.8971725631231,
"volume_molar": 14.51317004023486,
"formula_full": "Nd3 Mg3 Ga3",
"formula_reduced": "NdMgGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-92913",
"created_at": "2022-09-04T14:36:22.105331Z",
"updated_at": "2022-09-04T14:36:22.105365Z",
"structure_string": "Mg6 Nb1 Ga1\n1.0\n6.236749 0.171424 0.000000\n-2.969917 5.144047 0.000000\n0.000000 0.000000 4.950907\nMg Nb Ga\n6 1 1\ndirect\n0.655008 0.326931 0.250000 Mg\n0.655008 0.828077 0.250000 Mg\n0.336754 0.177140 0.750001 Mg\n0.336754 0.659616 0.750001 Mg\n0.847971 0.173986 0.750001 Mg\n0.855349 0.677675 0.750001 Mg\n0.150602 0.325300 0.250000 Nb\n0.162551 0.831276 0.250000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Ga"
],
"chemical_system": "Ga-Mg-Nb",
"density": 3.1743978685577225,
"density_atomic": 0.04957974252377709,
"volume": 161.3562231825512,
"volume_molar": 12.14637360634123,
"formula_full": "Mg6 Nb1 Ga1",
"formula_reduced": "Mg6NbGa",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0024570031249999,
"spacegroup": 38
},
{
"id": "jvasp-92862",
"created_at": "2022-09-04T14:36:06.935629Z",
"updated_at": "2022-09-04T14:36:06.935653Z",
"structure_string": "Mg6 Nb1 Ga1\n1.0\n6.229824 0.015191 0.000000\n-3.101755 5.402780 0.000000\n0.000000 0.000000 4.833770\nMg Nb Ga\n6 1 1\ndirect\n0.171551 0.833007 0.250000 Mg\n0.666993 0.328448 0.250000 Mg\n0.667807 0.832192 0.250000 Mg\n0.330463 0.657172 0.750000 Mg\n0.842827 0.169536 0.750000 Mg\n0.833338 0.666661 0.750000 Mg\n0.173508 0.326491 0.250000 Nb\n0.313506 0.186493 0.750000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Ga"
],
"chemical_system": "Ga-Mg-Nb",
"density": 3.143840372703672,
"density_atomic": 0.04910247633366855,
"volume": 162.92457320557915,
"volume_molar": 12.264433913836525,
"formula_full": "Mg6 Nb1 Ga1",
"formula_reduced": "Mg6NbGa",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0020032531249999,
"spacegroup": 38
},
{
"id": "jvasp-93056",
"created_at": "2022-09-04T14:35:55.312670Z",
"updated_at": "2022-09-04T14:35:55.312703Z",
"structure_string": "Na1 Mg6 Ga1\n1.0\n6.411576 0.024882 0.000000\n-3.184240 5.515265 0.000000\n0.000000 0.000000 5.125458\nNa Mg Ga\n1 6 1\ndirect\n0.166124 0.333062 0.250000 Na\n0.667666 0.332434 0.250000 Mg\n0.667666 0.835230 0.250000 Mg\n0.330080 0.158936 0.750000 Mg\n0.330080 0.671142 0.750000 Mg\n0.826578 0.163288 0.750000 Mg\n0.835339 0.667669 0.750000 Mg\n0.176469 0.838233 0.250000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Ga"
],
"chemical_system": "Ga-Mg-Na",
"density": 2.1806176064716274,
"density_atomic": 0.044040693294812285,
"volume": 181.65018308061806,
"volume_molar": 13.674037144890654,
"formula_full": "Na1 Mg6 Ga1",
"formula_reduced": "NaMg6Ga",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-117240",
"created_at": "2022-09-04T14:38:49.871465Z",
"updated_at": "2022-09-04T14:38:49.871494Z",
"structure_string": "Mg2 Ga2 Mo2 S8\n1.0\n6.396804 0.000128 3.668107\n2.010174 5.938516 3.906019\n0.017665 0.303875 7.380215\nMg Ga Mo S\n2 2 2 8\ndirect\n0.861795 0.888204 0.888185 Mg\n0.109670 0.140287 0.140294 Mg\n0.504052 0.486924 0.486924 Ga\n0.022137 0.486917 0.486917 Ga\n0.497546 0.551992 -0.047083 Mo\n0.497548 -0.047087 0.551998 Mo\n0.780852 0.729821 0.729841 S\n0.273916 0.222548 0.729648 S\n0.273883 0.729651 0.222571 S\n0.707834 0.261726 0.261742 S\n0.721310 0.298212 0.759198 S\n0.259483 0.729861 0.729829 S\n0.268680 0.261733 0.261722 S\n0.721291 0.759219 0.298213 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Ga",
"Mo",
"S"
],
"chemical_system": "Ga-Mg-Mo-S",
"density": 3.84848178233746,
"density_atomic": 0.050980018444256085,
"volume": 274.61739770275386,
"volume_molar": 11.812747315077745,
"formula_full": "Mg2 Ga2 Mo2 S8",
"formula_reduced": "MgGaMoS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8722338964285716,
"spacegroup": 44
},
{
"id": "jvasp-92908",
"created_at": "2022-09-04T14:36:06.574604Z",
"updated_at": "2022-09-04T14:36:06.574619Z",
"structure_string": "Mg6 Ga1 Mo1\n1.0\n6.127082 0.145930 0.000000\n-2.937162 5.087313 0.000000\n0.000000 0.000000 4.915442\nMg Ga Mo\n6 1 1\ndirect\n0.656673 0.327307 0.250000 Mg\n0.656673 0.829365 0.250000 Mg\n0.333293 0.177321 0.750000 Mg\n0.333293 0.655973 0.750000 Mg\n0.854880 0.177441 0.750000 Mg\n0.850918 0.675460 0.750000 Mg\n0.161284 0.830641 0.250000 Ga\n0.152984 0.326491 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Mo"
],
"chemical_system": "Ga-Mg-Mo",
"density": 3.330131778733685,
"density_atomic": 0.051505548639138185,
"volume": 155.3230712296682,
"volume_molar": 11.692217477757103,
"formula_full": "Mg6 Ga1 Mo1",
"formula_reduced": "Mg6GaMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0823315656249999,
"spacegroup": 38
},
{
"id": "jvasp-92896",
"created_at": "2022-09-04T14:36:02.771427Z",
"updated_at": "2022-09-04T14:36:02.771450Z",
"structure_string": "Mg6 Ga1 Mo1\n1.0\n6.123334 0.017947 0.000000\n-3.046125 5.311936 0.000000\n0.000000 0.000000 4.807472\nMg Ga Mo\n6 1 1\ndirect\n0.171659 0.835640 0.250000 Mg\n0.664360 0.328341 0.250000 Mg\n0.667718 0.832282 0.250000 Mg\n0.327669 0.650535 0.750000 Mg\n0.849465 0.172331 0.750000 Mg\n0.834184 0.665816 0.750000 Mg\n0.312876 0.187124 0.750000 Ga\n0.172064 0.327936 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Mo"
],
"chemical_system": "Ga-Mg-Mo",
"density": 3.3022543599802403,
"density_atomic": 0.05107438199380947,
"volume": 156.63429859943582,
"volume_molar": 11.790922425120918,
"formula_full": "Mg6 Ga1 Mo1",
"formula_reduced": "Mg6GaMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0812990656249999,
"spacegroup": 38
},
{
"id": "jvasp-119091",
"created_at": "2022-09-04T14:38:34.225774Z",
"updated_at": "2022-09-04T14:38:34.225795Z",
"structure_string": "Mg4 Mn2 Ga6\n1.0\n5.051197 -0.002126 0.000000\n-2.194369 4.549652 0.000000\n0.000000 -0.000000 8.438482\nMg Mn Ga\n4 2 6\ndirect\n0.672569 0.327430 0.066319 Mg\n0.327431 0.672569 0.933680 Mg\n0.327431 0.672569 0.566319 Mg\n0.672569 0.327430 0.433681 Mg\n0.845622 0.154378 0.750000 Mn\n0.154378 0.845621 0.250000 Mn\n0.831190 0.639150 0.750000 Ga\n0.168810 0.360849 0.250000 Ga\n0.360849 0.168809 0.750000 Ga\n0.639151 0.831189 0.250000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mn",
"Ga"
],
"chemical_system": "Ga-Mg-Mn",
"density": 5.3565110404333955,
"density_atomic": 0.06189172735205051,
"volume": 193.88697833140108,
"volume_molar": 9.73012229202306,
"formula_full": "Mg4 Mn2 Ga6",
"formula_reduced": "Mg2MnGa3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1989670527298854,
"spacegroup": 63
},
{
"id": "jvasp-18704",
"created_at": "2022-09-04T14:35:48.862186Z",
"updated_at": "2022-09-04T14:35:48.862205Z",
"structure_string": "Mg2 Ga4\n1.0\n2.163163 -3.746709 0.000000\n2.163163 3.746709 -0.000000\n-0.000000 -0.000000 7.047691\nMg Ga\n2 4\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.666666 0.333332 0.446283 Ga\n0.333332 0.666666 0.946283 Ga\n0.666666 0.333332 0.053717 Ga\n0.333332 0.666666 0.553717 Ga\n",
"nsites": 6,
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],
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"density": 4.760438888172681,
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"volume": 114.23943845614306,
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"formula_full": "Mg2 Ga4",
"formula_reduced": "MgGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0596585,
"spacegroup": 194
}
]
}