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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1120",
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"results": [
{
"id": "jvasp-119633",
"created_at": "2022-09-04T14:38:52.013283Z",
"updated_at": "2022-09-04T14:38:52.013298Z",
"structure_string": "Sm4 Ga18 Ir6\n1.0\n7.610267 0.007058 0.000000\n-3.786722 6.601283 0.000000\n-0.000000 -0.000000 9.578790\nSm Ga Ir\n4 18 6\ndirect\n0.997211 0.669288 0.250000 Sm\n0.002790 0.330712 0.750000 Sm\n0.669288 0.997210 0.250000 Sm\n0.330713 0.002790 0.750000 Sm\n0.454489 0.661063 0.750000 Ga\n0.545512 0.338937 0.250000 Ga\n0.661063 0.454488 0.750000 Ga\n0.338937 0.545511 0.250000 Ga\n0.332898 0.332897 0.935148 Ga\n0.667103 0.667102 0.064852 Ga\n0.667103 0.667102 0.435148 Ga\n0.332898 0.332897 0.564852 Ga\n0.334660 0.000221 0.079290 Ga\n0.665340 -0.000220 0.579290 Ga\n0.000221 0.334660 0.420710 Ga\n0.334660 0.000221 0.420710 Ga\n-0.000221 0.665340 0.579290 Ga\n-0.000221 0.665340 0.920710 Ga\n0.000221 0.334660 0.079290 Ga\n0.870307 0.870305 0.750000 Ga\n0.129695 0.129694 0.250000 Ga\n0.665340 -0.000220 0.920710 Ga\n0.000000 0.000000 0.000000 Ir\n0.670721 0.329279 -0.000000 Ir\n0.329279 0.670721 -0.000000 Ir\n0.329279 0.670721 0.500000 Ir\n0.670721 0.329279 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
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],
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"density": 10.38031428318365,
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"volume": 481.4707226187101,
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"formula_full": "Sm4 Ga18 Ir6",
"formula_reduced": "Sm2(Ga3Ir)3",
"formula_anonymous": "A2B3C9",
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"spacegroup": 63
},
{
"id": "jvasp-111786",
"created_at": "2022-09-04T14:38:41.368808Z",
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"structure_string": "Sm2 Ga3 Fe14 C2\n1.0\n6.455406 0.017019 0.704723\n0.695744 6.417827 0.704723\n0.009456 0.008509 6.489862\nSm Ga Fe C\n2 3 14 2\ndirect\n0.351097 0.351097 0.332996 Sm\n0.648904 0.648904 0.667003 Sm\n0.000000 0.000000 0.500000 Ga\n-0.000000 0.500000 -0.000000 Ga\n0.500000 0.000000 -0.000000 Ga\n0.284801 0.715199 -0.000000 Fe\n0.001338 0.284716 0.714540 Fe\n0.715285 0.998663 0.285459 Fe\n0.998662 0.715285 0.285459 Fe\n0.284716 0.001338 0.714540 Fe\n0.715199 0.284802 -0.000001 Fe\n0.849812 0.347394 0.344237 Fe\n0.345424 0.345424 0.846945 Fe\n0.150188 0.652607 0.655762 Fe\n0.652607 0.150188 0.655761 Fe\n0.654576 0.654577 0.153054 Fe\n0.908068 0.908068 0.905197 Fe\n0.091933 0.091933 0.094801 Fe\n0.347394 0.849812 0.344237 Fe\n0.500001 0.000000 0.500000 C\n-0.000000 0.500000 0.500000 C\n",
"nsites": 21,
"nelements": 4,
"elements": [
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],
"chemical_system": "C-Fe-Ga-Sm",
"density": 8.130573059333218,
"density_atomic": 0.07814858951153836,
"volume": 268.718861482451,
"volume_molar": 7.706013374829821,
"formula_full": "Sm2 Ga3 Fe14 C2",
"formula_reduced": "Sm2Ga3(Fe7C)2",
"formula_anonymous": "A2B2C3D14",
"energy_above_hull": 3.7281691297619046,
"spacegroup": 12
},
{
"id": "jvasp-99935",
"created_at": "2022-09-04T14:36:57.292765Z",
"updated_at": "2022-09-04T14:36:57.292793Z",
"structure_string": "Sm2 Ga3 Cu1\n1.0\n4.390628 -0.000000 -0.000000\n-2.195313 3.802395 0.000000\n-0.000000 0.000000 7.502146\nSm Ga Cu\n2 3 1\ndirect\n0.000000 0.000000 0.733224 Sm\n0.000000 0.000000 0.262600 Sm\n0.333333 0.666666 0.483175 Ga\n0.333333 0.666666 0.041583 Ga\n0.666667 0.333333 0.955984 Ga\n0.666667 0.333333 0.523436 Cu\n",
"nsites": 6,
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"elements": [
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"Cu"
],
"chemical_system": "Cu-Ga-Sm",
"density": 7.60263095758092,
"density_atomic": 0.04790511265134625,
"volume": 125.24759191504344,
"volume_molar": 12.570977139390495,
"formula_full": "Sm2 Ga3 Cu1",
"formula_reduced": "Sm2Ga3Cu",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1428741958333332,
"spacegroup": 156
},
{
"id": "jvasp-108738",
"created_at": "2022-09-04T14:38:27.246341Z",
"updated_at": "2022-09-04T14:38:27.246362Z",
"structure_string": "Sm2 Ga3 Cu1\n1.0\n3.749397 -0.000000 0.000000\n0.000000 4.382718 0.000000\n-0.000000 -0.000000 7.596157\nSm Ga Cu\n2 3 1\ndirect\n-0.000000 0.500000 0.003709 Sm\n0.000000 0.000000 0.497193 Sm\n0.500000 0.000000 0.836312 Ga\n0.500000 0.000000 0.175210 Ga\n0.500000 0.500000 0.657599 Ga\n0.500000 0.500000 0.329977 Cu\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Cu-Ga-Sm",
"density": 7.628416678635166,
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"volume": 124.8242275913716,
"volume_molar": 12.528484480225258,
"formula_full": "Sm2 Ga3 Cu1",
"formula_reduced": "Sm2Ga3Cu",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1414408624999998,
"spacegroup": 25
},
{
"id": "jvasp-117371",
"created_at": "2022-09-04T14:38:27.103793Z",
"updated_at": "2022-09-04T14:38:27.103826Z",
"structure_string": "Sm2 Ga2 Fe15 C2\n1.0\n6.398149 -0.012205 0.802546\n0.678717 6.362060 0.802546\n-0.004556 -0.004088 6.532044\nSm Ga Fe C\n2 2 15 2\ndirect\n0.343683 0.343682 0.323446 Sm\n0.653266 0.653265 0.671006 Sm\n0.336649 0.837685 0.337466 Ga\n0.837685 0.336648 0.337466 Ga\n0.343767 0.343767 0.854671 Fe\n0.152830 0.658537 0.667833 Fe\n0.658537 0.152830 0.667833 Fe\n0.663366 0.663365 0.131814 Fe\n0.995131 0.995130 0.510911 Fe\n0.496859 0.003079 0.999573 Fe\n0.003080 0.496859 0.999573 Fe\n0.276914 0.722636 0.993494 Fe\n0.005557 0.288671 0.710490 Fe\n0.722636 0.276913 0.993494 Fe\n0.990365 0.709150 0.285755 Fe\n0.288671 0.005557 0.710490 Fe\n0.902381 0.902380 0.906820 Fe\n0.092970 0.092970 0.091011 Fe\n0.709151 0.990364 0.285755 Fe\n0.512618 0.013884 0.510554 C\n0.013885 0.512618 0.510554 C\n",
"nsites": 21,
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"elements": [
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"C"
],
"chemical_system": "C-Fe-Ga-Sm",
"density": 8.12747981382057,
"density_atomic": 0.07895161401664319,
"volume": 265.985695942494,
"volume_molar": 7.627634767201236,
"formula_full": "Sm2 Ga2 Fe15 C2",
"formula_reduced": "Sm2Ga2Fe15C2",
"formula_anonymous": "A2B2C2D15",
"energy_above_hull": 3.965090709523809,
"spacegroup": 8
},
{
"id": "jvasp-116659",
"created_at": "2022-09-04T14:38:44.679609Z",
"updated_at": "2022-09-04T14:38:44.679638Z",
"structure_string": "Sm2 Ga2 Fe12 Co3 C1\n1.0\n6.395578 0.009216 0.807797\n0.704088 6.356710 0.807797\n-0.008816 -0.007905 6.434403\nSm Ga Fe Co C\n2 2 12 3 1\ndirect\n0.656411 0.656411 0.639834 Sm\n0.343589 0.343589 0.360167 Sm\n0.894882 0.894882 0.897453 Ga\n0.105118 0.105118 0.102548 Ga\n0.714656 0.285345 0.000000 Fe\n0.000983 0.707551 0.290056 Fe\n0.292448 0.999016 0.709944 Fe\n0.999017 0.292448 0.709944 Fe\n0.707552 0.000983 0.290056 Fe\n0.285345 0.714656 0.000000 Fe\n0.154290 0.660278 0.657224 Fe\n0.660278 0.154290 0.657224 Fe\n0.654866 0.654866 0.152238 Fe\n0.845710 0.339722 0.342776 Fe\n0.339722 0.845710 0.342776 Fe\n0.345134 0.345134 0.847762 Fe\n-0.000000 -0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 C\n",
"nsites": 20,
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"elements": [
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"C"
],
"chemical_system": "C-Co-Fe-Ga-Sm",
"density": 8.245378624675478,
"density_atomic": 0.07644401242256861,
"volume": 261.62938556186236,
"volume_molar": 7.877844934029234,
"formula_full": "Sm2 Ga2 Fe12 Co3 C1",
"formula_reduced": "Sm2Ga2Fe12Co3C",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 3.742527555,
"spacegroup": 12
},
{
"id": "jvasp-116658",
"created_at": "2022-09-04T14:38:51.261147Z",
"updated_at": "2022-09-04T14:38:51.261166Z",
"structure_string": "Sm2 Fe5 Co12 C1\n1.0\n6.313209 0.003924 0.716150\n0.609899 6.237503 0.681604\n0.012875 0.003924 6.353685\nSm Fe Co C\n2 5 12 1\ndirect\n0.659882 0.640014 0.659882 Sm\n0.340119 0.359984 0.340119 Sm\n0.904332 0.901688 0.904331 Fe\n0.095669 0.098310 0.095669 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.000000 -0.000000 0.500000 Fe\n0.716990 0.283263 0.999749 Co\n0.000252 0.716735 0.283011 Co\n0.283011 0.716735 0.000251 Co\n0.999749 0.283263 0.716989 Co\n0.717285 -0.000001 0.282716 Co\n0.342722 0.348774 0.856396 Co\n0.143605 0.651224 0.657279 Co\n0.655341 0.145654 0.655341 Co\n0.282716 -0.000001 0.717285 Co\n0.856396 0.348774 0.342721 Co\n0.344660 0.854344 0.344659 Co\n0.657279 0.651224 0.143604 Co\n0.500001 -0.000001 0.500000 C\n",
"nsites": 20,
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"elements": [
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],
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"density": 8.625328749111883,
"density_atomic": 0.07996425711977442,
"volume": 250.11174642744456,
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"formula_full": "Sm2 Fe5 Co12 C1",
"formula_reduced": "Sm2Fe5Co12C",
"formula_anonymous": "AB2C5D12",
"energy_above_hull": 4.1486198025,
"spacegroup": 12
},
{
"id": "jvasp-35440",
"created_at": "2022-09-04T14:37:42.729313Z",
"updated_at": "2022-09-04T14:37:42.729339Z",
"structure_string": "Sm2 Fe2 Si2 C1\n1.0\n0.000000 -3.974566 -0.000000\n4.155410 -1.987283 -3.406733\n4.172100 -1.987283 3.486785\nSm Fe Si C\n2 2 2 1\ndirect\n0.440754 0.821759 0.296734 Sm\n0.559246 0.178241 0.703266 Sm\n0.802662 0.304526 0.090151 Fe\n0.197337 0.695475 0.909849 Fe\n0.829025 0.612218 0.729732 Si\n0.170974 0.387783 0.270268 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "C-Fe-Si-Sm",
"density": 6.995514759785013,
"density_atomic": 0.06136098940254071,
"volume": 114.07899494707559,
"volume_molar": 9.814282361865972,
"formula_full": "Sm2 Fe2 Si2 C1",
"formula_reduced": "Sm2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.525543707142857,
"spacegroup": 12
},
{
"id": "jvasp-90242",
"created_at": "2022-09-04T14:36:08.650839Z",
"updated_at": "2022-09-04T14:36:08.650864Z",
"structure_string": "Sm2 Fe2 Se2 O3\n1.0\n3.975668 -0.000000 0.000000\n-0.000000 3.975668 0.000000\n-1.987835 -1.987835 9.329493\nSm Fe Se O\n2 2 2 3\ndirect\n0.312809 0.312809 0.625617 Sm\n0.687192 0.687192 0.374383 Sm\n-0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 -0.000000 Fe\n0.900603 0.900603 0.801204 Se\n0.099398 0.099398 0.198796 Se\n0.750001 0.250001 0.500000 O\n0.250001 0.750001 0.500000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 9,
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],
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"density_atomic": 0.061032933697865825,
"volume": 147.46136970169448,
"volume_molar": 9.867034722288928,
"formula_full": "Sm2 Fe2 Se2 O3",
"formula_reduced": "Sm2Fe2Se2O3",
"formula_anonymous": "A2B2C2D3",
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},
{
"id": "jvasp-90120",
"created_at": "2022-09-04T14:36:04.240772Z",
"updated_at": "2022-09-04T14:36:04.240791Z",
"structure_string": "Sm2 Fe2 O5\n1.0\n7.135911 -0.020068 0.004384\n0.010686 3.895643 0.002693\n-0.002246 -0.002855 3.833283\nSm Fe O\n2 2 5\ndirect\n-0.000009 0.984634 0.000032 Sm\n0.499976 0.111897 0.999911 Sm\n0.206100 0.495173 0.500007 Fe\n0.793904 0.495128 0.500005 Fe\n0.216656 0.483339 0.000006 O\n0.783369 0.483257 0.000002 O\n0.500006 0.462438 0.499940 O\n0.218110 0.992080 0.500035 O\n0.781887 0.992041 0.500042 O\n",
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],
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"volume": 106.5622026845781,
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"formula_full": "Sm2 Fe2 O5",
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"formula_anonymous": "A2B2C5",
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"spacegroup": 25
},
{
"id": "jvasp-85844",
"created_at": "2022-09-04T14:36:06.407163Z",
"updated_at": "2022-09-04T14:36:06.407198Z",
"structure_string": "Sm2 Fe17\n1.0\n6.240972 0.033997 0.794405\n0.703953 6.201237 0.794405\n0.037866 0.033997 6.291214\nSm Fe\n2 17\ndirect\n0.344551 0.344552 0.344552 Sm\n0.655448 0.655450 0.655449 Sm\n0.847528 0.335686 0.335686 Fe\n0.152472 0.664315 0.664315 Fe\n0.664314 0.664315 0.152473 Fe\n0.664314 0.152472 0.664315 Fe\n0.290726 0.000000 0.709274 Fe\n-0.000000 0.709275 0.290726 Fe\n0.709274 0.290726 0.000001 Fe\n0.335686 0.335686 0.847528 Fe\n0.290725 0.709275 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909184 0.909185 0.909185 Fe\n0.090816 0.090816 0.090816 Fe\n0.335685 0.847529 0.335686 Fe\n0.000000 0.290726 0.709274 Fe\n0.709274 0.000000 0.290726 Fe\n",
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],
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"density": 8.542611966232949,
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"volume": 242.9953493470027,
"volume_molar": 7.701853672594866,
"formula_full": "Sm2 Fe17",
"formula_reduced": "Sm2Fe17",
"formula_anonymous": "A2B17",
"energy_above_hull": 4.07868375,
"spacegroup": 166
},
{
"id": "jvasp-86343",
"created_at": "2022-09-04T14:35:51.062641Z",
"updated_at": "2022-09-04T14:35:51.062656Z",
"structure_string": "Sm2 Fe17\n1.0\n6.240972 0.033997 0.794405\n0.703953 6.201237 0.794405\n0.037866 0.033997 6.291214\nSm Fe\n2 17\ndirect\n0.344551 0.344552 0.344552 Sm\n0.655448 0.655450 0.655449 Sm\n0.847528 0.335686 0.335686 Fe\n0.152472 0.664315 0.664315 Fe\n0.664314 0.664315 0.152473 Fe\n0.664314 0.152472 0.664315 Fe\n0.290726 0.000000 0.709274 Fe\n-0.000000 0.709275 0.290726 Fe\n0.709274 0.290726 0.000001 Fe\n0.335686 0.335686 0.847528 Fe\n0.290725 0.709275 0.000001 Fe\n-0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909184 0.909185 0.909185 Fe\n0.090816 0.090816 0.090816 Fe\n0.335685 0.847529 0.335686 Fe\n0.000000 0.290726 0.709274 Fe\n0.709274 0.000000 0.290726 Fe\n",
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],
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"density": 8.542611966232949,
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"volume": 242.9953493470027,
"volume_molar": 7.701853672594866,
"formula_full": "Sm2 Fe17",
"formula_reduced": "Sm2Fe17",
"formula_anonymous": "A2B17",
"energy_above_hull": 4.07868375,
"spacegroup": 166
}
]
}