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=3411",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3409",
"results": [
{
"id": "jvasp-111323",
"created_at": "2022-09-04T14:38:49.861005Z",
"updated_at": "2022-09-04T14:38:49.861033Z",
"structure_string": "Li4 Al2\n1.0\n5.328274 0.000361 0.000000\n-3.348069 4.144989 0.000000\n-0.000000 -0.000000 4.457474\nLi Al\n4 2\ndirect\n0.241884 0.758116 0.250000 Li\n0.758115 0.241884 0.749999 Li\n0.589892 0.410108 0.250000 Li\n0.410107 0.589893 0.749999 Li\n0.923001 0.076998 0.250000 Al\n0.076998 0.923002 0.749999 Al\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Al"
],
"chemical_system": "Al-Li",
"density": 1.3784548563476429,
"density_atomic": 0.06094368816434184,
"volume": 98.4515407702319,
"volume_molar": 9.881483942620257,
"formula_full": "Li4 Al2",
"formula_reduced": "Li2Al",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8244709333333335,
"spacegroup": 63
},
{
"id": "jvasp-111318",
"created_at": "2022-09-04T14:38:49.712214Z",
"updated_at": "2022-09-04T14:38:49.712233Z",
"structure_string": "Ce2 Al4 Ni2\n1.0\n5.727040 -0.130321 0.000000\n-4.198058 3.897728 0.000000\n-0.000000 -0.000000 6.869382\nCe Al Ni\n2 4 2\ndirect\n0.551209 0.448792 0.250000 Ce\n0.448791 0.551209 0.750000 Ce\n0.833522 0.166478 0.055406 Al\n0.166478 0.833523 0.944593 Al\n0.166478 0.833523 0.555406 Al\n0.833522 0.166478 0.444593 Al\n0.281620 0.718380 0.250000 Ni\n0.718380 0.281621 0.750000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Ni"
],
"chemical_system": "Al-Ce-Ni",
"density": 5.612108835411767,
"density_atomic": 0.05348194511260472,
"volume": 149.58319079749674,
"volume_molar": 11.260137878905777,
"formula_full": "Ce2 Al4 Ni2",
"formula_reduced": "CeAl2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4998383750000002,
"spacegroup": 63
},
{
"id": "jvasp-116491",
"created_at": "2022-09-04T14:38:49.359189Z",
"updated_at": "2022-09-04T14:38:49.359214Z",
"structure_string": "Y6 In10\n1.0\n6.382741 -0.012995 0.000000\n-1.278774 6.253342 0.000000\n0.000000 -0.000000 10.343772\nY In\n6 10\ndirect\n0.619178 0.619177 0.250000 Y\n0.380822 0.380822 0.750000 Y\n0.204726 0.795274 0.500000 Y\n0.204726 0.795274 -0.000000 Y\n0.795275 0.204725 0.500000 Y\n0.795275 0.204725 -0.000000 Y\n0.004563 0.004563 0.250000 In\n0.995438 0.995436 0.750000 In\n0.306368 0.306368 0.044037 In\n0.693632 0.693631 0.955963 In\n0.306368 0.306368 0.455963 In\n0.693632 0.693631 0.544037 In\n0.506653 0.071053 0.250000 In\n0.928947 0.493346 0.750000 In\n0.493347 0.928946 0.750000 In\n0.071053 0.506653 0.250000 In\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Y",
"In"
],
"chemical_system": "In-Y",
"density": 6.766408392833731,
"density_atomic": 0.03877059742898059,
"volume": 412.68386511991633,
"volume_molar": 15.532752032081191,
"formula_full": "Y6 In10",
"formula_reduced": "Y3In5",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.8481682749999997,
"spacegroup": 63
},
{
"id": "jvasp-117244",
"created_at": "2022-09-04T14:38:48.873298Z",
"updated_at": "2022-09-04T14:38:48.873329Z",
"structure_string": "V2 Ni4 N6\n1.0\n5.627352 -0.012668 0.000000\n-3.383309 5.173241 0.000000\n0.000000 -0.000000 4.011079\nV Ni N\n2 4 6\ndirect\n-0.000000 0.682869 0.428689 V\n-0.000000 0.317130 0.928689 V\n0.301856 0.302490 0.428613 Ni\n0.698144 0.000634 0.428613 Ni\n0.698143 0.697509 0.928613 Ni\n0.301855 0.999365 0.928613 Ni\n0.339698 0.333136 0.928688 N\n0.660301 0.993436 0.928688 N\n0.660301 0.666863 0.428688 N\n0.339698 0.006563 0.428688 N\n-0.000000 0.636187 0.928710 N\n-0.000000 0.363813 0.428709 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"Ni",
"N"
],
"chemical_system": "N-Ni-V",
"density": 5.991425463966511,
"density_atomic": 0.10291841775698851,
"volume": 116.59720642358164,
"volume_molar": 5.851373244213207,
"formula_full": "V2 Ni4 N6",
"formula_reduced": "VNi2N3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 4.016053125,
"spacegroup": 63
},
{
"id": "jvasp-119547",
"created_at": "2022-09-04T14:38:48.748806Z",
"updated_at": "2022-09-04T14:38:48.748821Z",
"structure_string": "Na2 Mn2 O8\n1.0\n5.217959 0.066317 0.000000\n-2.062925 4.793311 0.000000\n-0.000000 -0.000000 7.079207\nNa Mn O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.371696 0.628304 0.750000 Mn\n0.628303 0.371697 0.250000 Mn\n0.290636 0.250347 0.250000 O\n0.250347 0.290636 0.750000 O\n0.266366 0.733633 0.563087 O\n0.733633 0.266367 0.063087 O\n0.733633 0.266367 0.436914 O\n0.266366 0.733633 0.936914 O\n0.749653 0.709364 0.250000 O\n0.709364 0.749654 0.750000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 2.647581562449548,
"density_atomic": 0.06740487852319209,
"volume": 178.02865701881123,
"volume_molar": 8.934280265675362,
"formula_full": "Na2 Mn2 O8",
"formula_reduced": "NaMnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.169593373563219,
"spacegroup": 63
},
{
"id": "jvasp-117174",
"created_at": "2022-09-04T14:38:48.665187Z",
"updated_at": "2022-09-04T14:38:48.665212Z",
"structure_string": "Y4 Ga18 Ir6\n1.0\n7.572701 0.004755 0.000000\n-3.774928 6.564735 0.000000\n-0.000000 0.000000 9.517489\nY Ga Ir\n4 18 6\ndirect\n0.997272 0.669326 0.250000 Y\n0.002728 0.330674 0.750000 Y\n0.669326 0.997272 0.250000 Y\n0.330674 0.002728 0.750000 Y\n0.453618 0.661104 0.750000 Ga\n0.546382 0.338896 0.250000 Ga\n0.661104 0.453618 0.750000 Ga\n0.338896 0.546382 0.250000 Ga\n0.332039 0.332039 0.932361 Ga\n0.667961 0.667961 0.067639 Ga\n0.667961 0.667961 0.432361 Ga\n0.332039 0.332039 0.567639 Ga\n0.334569 0.999059 0.080820 Ga\n0.665431 0.000941 0.580820 Ga\n0.999059 0.334570 0.419180 Ga\n0.334569 0.999059 0.419180 Ga\n0.000940 0.665430 0.580820 Ga\n0.000940 0.665430 0.919180 Ga\n0.999059 0.334570 0.080820 Ga\n0.870960 0.870960 0.750000 Ga\n0.129040 0.129040 0.250000 Ga\n0.665431 0.000941 0.919180 Ga\n0.000000 0.000000 0.000000 Ir\n0.671073 0.328927 -0.000000 Ir\n0.328926 0.671073 -0.000000 Ir\n0.328926 0.671073 0.500000 Ir\n0.671073 0.328927 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Y",
"density": 9.696844680961084,
"density_atomic": 0.05915764221422465,
"volume": 473.3116289287694,
"volume_molar": 10.17981875983549,
"formula_full": "Y4 Ga18 Ir6",
"formula_reduced": "Y2(Ga3Ir)3",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 1.3411596517857145,
"spacegroup": 63
},
{
"id": "jvasp-110900",
"created_at": "2022-09-04T14:38:48.644478Z",
"updated_at": "2022-09-04T14:38:48.644505Z",
"structure_string": "Th2 Mn4 Si2 C2\n1.0\n5.729012 0.066673 0.000000\n-4.389283 3.682420 0.000000\n0.000000 0.000000 6.758043\nTh Mn Si C\n2 4 2 2\ndirect\n0.556119 0.443881 0.250000 Th\n0.443881 0.556119 0.750000 Th\n0.834229 0.165770 0.071661 Mn\n0.165771 0.834230 0.928338 Mn\n0.165771 0.834230 0.571661 Mn\n0.834229 0.165770 0.428338 Mn\n0.272542 0.727458 0.250000 Si\n0.727458 0.272541 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Th",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Mn-Si-Th",
"density": 8.776820311261359,
"density_atomic": 0.06918038654961646,
"volume": 144.54964042197074,
"volume_molar": 8.704982814284936,
"formula_full": "Th2 Mn4 Si2 C2",
"formula_reduced": "ThMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.377457736551724,
"spacegroup": 63
},
{
"id": "jvasp-110651",
"created_at": "2022-09-04T14:38:36.860041Z",
"updated_at": "2022-09-04T14:38:36.860062Z",
"structure_string": "Ca2 Sn2 S6\n1.0\n9.394606 -0.000000 0.000000\n0.000000 3.734219 -0.581382\n-0.000000 -0.912192 6.389985\nCa Sn S\n2 2 6\ndirect\n0.750010 0.753626 0.006980 Ca\n0.250010 0.246375 0.993021 Ca\n-0.000005 0.500004 0.499983 Sn\n0.499995 0.499997 0.500018 Sn\n0.749994 0.418636 0.337543 S\n0.249994 0.581365 0.662458 S\n0.048405 -0.143140 0.213555 S\n0.451597 0.856846 0.213589 S\n0.548405 0.143140 0.786445 S\n0.951597 0.143155 0.786412 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.863432628320118,
"density_atomic": 0.04562291429734687,
"volume": 219.18810216342393,
"volume_molar": 13.199816041453994,
"formula_full": "Ca2 Sn2 S6",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.974828424,
"spacegroup": 63
},
{
"id": "jvasp-30485",
"created_at": "2022-09-04T14:38:37.189087Z",
"updated_at": "2022-09-04T14:38:37.189116Z",
"structure_string": "Mg4 As2\n1.0\n4.212965 0.000000 0.000000\n2.106482 8.549328 0.000000\n0.000000 0.000000 4.580782\nMg As\n4 2\ndirect\n0.990714 0.018577 0.000000 Mg\n0.792169 0.415660 0.000000 Mg\n0.318943 0.362118 0.500001 Mg\n0.120399 0.759201 0.500001 Mg\n0.393126 0.213749 0.000000 As\n0.717985 0.564029 0.500001 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"As"
],
"chemical_system": "As-Mg",
"density": 2.4865529110904125,
"density_atomic": 0.03636568694070761,
"volume": 164.9906960311981,
"volume_molar": 16.559953259837474,
"formula_full": "Mg4 As2",
"formula_reduced": "Mg2As",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0410266166666667,
"spacegroup": 63
},
{
"id": "jvasp-110897",
"created_at": "2022-09-04T14:38:37.419012Z",
"updated_at": "2022-09-04T14:38:37.419040Z",
"structure_string": "Nd2 Si2 Os4 C2\n1.0\n5.926886 -0.002504 0.000000\n-4.589529 3.750227 0.000000\n-0.000000 -0.000000 7.204064\nNd Si Os C\n2 2 4 2\ndirect\n0.549163 0.450839 0.250000 Nd\n0.450839 0.549163 0.750000 Nd\n0.270434 0.729568 0.250000 Si\n0.729568 0.270434 0.750000 Si\n0.834049 0.165953 0.058796 Os\n0.165953 0.834049 0.941204 Os\n0.165953 0.834049 0.558795 Os\n0.834049 0.165953 0.441204 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Nd",
"Si",
"Os",
"C"
],
"chemical_system": "C-Nd-Os-Si",
"density": 11.72020767593563,
"density_atomic": 0.062483149189664584,
"volume": 160.04314970817944,
"volume_molar": 9.638023752164095,
"formula_full": "Nd2 Si2 Os4 C2",
"formula_reduced": "NdSiOs2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.74373402,
"spacegroup": 63
},
{
"id": "jvasp-30483",
"created_at": "2022-09-04T14:38:37.152483Z",
"updated_at": "2022-09-04T14:38:37.152498Z",
"structure_string": "P2 W8 Cl22\n1.0\n6.561811 4.973146 0.074942\n-6.561811 4.973146 -0.074942\n-0.142120 0.000000 11.413883\nP W Cl\n2 8 22\ndirect\n0.332530 0.667471 0.250071 P\n0.667470 0.332530 0.749929 P\n0.645837 0.092248 0.873269 W\n0.907753 0.354165 0.873269 W\n0.354165 0.907754 0.126729 W\n0.092248 0.645837 0.126729 W\n0.645829 0.092256 0.626820 W\n0.907743 0.354171 0.626820 W\n0.354171 0.907743 0.373181 W\n0.092257 0.645827 0.373181 W\n0.188926 0.470767 0.513934 Cl\n0.015595 0.612165 0.749950 Cl\n0.612164 0.015596 0.250049 Cl\n0.511542 0.488459 0.749813 Cl\n0.488458 0.511543 0.250186 Cl\n0.917332 0.770417 0.249782 Cl\n0.770418 0.917332 0.750217 Cl\n0.082669 0.229582 0.750217 Cl\n0.229582 0.082668 0.249782 Cl\n0.470768 0.188925 0.486066 Cl\n0.188947 0.470769 0.986312 Cl\n0.529234 0.811075 0.513934 Cl\n0.875724 0.124276 0.489409 Cl\n0.124276 0.875724 0.510591 Cl\n0.387836 0.984406 0.749950 Cl\n0.470769 0.188948 0.013686 Cl\n0.811054 0.529232 0.013686 Cl\n0.529233 0.811054 0.986312 Cl\n0.875718 0.124282 0.010934 Cl\n0.124282 0.875718 0.989064 Cl\n0.811076 0.529233 0.486066 Cl\n0.984405 0.387837 0.250049 Cl\n",
"nsites": 32,
"nelements": 3,
"elements": [
"P",
"W",
"Cl"
],
"chemical_system": "Cl-P-W",
"density": 5.154372723338626,
"density_atomic": 0.0429506641781974,
"volume": 745.0408651944392,
"volume_molar": 14.021065506728432,
"formula_full": "P2 W8 Cl22",
"formula_reduced": "PW4Cl11",
"formula_anonymous": "AB4C11",
"energy_above_hull": 2.73608564015625,
"spacegroup": 63
},
{
"id": "jvasp-110899",
"created_at": "2022-09-04T14:38:37.186694Z",
"updated_at": "2022-09-04T14:38:37.186716Z",
"structure_string": "Tm2 Si2 Os4 C2\n1.0\n5.923051 -0.012453 0.000000\n-4.682828 3.626818 0.000000\n-0.000000 0.000000 7.096937\nTm Si Os C\n2 2 4 2\ndirect\n0.546700 0.453301 0.250000 Tm\n0.453300 0.546701 0.750000 Tm\n0.268511 0.731490 0.250000 Si\n0.731490 0.268511 0.750000 Si\n0.835807 0.164194 0.056288 Os\n0.164193 0.835807 0.943712 Os\n0.164193 0.835807 0.556288 Os\n0.835807 0.164194 0.443712 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tm",
"Si",
"Os",
"C"
],
"chemical_system": "C-Os-Si-Tm",
"density": 12.876392475197335,
"density_atomic": 0.06577159414131989,
"volume": 152.04132012542584,
"volume_molar": 9.156142311315353,
"formula_full": "Tm2 Si2 Os4 C2",
"formula_reduced": "TmSiOs2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.680740570000001,
"spacegroup": 63
}
]
}