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=spacegroup&page=4550",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=4548",
"results": [
{
"id": "jvasp-111295",
"created_at": "2022-09-04T14:38:49.756818Z",
"updated_at": "2022-09-04T14:38:49.756840Z",
"structure_string": "Pr2 Zn1 In1\n1.0\n4.671371 -0.000000 2.697018\n1.557124 4.404211 2.697018\n-0.000000 -0.000000 5.394035\nPr Zn In\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Pr\n0.749999 0.750000 0.750002 Pr\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500001 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Zn",
"In"
],
"chemical_system": "In-Pr-Zn",
"density": 6.913605537803352,
"density_atomic": 0.036044064123267806,
"volume": 110.97527699208172,
"volume_molar": 16.707718473157637,
"formula_full": "Pr2 Zn1 In1",
"formula_reduced": "Pr2ZnIn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4203849625000001,
"spacegroup": 225
},
{
"id": "jvasp-113788",
"created_at": "2022-09-04T14:38:49.800514Z",
"updated_at": "2022-09-04T14:38:49.800532Z",
"structure_string": "Ba2 Zr1 In1 O6\n1.0\n5.211313 0.000000 3.008753\n1.737104 4.913273 3.008753\n-0.000000 -0.000000 6.017505\nBa Zr In O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750001 Ba\n0.499999 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.254223 0.254224 0.745777 O\n0.745775 0.745776 0.254224 O\n0.254223 0.745776 0.254224 O\n0.745776 0.254224 0.745777 O\n0.745776 0.254224 0.254224 O\n0.254223 0.745776 0.745777 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Zr",
"In",
"O"
],
"chemical_system": "Ba-In-O-Zr",
"density": 6.215252994493797,
"density_atomic": 0.06490310675983915,
"volume": 154.07582932821663,
"volume_molar": 9.278663319282568,
"formula_full": "Ba2 Zr1 In1 O6",
"formula_reduced": "Ba2ZrInO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.853922741,
"spacegroup": 225
},
{
"id": "jvasp-117061",
"created_at": "2022-09-04T14:38:49.791086Z",
"updated_at": "2022-09-04T14:38:49.791107Z",
"structure_string": "Ba4 Fe2 Mo2 O12\n1.0\n5.634279 0.000270 0.000716\n-0.000380 7.969235 0.000203\n-0.000728 -0.000139 5.634286\nBa Fe Mo O\n4 2 2 12\ndirect\n-0.000007 0.250001 0.500012 Ba\n0.500007 0.750001 -0.000011 Ba\n0.499996 0.249999 0.000011 Ba\n0.000004 0.750000 0.499988 Ba\n0.500001 0.500000 0.500000 Fe\n-0.000001 -0.000000 -0.000000 Fe\n-0.000003 0.500001 -0.000000 Mo\n0.500007 -0.000000 0.500002 Mo\n0.752666 0.499990 0.752641 O\n0.252657 0.999992 0.252646 O\n0.247360 0.499982 0.752666 O\n0.747352 -0.000016 0.252659 O\n0.247334 0.500011 0.247360 O\n0.000013 0.747320 -0.000037 O\n0.499995 0.752681 0.500018 O\n-0.000011 0.252680 0.000036 O\n0.252647 0.000016 0.747343 O\n0.500004 0.247320 0.499982 O\n0.747342 0.000008 0.747353 O\n0.752640 0.500018 0.247335 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"Mo",
"O"
],
"chemical_system": "Ba-Fe-Mo-O",
"density": 6.8583210438668685,
"density_atomic": 0.07905623301504726,
"volume": 252.98447999910744,
"volume_molar": 7.617540743250148,
"formula_full": "Ba4 Fe2 Mo2 O12",
"formula_reduced": "Ba2FeMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.555545434,
"spacegroup": 225
},
{
"id": "jvasp-111301",
"created_at": "2022-09-04T14:38:49.910626Z",
"updated_at": "2022-09-04T14:38:49.910641Z",
"structure_string": "Tb2 Zn1 Ir1\n1.0\n4.269612 -0.000000 2.465061\n1.423204 4.025429 2.465061\n-0.000000 -0.000000 4.930123\nTb Zn Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tb\n0.749999 0.750000 0.750000 Tb\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Zn",
"Ir"
],
"chemical_system": "Ir-Tb-Zn",
"density": 11.277647244508858,
"density_atomic": 0.047206484065491196,
"volume": 84.73412242374715,
"volume_molar": 12.757020310271942,
"formula_full": "Tb2 Zn1 Ir1",
"formula_reduced": "Tb2ZnIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.298232075,
"spacegroup": 225
},
{
"id": "jvasp-110666",
"created_at": "2022-09-04T14:38:50.090125Z",
"updated_at": "2022-09-04T14:38:50.090135Z",
"structure_string": "Na2 In1 Cu1 Br6\n1.0\n6.506439 -0.000000 3.756495\n2.168813 6.134330 3.756495\n-0.000000 -0.000000 7.512989\nNa In Cu Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.744333 0.255667 0.255666 Br\n0.255667 0.255667 0.744333 Br\n0.255667 0.744333 0.744333 Br\n0.255667 0.744333 0.255667 Br\n0.744333 0.255667 0.744333 Br\n0.744333 0.744333 0.255666 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"In",
"Cu",
"Br"
],
"chemical_system": "Br-Cu-In-Na",
"density": 3.8972213908798854,
"density_atomic": 0.03334853415503384,
"volume": 299.8632549638029,
"volume_molar": 18.058187301437897,
"formula_full": "Na2 In1 Cu1 Br6",
"formula_reduced": "Na2InCuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-118783",
"created_at": "2022-09-04T14:38:50.151285Z",
"updated_at": "2022-09-04T14:38:50.151306Z",
"structure_string": "Na2 F2\n1.0\n5.604760 0.526424 0.657235\n0.206626 -3.171746 0.778005\n-0.678148 0.889531 -3.075117\nNa F\n2 2\ndirect\n0.070477 0.102978 0.122152 Na\n0.570477 0.603076 0.122243 Na\n0.820484 0.352997 0.622236 F\n0.320481 0.852976 0.622218 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"F"
],
"chemical_system": "F-Na",
"density": 2.8141895205341014,
"density_atomic": 0.08072485379973338,
"volume": 49.55103430627968,
"volume_molar": 7.46008258490013,
"formula_full": "Na2 F2",
"formula_reduced": "NaF",
"formula_anonymous": "AB",
"energy_above_hull": 0.001875,
"spacegroup": 225
},
{
"id": "jvasp-119439",
"created_at": "2022-09-04T14:38:50.195847Z",
"updated_at": "2022-09-04T14:38:50.195868Z",
"structure_string": "Hf6 Ga16 Pd7\n1.0\n7.632112 0.000000 4.406402\n2.544037 7.195625 4.406402\n-0.000000 0.000000 8.812804\nHf Ga Pd\n6 16 7\ndirect\n0.683686 0.683685 0.316314 Hf\n0.316315 0.683685 0.316314 Hf\n0.683686 0.316314 0.316314 Hf\n0.316314 0.316314 0.683685 Hf\n0.683686 0.316314 0.683685 Hf\n0.316315 0.683685 0.683685 Hf\n0.340897 0.340897 0.340897 Ga\n0.977308 0.340897 0.340897 Ga\n0.340898 0.977308 0.340897 Ga\n0.340897 0.340897 0.977308 Ga\n0.659103 0.659102 0.659102 Ga\n0.022692 0.659102 0.659102 Ga\n0.659103 0.022692 0.659102 Ga\n0.659103 0.659102 0.022691 Ga\n0.634935 0.121688 0.121688 Ga\n0.121689 0.634934 0.121688 Ga\n0.121688 0.121688 0.634934 Ga\n0.878312 0.878311 0.878311 Ga\n0.365066 0.878311 0.878311 Ga\n0.878311 0.365065 0.878311 Ga\n0.878312 0.878311 0.365065 Ga\n0.121688 0.121688 0.121688 Ga\n0.000000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 -0.000000 Pd\n0.500000 0.000000 -0.000000 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Hf",
"Ga",
"Pd"
],
"chemical_system": "Ga-Hf-Pd",
"density": 10.05782150398789,
"density_atomic": 0.05991983787023153,
"volume": 483.9799477229117,
"volume_molar": 10.050328862775226,
"formula_full": "Hf6 Ga16 Pd7",
"formula_reduced": "Hf6Ga16Pd7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 1.6454398310344829,
"spacegroup": 225
},
{
"id": "jvasp-118799",
"created_at": "2022-09-04T14:38:50.202520Z",
"updated_at": "2022-09-04T14:38:50.202547Z",
"structure_string": "Na2 Se2\n1.0\n4.162598 -0.000000 0.000000\n0.000000 4.162598 0.000000\n0.000000 0.000000 5.885715\nNa Se\n2 2\ndirect\n0.000000 0.000000 0.250427 Na\n0.500001 0.500001 0.749574 Na\n0.000000 0.000000 0.750519 Se\n0.500001 0.500001 0.249481 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Se"
],
"chemical_system": "Na-Se",
"density": 3.319993009222332,
"density_atomic": 0.039222188283234094,
"volume": 101.98309107882793,
"volume_molar": 15.353913240415052,
"formula_full": "Na2 Se2",
"formula_reduced": "NaSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.2533908416666667,
"spacegroup": 225
},
{
"id": "jvasp-110712",
"created_at": "2022-09-04T14:38:50.230744Z",
"updated_at": "2022-09-04T14:38:50.230774Z",
"structure_string": "K2 Rb1 Bi1 Br6\n1.0\n7.355198 -0.000000 4.246526\n2.451733 6.934548 4.246526\n-0.000000 -0.000000 8.493052\nK Rb Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.762792 0.237208 0.237209 Br\n0.237208 0.237208 0.762792 Br\n0.237208 0.762792 0.762792 Br\n0.237208 0.762792 0.237209 Br\n0.762792 0.237208 0.762792 Br\n0.762792 0.762792 0.237209 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-K-Rb",
"density": 3.266235167449528,
"density_atomic": 0.023084671027082164,
"volume": 433.1878928778467,
"volume_molar": 26.08718466438194,
"formula_full": "K2 Rb1 Bi1 Br6",
"formula_reduced": "K2RbBiBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110771",
"created_at": "2022-09-04T14:38:50.392753Z",
"updated_at": "2022-09-04T14:38:50.392790Z",
"structure_string": "Dy1 Er1 Al2\n1.0\n4.376196 -0.000000 2.526598\n1.458732 4.125917 2.526598\n-0.000000 -0.000000 5.053195\nDy Er Al\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Dy\n0.000000 0.000000 0.000000 Er\n0.750000 0.750001 0.750001 Al\n0.250000 0.250000 0.250000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Er",
"Al"
],
"chemical_system": "Al-Dy-Er",
"density": 6.98365175010046,
"density_atomic": 0.043840619418453575,
"volume": 91.23958678184879,
"volume_molar": 13.736440862113222,
"formula_full": "Dy1 Er1 Al2",
"formula_reduced": "DyErAl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.428935525,
"spacegroup": 225
},
{
"id": "jvasp-119060",
"created_at": "2022-09-04T14:38:50.388257Z",
"updated_at": "2022-09-04T14:38:50.388281Z",
"structure_string": "Sc6 Al16 Os7\n1.0\n7.584929 -0.000000 4.379161\n2.528310 7.151139 4.379161\n-0.000000 -0.000000 8.758321\nSc Al Os\n6 16 7\ndirect\n0.713971 0.713971 0.286029 Sc\n0.286029 0.713971 0.286029 Sc\n0.713971 0.286029 0.286029 Sc\n0.286029 0.286029 0.713971 Sc\n0.713971 0.286029 0.713971 Sc\n0.286029 0.713971 0.713971 Sc\n0.338203 0.338203 0.338203 Al\n0.985391 0.338203 0.338203 Al\n0.338203 0.985391 0.338203 Al\n0.338203 0.338203 0.985391 Al\n0.661797 0.661797 0.661797 Al\n0.014609 0.661797 0.661797 Al\n0.661797 0.014609 0.661797 Al\n0.661797 0.661797 0.014609 Al\n0.637344 0.120886 0.120886 Al\n0.120886 0.637344 0.120886 Al\n0.120886 0.120886 0.637344 Al\n0.879115 0.879114 0.879114 Al\n0.362656 0.879114 0.879114 Al\n0.879115 0.362656 0.879114 Al\n0.879115 0.879114 0.362656 Al\n0.120886 0.120886 0.120886 Al\n0.000000 0.500000 -0.000000 Os\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 -0.000000 Os\n0.500000 0.000000 -0.000000 Os\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Os"
],
"chemical_system": "Al-Os-Sc",
"density": 7.106398840817329,
"density_atomic": 0.06104504242883905,
"volume": 475.0590522368078,
"volume_molar": 9.865077523731896,
"formula_full": "Sc6 Al16 Os7",
"formula_reduced": "Sc6Al16Os7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.7196665965517246,
"spacegroup": 225
},
{
"id": "jvasp-110805",
"created_at": "2022-09-04T14:38:50.547452Z",
"updated_at": "2022-09-04T14:38:50.547473Z",
"structure_string": "Ho1 Lu1 Pd2\n1.0\n4.222293 -0.000000 2.437742\n1.407431 3.980816 2.437742\n-0.000000 -0.000000 4.875484\nHo Lu Pd\n1 1 2\ndirect\n0.499999 0.500001 0.499999 Ho\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Pd\n0.749999 0.750001 0.749999 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Lu",
"Pd"
],
"chemical_system": "Ho-Lu-Pd",
"density": 11.20030060651574,
"density_atomic": 0.04881145845557188,
"volume": 81.94797136907503,
"volume_molar": 12.337555464525495,
"formula_full": "Ho1 Lu1 Pd2",
"formula_reduced": "HoLuPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2679331791666666,
"spacegroup": 225
}
]
}