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=4102",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4100",
"results": [
{
"id": "jvasp-36166",
"created_at": "2022-09-04T14:37:31.235941Z",
"updated_at": "2022-09-04T14:37:31.235965Z",
"structure_string": "Cr1 Co2 Si1\n1.0\n2.819811 2.819811 -0.000000\n2.819811 0.000000 -2.819811\n-0.000000 2.819811 -2.819811\nCr Co Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Co",
"Si"
],
"chemical_system": "Co-Cr-Si",
"density": 7.330105019483179,
"density_atomic": 0.08920105574836118,
"volume": 44.84251858278582,
"volume_molar": 6.751198973461299,
"formula_full": "Cr1 Co2 Si1",
"formula_reduced": "CrCo2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.55760945,
"spacegroup": 225
},
{
"id": "jvasp-112361",
"created_at": "2022-09-04T14:38:27.315398Z",
"updated_at": "2022-09-04T14:38:27.315420Z",
"structure_string": "La1 Pr3 Co8 P8\n1.0\n3.799988 -0.000000 0.000000\n0.000000 3.799988 0.000000\n-0.000000 -0.000000 21.880685\nLa Pr Co P\n1 3 8 8\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.251653 Pr\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.748347 Pr\n-0.000000 0.500000 0.872479 Co\n0.500000 0.000000 0.624157 Co\n0.500000 0.000000 0.127521 Co\n-0.000000 0.500000 0.375842 Co\n-0.000000 0.500000 0.624157 Co\n0.500000 0.000000 0.375842 Co\n-0.000000 0.500000 0.127521 Co\n0.500000 0.000000 0.872479 Co\n0.000000 0.000000 0.676882 P\n0.500000 0.500000 0.074843 P\n0.000000 0.000000 0.323118 P\n0.500000 0.500000 0.571412 P\n0.000000 0.000000 0.819595 P\n0.000000 0.000000 0.180404 P\n0.500000 0.500000 0.428588 P\n0.500000 0.500000 0.925157 P\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Pr",
"Co",
"P"
],
"chemical_system": "Co-La-P-Pr",
"density": 6.731836503628245,
"density_atomic": 0.06330013429281686,
"volume": 315.9550958846788,
"volume_molar": 9.513630306284163,
"formula_full": "La1 Pr3 Co8 P8",
"formula_reduced": "LaPr3(CoP)8",
"formula_anonymous": "AB3C8D8",
"energy_above_hull": 3.5578012875,
"spacegroup": 123
},
{
"id": "jvasp-93275",
"created_at": "2022-09-04T14:36:09.968026Z",
"updated_at": "2022-09-04T14:36:09.968047Z",
"structure_string": "Sr1 P2 Os2\n1.0\n3.883682 -0.000000 -1.307763\n-0.440367 3.858635 -1.307763\n-0.024899 -0.027902 6.346649\nSr P Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.352974 0.352975 0.705950 P\n0.647024 0.647024 0.294051 P\n0.249999 0.749999 0.500000 Os\n0.749999 0.250000 0.500000 Os\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"P",
"Os"
],
"chemical_system": "Os-P-Sr",
"density": 9.281577869162348,
"density_atomic": 0.05272836399182227,
"volume": 94.8256236581787,
"volume_molar": 11.421065066486767,
"formula_full": "Sr1 P2 Os2",
"formula_reduced": "Sr(POs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.558013461999999,
"spacegroup": 139
},
{
"id": "jvasp-75507",
"created_at": "2022-09-04T14:35:40.815476Z",
"updated_at": "2022-09-04T14:35:40.815498Z",
"structure_string": "Cu1 Mo2 As1\n1.0\n0.000000 3.108005 3.108005\n3.108005 0.000000 3.108005\n3.108005 3.108005 -0.000000\nCu Mo As\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Mo\n0.499999 0.499999 0.499999 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Mo",
"As"
],
"chemical_system": "As-Cu-Mo",
"density": 9.135769453707496,
"density_atomic": 0.0666169690594362,
"volume": 60.04476121438619,
"volume_molar": 9.039950098340555,
"formula_full": "Cu1 Mo2 As1",
"formula_reduced": "CuMo2As",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.558041,
"spacegroup": 216
},
{
"id": "jvasp-28475",
"created_at": "2022-09-04T14:37:19.884599Z",
"updated_at": "2022-09-04T14:37:19.884630Z",
"structure_string": "Te4 Mo2 W1 S2\n1.0\n3.428977 0.000000 0.000000\n-1.714489 2.969583 0.000000\n0.000000 0.000000 31.528571\nTe Mo W S\n4 2 1 2\ndirect\n0.666647 0.333292 0.056667 Te\n0.666642 0.333283 0.519053 Te\n0.666642 0.333283 0.174912 Te\n0.666647 0.333292 0.637297 Te\n0.333308 0.666617 0.115642 Mo\n0.333308 0.666617 0.578323 Mo\n0.666692 0.333384 0.346982 W\n0.333357 0.666715 0.394632 S\n0.333357 0.666715 0.299333 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 4.914990107804648,
"density_atomic": 0.028033555428668543,
"volume": 321.0438298809626,
"volume_molar": 21.481901485251676,
"formula_full": "Te4 Mo2 W1 S2",
"formula_reduced": "Te4Mo2WS2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.558233651851852,
"spacegroup": 187
},
{
"id": "jvasp-46336",
"created_at": "2022-09-04T14:38:08.521540Z",
"updated_at": "2022-09-04T14:38:08.521568Z",
"structure_string": "V2 Cr4 O8\n1.0\n-4.192799 4.192799 -0.000000\n4.192799 0.000000 4.192799\n4.192799 4.192799 -0.000000\nV Cr O\n2 4 8\ndirect\n0.625000 0.250000 0.625000 V\n0.375000 0.750000 0.375000 V\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.781457 0.020971 0.239514 O\n0.760486 0.520971 0.218543 O\n0.239514 0.020971 0.239514 O\n0.239514 0.479029 0.239514 O\n0.760486 0.520971 0.760486 O\n0.760486 0.979029 0.760486 O\n0.239514 0.479029 0.781457 O\n0.218543 0.979029 0.760486 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-V",
"density": 4.932247075879428,
"density_atomic": 0.09496988468536136,
"volume": 147.41515214409813,
"volume_molar": 6.341105688346962,
"formula_full": "V2 Cr4 O8",
"formula_reduced": "VCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.558247571428572,
"spacegroup": 227
},
{
"id": "jvasp-37085",
"created_at": "2022-09-04T14:38:06.433322Z",
"updated_at": "2022-09-04T14:38:06.433344Z",
"structure_string": "Sm1 Ni1 C2\n1.0\n-3.731009 0.000000 0.000000\n0.000000 -2.265491 -3.053110\n0.000000 -2.265491 3.053110\nSm Ni C\n1 1 2\ndirect\n0.000000 0.001262 0.998737 Sm\n0.500000 0.387138 0.612862 Ni\n0.500000 0.848187 0.451587 C\n0.500000 0.548413 0.151813 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sm",
"Ni",
"C"
],
"chemical_system": "C-Ni-Sm",
"density": 7.4986543010535565,
"density_atomic": 0.07749950097930716,
"volume": 51.613235562226706,
"volume_molar": 7.770554240869174,
"formula_full": "Sm1 Ni1 C2",
"formula_reduced": "SmNiC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.55843531875,
"spacegroup": 38
},
{
"id": "jvasp-28501",
"created_at": "2022-09-04T14:37:44.974397Z",
"updated_at": "2022-09-04T14:37:44.974417Z",
"structure_string": "Te4 Mo2 W1 S2\n1.0\n3.438594 0.000000 0.000000\n-1.719297 2.974624 -0.137883\n0.000000 -1.042249 20.654445\nTe Mo W S\n4 2 1 2\ndirect\n0.528847 0.057693 -0.064953 Te\n0.743659 0.487320 0.577475 Te\n0.589609 0.179219 0.116074 Te\n0.804733 0.609469 0.759428 Te\n0.225859 0.451719 0.025462 Mo\n0.666561 0.333125 0.346966 Mo\n0.440873 0.881747 0.668473 W\n0.357545 0.715094 0.419410 S\n0.308901 0.617804 0.274506 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 7.486476868144546,
"density_atomic": 0.04270050593088938,
"volume": 210.77033641162166,
"volume_molar": 14.103207043370432,
"formula_full": "Te4 Mo2 W1 S2",
"formula_reduced": "Te4Mo2WS2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.558463651851852,
"spacegroup": 160
},
{
"id": "jvasp-61260",
"created_at": "2022-09-04T14:35:55.629340Z",
"updated_at": "2022-09-04T14:35:55.629364Z",
"structure_string": "Dy4 B8 Ru4\n1.0\n5.312498 0.000000 0.000000\n-0.000000 5.908853 0.000000\n0.000000 0.000000 6.378314\nDy B Ru\n4 8 4\ndirect\n0.250000 0.009940 0.661740 Dy\n0.750000 0.490059 0.161741 Dy\n0.750000 0.990059 0.338259 Dy\n0.250000 0.509940 0.838259 Dy\n0.085442 0.371725 0.462440 B\n0.914559 0.128274 0.962440 B\n0.585442 0.628274 0.537559 B\n0.414558 0.871725 0.037559 B\n0.914559 0.628274 0.537559 B\n0.085442 0.871725 0.037559 B\n0.414558 0.371725 0.462440 B\n0.585442 0.128274 0.962440 B\n0.250000 0.185195 0.183355 Ru\n0.750000 0.314804 0.683355 Ru\n0.750000 0.814804 0.816644 Ru\n0.250000 0.685195 0.316644 Ru\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Dy",
"B",
"Ru"
],
"chemical_system": "B-Dy-Ru",
"density": 9.46103320800735,
"density_atomic": 0.07991202240363572,
"volume": 200.22018613399595,
"volume_molar": 7.5359633993270245,
"formula_full": "Dy4 B8 Ru4",
"formula_reduced": "DyB2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.558683041666667,
"spacegroup": 62
},
{
"id": "jvasp-75640",
"created_at": "2022-09-04T14:36:19.527855Z",
"updated_at": "2022-09-04T14:36:19.527883Z",
"structure_string": "Ti2 As1 Ir1\n1.0\n0.000000 3.139396 3.139396\n3.139396 -0.000000 3.139396\n3.139396 3.139396 0.000000\nTi As Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.750001 0.750001 Ti\n0.500001 0.500001 0.500001 As\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"As",
"Ir"
],
"chemical_system": "As-Ir-Ti",
"density": 9.737219866848124,
"density_atomic": 0.06463856314253787,
"volume": 61.88256368229275,
"volume_molar": 9.316637727110772,
"formula_full": "Ti2 As1 Ir1",
"formula_reduced": "Ti2AsIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5589123791666677,
"spacegroup": 216
},
{
"id": "jvasp-117310",
"created_at": "2022-09-04T14:38:26.196961Z",
"updated_at": "2022-09-04T14:38:26.196982Z",
"structure_string": "Zr10 Sb6 Se2\n1.0\n8.579612 0.000000 0.000000\n-4.289805 7.430162 0.000000\n0.000000 0.000000 6.137639\nZr Sb Se\n10 6 2\ndirect\n0.736943 0.736942 0.250000 Zr\n0.666667 0.333333 -0.000000 Zr\n0.333334 0.666666 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.000000 0.736942 0.750000 Zr\n0.333334 0.666666 -0.000000 Zr\n0.263058 0.263058 0.750000 Zr\n0.000000 0.263058 0.250000 Zr\n0.263058 -0.000000 0.250000 Zr\n0.736942 -0.000000 0.750000 Zr\n0.394024 0.394023 0.250000 Sb\n0.605976 -0.000000 0.250000 Sb\n0.000000 0.605976 0.250000 Sb\n0.605977 0.605976 0.750000 Sb\n0.394023 -0.000000 0.750000 Sb\n0.000000 0.394023 0.750000 Sb\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Sb",
"Se"
],
"chemical_system": "Sb-Se-Zr",
"density": 7.642369193198509,
"density_atomic": 0.046005021028822236,
"volume": 391.26164052230223,
"volume_molar": 13.090181517854578,
"formula_full": "Zr10 Sb6 Se2",
"formula_reduced": "Zr5Sb3Se",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.5589771296296293,
"spacegroup": 193
},
{
"id": "jvasp-30790",
"created_at": "2022-09-04T14:38:35.785728Z",
"updated_at": "2022-09-04T14:38:35.785751Z",
"structure_string": "Cr12 O28\n1.0\n5.284221 0.000000 0.000000\n0.000000 10.309131 0.000000\n-0.000000 0.000000 9.314880\nCr O\n12 28\ndirect\n0.249900 0.016686 0.312684 Cr\n0.750100 0.983314 0.687316 Cr\n0.250100 0.016686 0.812684 Cr\n0.249900 0.483314 0.312684 Cr\n0.250145 0.750000 0.703645 Cr\n0.750145 0.250000 0.796355 Cr\n0.749900 0.516686 0.187316 Cr\n0.249854 0.750000 0.203645 Cr\n0.250100 0.483314 0.812684 Cr\n0.750100 0.516686 0.687316 Cr\n0.749900 0.983314 0.187316 Cr\n0.749854 0.250000 0.296355 Cr\n0.749785 0.250000 0.467244 O\n0.020139 0.617160 0.761301 O\n0.250215 0.750000 0.532756 O\n0.750215 0.250000 0.967244 O\n0.249785 0.750000 0.032756 O\n0.249997 0.460813 0.480221 O\n0.750003 0.539186 0.519779 O\n0.749997 0.960814 0.019779 O\n0.249997 0.039187 0.480221 O\n0.749997 0.539186 0.019779 O\n0.520139 0.382840 0.738699 O\n0.250003 0.460813 0.980221 O\n0.979861 0.117160 0.238699 O\n0.480117 0.617166 0.761367 O\n0.979861 0.382840 0.238699 O\n0.479861 0.617160 0.261301 O\n0.020139 0.882840 0.761301 O\n0.520139 0.117160 0.738699 O\n0.250003 0.039187 0.980221 O\n0.980117 0.382834 0.738634 O\n0.519883 0.117166 0.238634 O\n0.019883 0.882834 0.261366 O\n0.519883 0.382834 0.238634 O\n0.019883 0.617166 0.261366 O\n0.480117 0.882834 0.761367 O\n0.980117 0.117166 0.738634 O\n0.479861 0.882840 0.261301 O\n0.750003 0.960814 0.519779 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 3.507824206281926,
"density_atomic": 0.07882785261836522,
"volume": 507.434855464791,
"volume_molar": 7.639610315348067,
"formula_full": "Cr12 O28",
"formula_reduced": "Cr3O7",
"formula_anonymous": "A3B7",
"energy_above_hull": 3.55907367,
"spacegroup": 59
}
]
}