HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1107",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1105",
"results": [
{
"id": "jvasp-57375",
"created_at": "2022-09-04T14:36:51.810870Z",
"updated_at": "2022-09-04T14:36:51.810899Z",
"structure_string": "Ba1 Sr1 Fe4 O8\n1.0\n2.823927 -4.891185 0.000000\n2.823927 4.891185 -0.000000\n-0.000000 -0.000000 9.920978\nBa Sr Fe O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Sr\n0.666668 0.333333 0.317394 Fe\n0.666668 0.333333 0.682606 Fe\n0.333333 0.666668 0.181446 Fe\n0.333333 0.666668 0.818555 Fe\n0.499770 -0.000461 0.751763 O\n0.499770 0.500231 0.751763 O\n0.000461 0.500231 0.248237 O\n0.499770 0.500231 0.248237 O\n0.666668 0.333333 0.500000 O\n0.000461 0.500231 0.751763 O\n0.499770 -0.000461 0.248237 O\n0.333333 0.666668 0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-O-Sr",
"density": 3.491904911800196,
"density_atomic": 0.05108295337109788,
"volume": 274.06402872393494,
"volume_molar": 11.788943987344425,
"formula_full": "Ba1 Sr1 Fe4 O8",
"formula_reduced": "BaSr(FeO2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 2.744020877142857,
"spacegroup": 187
},
{
"id": "jvasp-50405",
"created_at": "2022-09-04T14:36:02.317849Z",
"updated_at": "2022-09-04T14:36:02.317876Z",
"structure_string": "Li4 V6 S12\n1.0\n5.599749 -0.000000 0.000541\n-2.799875 4.849559 -0.000270\n0.001491 0.000000 14.824251\nLi V S\n4 6 12\ndirect\n0.333280 0.666688 0.249999 Li\n0.333283 0.666689 0.750000 Li\n0.666594 0.333311 0.750000 Li\n0.666593 0.333312 0.249999 Li\n-0.000006 0.674706 -0.000000 V\n-0.000014 0.325293 0.500000 V\n0.325290 0.325295 -0.000000 V\n0.325278 -0.000000 0.500000 V\n0.674692 0.674707 0.500000 V\n0.674701 0.000000 -0.000001 V\n0.666612 0.333333 0.597082 S\n0.666622 0.333334 0.097082 S\n0.333372 0.666667 0.902917 S\n0.000038 -0.000000 0.898679 S\n0.333361 0.666666 0.402918 S\n0.333289 0.666666 0.097082 S\n0.000027 -0.000000 0.398681 S\n0.999956 0.000000 0.101320 S\n0.333279 0.666667 0.597082 S\n0.666704 0.333333 0.902917 S\n-0.000055 -0.000000 0.601319 S\n0.666696 0.333335 0.402918 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"S"
],
"chemical_system": "Li-S-V",
"density": 2.9624204811959856,
"density_atomic": 0.05464860962904889,
"volume": 402.5719986168821,
"volume_molar": 11.01975109866086,
"formula_full": "Li4 V6 S12",
"formula_reduced": "Li2(VS2)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.7438938727272726,
"spacegroup": 193
},
{
"id": "jvasp-30780",
"created_at": "2022-09-04T14:38:04.891847Z",
"updated_at": "2022-09-04T14:38:04.891862Z",
"structure_string": "Mg4 Ti12 O28\n1.0\n5.459642 0.000000 -0.000000\n0.000000 10.396875 0.000000\n-0.000000 0.000000 9.926486\nMg Ti O\n4 12 28\ndirect\n0.620150 0.750000 0.937100 Mg\n0.120150 0.250000 0.562901 Mg\n0.379849 0.250000 0.062900 Mg\n0.879849 0.750000 0.437100 Mg\n0.736030 0.970687 0.686341 Ti\n0.263970 0.470687 0.313659 Ti\n0.763970 0.529314 0.186341 Ti\n0.225140 0.750000 0.713286 Ti\n0.725140 0.250000 0.786715 Ti\n0.236030 0.029313 0.813659 Ti\n0.274859 0.750000 0.213285 Ti\n0.236030 0.470687 0.813659 Ti\n0.736030 0.529314 0.686341 Ti\n0.763970 0.970687 0.186341 Ti\n0.263970 0.029313 0.313659 Ti\n0.774859 0.250000 0.286715 Ti\n0.001637 0.616863 0.775477 O\n0.200508 0.750000 0.541733 O\n0.700508 0.250000 0.958267 O\n0.799491 0.250000 0.458267 O\n0.299491 0.750000 0.041733 O\n0.760736 0.906554 0.028834 O\n0.739264 0.593447 0.528835 O\n0.260736 0.093447 0.471166 O\n0.760736 0.593447 0.028834 O\n0.260736 0.406553 0.471166 O\n0.501637 0.383137 0.724523 O\n0.239264 0.406553 0.971166 O\n0.998363 0.116863 0.224523 O\n0.525668 0.122774 0.217321 O\n0.998363 0.383137 0.224523 O\n0.498363 0.616863 0.275477 O\n0.001637 0.883137 0.775477 O\n0.501637 0.116863 0.724523 O\n0.474331 0.622774 0.782680 O\n0.974331 0.377226 0.717321 O\n0.239264 0.093447 0.971166 O\n0.025669 0.877227 0.282679 O\n0.525668 0.377226 0.217321 O\n0.025669 0.622774 0.282679 O\n0.474331 0.877227 0.782680 O\n0.974331 0.122774 0.717321 O\n0.498363 0.883137 0.275477 O\n0.739264 0.906554 0.528835 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Ti",
"density": 3.299531335042297,
"density_atomic": 0.07808905252976002,
"volume": 563.459263169206,
"volume_molar": 7.7118886257519135,
"formula_full": "Mg4 Ti12 O28",
"formula_reduced": "MgTi3O7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.743861686363636,
"spacegroup": 62
},
{
"id": "jvasp-109614",
"created_at": "2022-09-04T14:38:11.285109Z",
"updated_at": "2022-09-04T14:38:11.285137Z",
"structure_string": "Y2 Cu1 Os1\n1.0\n4.194437 -0.000000 2.421659\n1.398146 3.954553 2.421659\n-0.000000 -0.000000 4.843319\nY Cu Os\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Y\n0.750002 0.749999 0.750000 Y\n0.500001 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cu",
"Os"
],
"chemical_system": "Cu-Os-Y",
"density": 8.920804173939096,
"density_atomic": 0.04979042585914479,
"volume": 80.33673002347574,
"volume_molar": 12.094977409987225,
"formula_full": "Y2 Cu1 Os1",
"formula_reduced": "Y2CuOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7437815875,
"spacegroup": 225
},
{
"id": "jvasp-34934",
"created_at": "2022-09-04T14:38:10.220768Z",
"updated_at": "2022-09-04T14:38:10.220792Z",
"structure_string": "Hf4 As8\n1.0\n3.720458 0.000000 0.000000\n-0.000000 6.845838 0.000000\n0.000000 0.000000 9.011186\nHf As\n4 8\ndirect\n0.250000 0.272190 0.338757 Hf\n0.750000 0.727810 0.661243 Hf\n0.250000 0.772190 0.161243 Hf\n0.750000 0.227810 0.838757 Hf\n0.250000 0.421157 0.648858 As\n0.750000 0.578843 0.351142 As\n0.250000 0.921157 0.851142 As\n0.750000 0.078843 0.148858 As\n0.750000 0.120138 0.542896 As\n0.250000 0.879862 0.457104 As\n0.750000 0.620138 0.957104 As\n0.250000 0.379862 0.042896 As\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hf",
"As"
],
"chemical_system": "As-Hf",
"density": 9.502084981482156,
"density_atomic": 0.05228489835180471,
"volume": 229.51177831994005,
"volume_molar": 11.517935292671629,
"formula_full": "Hf4 As8",
"formula_reduced": "HfAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7436455000000004,
"spacegroup": 62
},
{
"id": "jvasp-44692",
"created_at": "2022-09-04T14:38:09.416209Z",
"updated_at": "2022-09-04T14:38:09.416228Z",
"structure_string": "Li4 Mn1 Fe3 O8\n1.0\n5.031890 0.112825 0.016736\n-0.072343 5.508445 -0.007747\n0.000452 -0.037596 6.371487\nLi Mn Fe O\n4 1 3 8\ndirect\n0.990986 0.916315 0.377128 Li\n0.500199 0.578690 0.875236 Li\n0.993454 0.421162 0.124101 Li\n0.499121 0.086023 0.623537 Li\n0.497449 0.083619 0.126778 Mn\n-0.000286 0.916674 0.875551 Fe\n0.498538 0.582776 0.370957 Fe\n0.998937 0.416818 0.625628 Fe\n0.372470 0.927768 0.892557 O\n0.391232 0.911833 0.354523 O\n0.887067 0.586547 0.872855 O\n0.881751 0.579629 0.380365 O\n0.377737 0.424162 0.619830 O\n0.392954 0.401621 0.133404 O\n0.887133 0.087533 0.630504 O\n0.857660 0.078827 0.117051 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 3.5553504621002308,
"density_atomic": 0.0905721655383359,
"volume": 176.6547140051298,
"volume_molar": 6.648997210352719,
"formula_full": "Li4 Mn1 Fe3 O8",
"formula_reduced": "Li4MnFe3O8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 2.743602608836207,
"spacegroup": 1
},
{
"id": "jvasp-18416",
"created_at": "2022-09-04T14:36:07.163189Z",
"updated_at": "2022-09-04T14:36:07.163210Z",
"structure_string": "V1 H2\n1.0\n2.587006 0.000000 1.493609\n0.862335 2.439053 1.493609\n0.000000 0.000000 2.987217\nV H\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.750003 0.749999 0.750000 H\n0.250001 0.250000 0.250000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"H"
],
"chemical_system": "H-V",
"density": 4.665413509615197,
"density_atomic": 0.15916068847184828,
"volume": 18.8488754905746,
"volume_molar": 3.7836860457318093,
"formula_full": "V1 H2",
"formula_reduced": "VH2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7435714000000004,
"spacegroup": 225
},
{
"id": "jvasp-87062",
"created_at": "2022-09-04T14:35:59.762384Z",
"updated_at": "2022-09-04T14:35:59.762403Z",
"structure_string": "Zr4 Co4 P4\n1.0\n3.710715 0.000000 0.000000\n-0.000000 6.361405 0.000000\n0.000000 0.000000 7.162497\nZr Co P\n4 4 4\ndirect\n0.250000 0.518977 0.315961 Zr\n0.250000 0.018976 0.184040 Zr\n0.749999 0.981025 0.815961 Zr\n0.749999 0.481024 0.684040 Zr\n0.749999 0.361181 0.061373 Co\n0.250000 0.138820 0.561373 Co\n0.749999 0.861181 0.438627 Co\n0.250000 0.638820 0.938627 Co\n0.250000 0.774128 0.612884 P\n0.250000 0.274128 0.887116 P\n0.749999 0.225872 0.387116 P\n0.749999 0.725873 0.112884 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Co",
"P"
],
"chemical_system": "Co-P-Zr",
"density": 7.115848148695358,
"density_atomic": 0.07097512192745355,
"volume": 169.07332702106058,
"volume_molar": 8.484861450686152,
"formula_full": "Zr4 Co4 P4",
"formula_reduced": "ZrCoP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.743566966666667,
"spacegroup": 62
},
{
"id": "jvasp-74364",
"created_at": "2022-09-04T14:35:51.361568Z",
"updated_at": "2022-09-04T14:35:51.361592Z",
"structure_string": "Be2 Os1 Pd1\n1.0\n2.817316 -0.000000 0.000000\n0.000000 2.817316 -0.000000\n0.000000 -0.000000 5.669536\nBe Os Pd\n2 1 1\ndirect\n0.000000 0.000000 0.761715 Be\n0.000000 0.000000 0.238286 Be\n0.500001 0.500001 0.000000 Os\n0.500001 0.500001 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Os",
"Pd"
],
"chemical_system": "Be-Os-Pd",
"density": 11.611593400381198,
"density_atomic": 0.08888763487469575,
"volume": 45.00063485364157,
"volume_molar": 6.775003934449789,
"formula_full": "Be2 Os1 Pd1",
"formula_reduced": "Be2OsPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.743555725,
"spacegroup": 123
},
{
"id": "jvasp-68446",
"created_at": "2022-09-04T14:35:41.120261Z",
"updated_at": "2022-09-04T14:35:41.120281Z",
"structure_string": "Zr2 Be1 Ge1\n1.0\n-1.945976 1.945976 4.717116\n1.945976 -1.945976 4.717116\n1.945976 1.945976 -4.717116\nZr Be Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.750001 0.500001 Zr\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Ge"
],
"chemical_system": "Be-Ge-Zr",
"density": 6.137708957614808,
"density_atomic": 0.05598200958368529,
"volume": 71.45152576240692,
"volume_molar": 10.757278641449519,
"formula_full": "Zr2 Be1 Ge1",
"formula_reduced": "Zr2BeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7433702625,
"spacegroup": 119
},
{
"id": "jvasp-41814",
"created_at": "2022-09-04T14:37:35.102034Z",
"updated_at": "2022-09-04T14:37:35.102057Z",
"structure_string": "Pa1 Ga1 Fe2\n1.0\n-0.000166 3.129003 3.129512\n3.128650 0.000006 3.129339\n3.128629 3.128809 0.000028\nPa Ga Fe\n1 1 2\ndirect\n0.750000 0.749994 0.750000 Pa\n0.250010 0.249993 0.249998 Ga\n0.999967 0.999976 0.000006 Fe\n0.500024 0.500036 0.499994 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pa",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Pa",
"density": 11.17808511609549,
"density_atomic": 0.0652842136651223,
"volume": 61.27055493871983,
"volume_molar": 9.2244976571071,
"formula_full": "Pa1 Ga1 Fe2",
"formula_reduced": "PaGaFe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.74334660625,
"spacegroup": 225
},
{
"id": "jvasp-66780",
"created_at": "2022-09-04T14:36:19.698823Z",
"updated_at": "2022-09-04T14:36:19.698850Z",
"structure_string": "Be1 Bi1 Mo1\n1.0\n-1.662232 1.662232 4.780510\n1.662232 -1.662232 4.780510\n1.662232 1.662232 -4.780510\nBe Bi Mo\n1 1 1\ndirect\n0.047712 0.047712 0.000000 Be\n0.324788 0.324788 0.000000 Bi\n0.627499 0.627499 0.000000 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Bi",
"Mo"
],
"chemical_system": "Be-Bi-Mo",
"density": 9.866610625846414,
"density_atomic": 0.056781093878454855,
"volume": 52.83448759232739,
"volume_molar": 10.605890708782303,
"formula_full": "Be1 Bi1 Mo1",
"formula_reduced": "BeBiMo",
"formula_anonymous": "ABC",
"energy_above_hull": 2.743325433333333,
"spacegroup": 107
}
]
}