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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=3558",
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"results": [
{
"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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"Ga",
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"Co",
"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-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,
"nelements": 4,
"elements": [
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"Ga",
"Fe",
"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-15972",
"created_at": "2022-09-04T14:37:51.990532Z",
"updated_at": "2022-09-04T14:37:51.990562Z",
"structure_string": "Sm2 Ga2 Sb4\n1.0\n4.258478 -0.000000 -0.830512\n-0.000000 4.371809 0.000000\n0.010242 0.000000 11.385517\nSm Ga Sb\n2 2 4\ndirect\n0.137613 0.750000 0.275225 Sm\n0.862387 0.250000 0.724775 Sm\n0.156433 0.000000 0.000000 Ga\n0.843568 0.500000 0.000000 Ga\n0.750260 0.750000 0.500519 Sb\n0.249740 0.250000 0.499481 Sb\n0.592928 0.250000 0.185856 Sb\n0.407072 0.750000 0.814144 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sm",
"Ga",
"Sb"
],
"chemical_system": "Ga-Sb-Sm",
"density": 7.262410643601341,
"density_atomic": 0.0377350959055946,
"volume": 212.00423128681967,
"volume_molar": 15.9589915315603,
"formula_full": "Sm2 Ga2 Sb4",
"formula_reduced": "SmGaSb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9125433500000002,
"spacegroup": 20
},
{
"id": "jvasp-106333",
"created_at": "2022-09-04T14:38:40.787441Z",
"updated_at": "2022-09-04T14:38:40.787467Z",
"structure_string": "Sm2 Ga2 Si2\n1.0\n4.011799 -0.006160 -6.582283\n-0.321403 3.998909 -6.582283\n0.005693 0.006160 7.708498\nSm Ga Si\n2 2 2\ndirect\n0.624945 0.124945 0.500000 Sm\n0.874946 0.874945 0.000002 Sm\n0.458319 0.458318 0.000001 Ga\n0.208318 0.708318 0.500001 Ga\n0.041737 0.541737 0.500001 Si\n0.291737 0.291737 0.000001 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Ga",
"Si"
],
"chemical_system": "Ga-Si-Sm",
"density": 6.647926016727902,
"density_atomic": 0.04839624639948666,
"volume": 123.9765569931399,
"volume_molar": 12.44340461921418,
"formula_full": "Sm2 Ga2 Si2",
"formula_reduced": "SmGaSi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.027043266666667,
"spacegroup": 109
},
{
"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,
"nelements": 3,
"elements": [
"Sm",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Sm",
"density": 7.628416678635166,
"density_atomic": 0.04806759165089155,
"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-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,
"nelements": 3,
"elements": [
"Sm",
"Ga",
"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-111786",
"created_at": "2022-09-04T14:38:41.368808Z",
"updated_at": "2022-09-04T14:38:41.368832Z",
"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": [
"Sm",
"Ga",
"Fe",
"C"
],
"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-106748",
"created_at": "2022-09-04T14:36:55.383070Z",
"updated_at": "2022-09-04T14:36:55.383101Z",
"structure_string": "Sm2 Ga3 Ni1\n1.0\n4.345258 -0.006628 3.554750\n2.120680 3.792628 3.554750\n-0.004886 -0.002861 7.273585\nSm Ga Ni\n2 3 1\ndirect\n0.540024 0.540025 0.709472 Sm\n0.452212 0.452212 0.298890 Sm\n0.852377 0.852377 0.686079 Ga\n0.823648 0.823648 0.121417 Ga\n0.162866 0.162867 0.907006 Ga\n0.168871 0.168871 0.277134 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Sm",
"density": 7.8640680837596415,
"density_atomic": 0.04997536852669741,
"volume": 120.05914467233458,
"volume_molar": 12.050217812366718,
"formula_full": "Sm2 Ga3 Ni1",
"formula_reduced": "Sm2Ga3Ni",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.4045195208333333,
"spacegroup": 8
},
{
"id": "jvasp-40256",
"created_at": "2022-09-04T14:38:32.305384Z",
"updated_at": "2022-09-04T14:38:32.305410Z",
"structure_string": "Sm2 Ga6\n1.0\n3.205904 -5.552788 -0.000000\n3.205904 5.552788 0.000000\n-0.000000 0.000000 4.524085\nSm Ga\n2 6\ndirect\n0.333332 0.666666 0.749999 Sm\n0.666666 0.333332 0.250000 Sm\n0.709259 0.854629 0.250000 Ga\n0.145370 0.854629 0.250000 Ga\n0.145370 0.290740 0.250000 Ga\n0.290740 0.145370 0.749999 Ga\n0.854629 0.145370 0.749999 Ga\n0.854629 0.709259 0.749999 Ga\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Ga"
],
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"density": 7.412943022285414,
"density_atomic": 0.049666965770761,
"volume": 161.07285548555916,
"volume_molar": 12.125042604364692,
"formula_full": "Sm2 Ga6",
"formula_reduced": "SmGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-8749",
"created_at": "2022-09-04T14:37:07.402541Z",
"updated_at": "2022-09-04T14:37:07.402563Z",
"structure_string": "Sm2 Ge1 Rh3\n1.0\n4.711188 -0.021920 2.102096\n1.355358 4.512071 2.102096\n-0.029617 -0.021920 5.158801\nSm Ge Rh\n2 1 3\ndirect\n0.871794 0.871794 0.871795 Sm\n0.128206 0.128206 0.128206 Sm\n0.500000 0.500000 0.500001 Ge\n0.500000 0.000000 0.500000 Rh\n0.500001 0.500000 0.000000 Rh\n-0.000000 0.500000 0.500000 Rh\n",
"nsites": 6,
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"elements": [
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"Ge",
"Rh"
],
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"volume": 110.25191178759749,
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"formula_full": "Sm2 Ge1 Rh3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 166
},
{
"id": "jvasp-39040",
"created_at": "2022-09-04T14:38:00.738401Z",
"updated_at": "2022-09-04T14:38:00.738432Z",
"structure_string": "Sm2 Ge2\n1.0\n2.190565 5.466896 0.000000\n-2.190565 5.466896 0.000000\n0.000000 0.000000 4.040848\nSm Ge\n2 2\ndirect\n0.137860 0.137860 0.250001 Sm\n0.862141 0.862141 0.750000 Sm\n0.415383 0.415383 0.250001 Ge\n0.584618 0.584618 0.750000 Ge\n",
"nsites": 4,
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"volume": 96.78308617521667,
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"formula_full": "Sm2 Ge2",
"formula_reduced": "SmGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.3357824124999999,
"spacegroup": 63
},
{
"id": "jvasp-35063",
"created_at": "2022-09-04T14:37:40.218938Z",
"updated_at": "2022-09-04T14:37:40.218950Z",
"structure_string": "Sm2 Ge2 Au2\n1.0\n2.245508 -3.889334 -0.000000\n2.245508 3.889334 0.000000\n-0.000000 -0.000000 7.570479\nSm Ge Au\n2 2 2\ndirect\n0.000000 0.000000 0.749669 Sm\n0.000000 0.000000 0.249669 Sm\n0.666667 0.333334 0.961076 Ge\n0.333334 0.666667 0.461076 Ge\n0.666667 0.333334 0.529255 Au\n0.333334 0.666667 0.029255 Au\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Au-Ge-Sm",
"density": 10.547526174053463,
"density_atomic": 0.04537410260759464,
"volume": 132.23402018304006,
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"formula_full": "Sm2 Ge2 Au2",
"formula_reduced": "SmGeAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5301607983333332,
"spacegroup": 186
}
]
}