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=4099",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4097",
"results": [
{
"id": "jvasp-36206",
"created_at": "2022-09-04T14:37:29.373928Z",
"updated_at": "2022-09-04T14:37:29.373950Z",
"structure_string": "Zr1 Ti2\n1.0\n2.345643 -4.062772 -0.000000\n2.345643 4.062772 -0.000000\n-0.000000 0.000000 3.010710\nZr Ti\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666666 0.333333 0.500000 Ti\n0.333333 0.666666 0.500000 Ti\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zr",
"Ti"
],
"chemical_system": "Ti-Zr",
"density": 5.410156959924251,
"density_atomic": 0.05228028769715666,
"volume": 57.383004802461315,
"volume_molar": 11.518951071739268,
"formula_full": "Zr1 Ti2",
"formula_reduced": "ZrTi2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.551317055555556,
"spacegroup": 191
},
{
"id": "jvasp-21639",
"created_at": "2022-09-04T14:38:29.140619Z",
"updated_at": "2022-09-04T14:38:29.140635Z",
"structure_string": "Ca2 Co12 P7\n1.0\n4.526726 -7.840518 -0.000000\n4.526726 7.840518 0.000000\n-0.000000 -0.000000 3.562412\nCa Co P\n2 12 7\ndirect\n0.666668 0.333333 0.500000 Ca\n0.333333 0.666668 0.000000 Ca\n0.564410 0.947023 0.500000 Co\n0.435419 0.058598 0.000000 Co\n0.623180 0.564582 0.000000 Co\n0.152283 0.271332 0.000000 Co\n0.119050 0.847718 0.000000 Co\n0.941403 0.376821 0.000000 Co\n0.894315 0.133957 0.500000 Co\n0.866044 0.760358 0.500000 Co\n0.239643 0.105686 0.500000 Co\n0.052978 0.617387 0.500000 Co\n0.382613 0.435591 0.500000 Co\n0.728669 0.880951 0.000000 Co\n0.708230 0.112938 0.000000 P\n0.000000 0.000000 0.000000 P\n0.404707 0.291771 0.000000 P\n0.598294 0.708513 0.500000 P\n0.291488 0.889782 0.500000 P\n0.110219 0.401707 0.500000 P\n0.887064 0.595294 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ca",
"Co",
"P"
],
"chemical_system": "Ca-Co-P",
"density": 6.594069601062376,
"density_atomic": 0.08304551642221258,
"volume": 252.87337480368814,
"volume_molar": 7.251614559638321,
"formula_full": "Ca2 Co12 P7",
"formula_reduced": "Ca2Co12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 3.5515076257142857,
"spacegroup": 174
},
{
"id": "jvasp-28542",
"created_at": "2022-09-04T14:37:41.889830Z",
"updated_at": "2022-09-04T14:37:41.889839Z",
"structure_string": "Te4 Mo2 W1 S2\n1.0\n3.439101 0.000000 0.000000\n-1.719551 2.975345 -0.134852\n0.000000 -1.069741 20.516676\nTe Mo W S\n4 2 1 2\ndirect\n0.360189 0.720380 0.427248 Te\n0.750833 0.501664 0.600670 Te\n0.812219 0.624438 0.783571 Te\n0.299046 0.598093 0.245020 Te\n0.222149 0.444299 0.012637 Mo\n0.662969 0.325938 0.336176 Mo\n0.448200 0.896398 0.692129 W\n0.531022 0.062043 0.939791 S\n0.579979 0.159959 0.085599 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 7.533993358842211,
"density_atomic": 0.0429715250268655,
"volume": 209.44101924177144,
"volume_molar": 14.014258875464623,
"formula_full": "Te4 Mo2 W1 S2",
"formula_reduced": "Te4Mo2WS2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.5515269851851854,
"spacegroup": 160
},
{
"id": "jvasp-21841",
"created_at": "2022-09-04T14:37:33.679329Z",
"updated_at": "2022-09-04T14:37:33.679346Z",
"structure_string": "Yb1 Fe4 P12\n1.0\n6.390841 0.000000 -2.259503\n-3.195421 5.534630 -2.259503\n0.000000 0.000000 6.778510\nYb Fe P\n1 4 12\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.648085 0.498641 0.850556 P\n0.850556 0.351914 0.202471 P\n0.648086 0.797530 0.149445 P\n0.498641 0.850556 0.648086 P\n0.149444 0.648086 0.797530 P\n0.501358 0.149444 0.351915 P\n0.351914 0.501358 0.149444 P\n0.149444 0.351914 0.501359 P\n0.797530 0.149444 0.648086 P\n0.202470 0.850556 0.351915 P\n0.351914 0.202470 0.850556 P\n0.850556 0.648086 0.498642 P\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Yb",
"Fe",
"P"
],
"chemical_system": "Fe-P-Yb",
"density": 5.319721841699732,
"density_atomic": 0.07090356547321401,
"volume": 239.76227269448486,
"volume_molar": 8.493424441786427,
"formula_full": "Yb1 Fe4 P12",
"formula_reduced": "Yb(FeP3)4",
"formula_anonymous": "AB4C12",
"energy_above_hull": 3.5516781588235293,
"spacegroup": 204
},
{
"id": "jvasp-68126",
"created_at": "2022-09-04T14:36:01.285244Z",
"updated_at": "2022-09-04T14:36:01.285274Z",
"structure_string": "Be1 P2 Os1\n1.0\n-1.843862 1.843862 3.717979\n1.843862 -1.843862 3.717979\n1.843862 1.843862 -3.717979\nBe P Os\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 P\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"P",
"Os"
],
"chemical_system": "Be-Os-P",
"density": 8.577908356848367,
"density_atomic": 0.07911088436107487,
"volume": 50.56194267458006,
"volume_molar": 7.6122783971343,
"formula_full": "Be1 P2 Os1",
"formula_reduced": "BeP2Os",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.551748025,
"spacegroup": 119
},
{
"id": "jvasp-69383",
"created_at": "2022-09-04T14:35:51.249498Z",
"updated_at": "2022-09-04T14:35:51.249522Z",
"structure_string": "Ti1 Be2 Re1\n1.0\n-1.853554 1.853554 3.465127\n1.853554 -1.853554 3.465127\n1.853554 1.853554 -3.465127\nTi Be Re\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Ti\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.250000 0.749999 0.499999 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Be",
"Re"
],
"chemical_system": "Be-Re-Ti",
"density": 8.790822094348345,
"density_atomic": 0.08399827309720823,
"volume": 47.62002660901066,
"volume_molar": 7.1693625808601915,
"formula_full": "Ti1 Be2 Re1",
"formula_reduced": "TiBe2Re",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.552034633333334,
"spacegroup": 139
},
{
"id": "jvasp-86828",
"created_at": "2022-09-04T14:36:08.634324Z",
"updated_at": "2022-09-04T14:36:08.634348Z",
"structure_string": "Ca3 B6 Rh8\n1.0\n5.260670 -0.000000 1.697288\n2.630335 4.883951 0.848644\n0.002090 -0.000000 8.994769\nCa B Rh\n3 6 8\ndirect\n0.681576 0.000000 0.636846 Ca\n0.318424 0.000000 0.363154 Ca\n0.500000 0.000000 0.000000 Ca\n0.832913 0.334175 -0.000000 B\n0.986974 0.682461 0.343591 B\n0.167088 0.665824 -0.000000 B\n0.013027 0.317538 0.656409 B\n0.330566 0.682461 0.656409 B\n0.669435 0.317538 0.343591 B\n0.913220 0.000000 0.173559 Rh\n0.415108 0.500000 0.169784 Rh\n0.086779 0.000000 0.826441 Rh\n0.584892 0.500000 0.830216 Rh\n0.915108 0.500000 0.169784 Rh\n0.084892 0.500000 0.830216 Rh\n0.750000 0.500000 0.500000 Rh\n0.250000 0.500000 0.500000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ca",
"B",
"Rh"
],
"chemical_system": "B-Ca-Rh",
"density": 7.245827703942195,
"density_atomic": 0.07356633294845394,
"volume": 231.08396624732498,
"volume_molar": 8.186001012473413,
"formula_full": "Ca3 B6 Rh8",
"formula_reduced": "Ca3(B3Rh4)2",
"formula_anonymous": "A3B6C8",
"energy_above_hull": 3.552084162352941,
"spacegroup": 69
},
{
"id": "jvasp-86226",
"created_at": "2022-09-04T14:36:09.273412Z",
"updated_at": "2022-09-04T14:36:09.273437Z",
"structure_string": "Ca3 B6 Rh8\n1.0\n5.260690 -0.000000 1.697295\n2.630345 4.883838 0.848647\n0.002078 -0.000000 8.994841\nCa B Rh\n3 6 8\ndirect\n0.681579 0.000000 0.636842 Ca\n0.318422 0.000000 0.363157 Ca\n0.500000 0.000000 -0.000000 Ca\n0.832919 0.334162 -0.000000 B\n0.986964 0.682479 0.343590 B\n0.167080 0.665838 0.000000 B\n0.013035 0.317522 0.656409 B\n0.330556 0.682479 0.656409 B\n0.669443 0.317522 0.343590 B\n0.913221 0.000000 0.173559 Rh\n0.415108 0.500000 0.169783 Rh\n0.086780 0.000000 0.826441 Rh\n0.584892 0.500000 0.830216 Rh\n0.915108 0.500000 0.169783 Rh\n0.084892 0.500000 0.830217 Rh\n0.750000 0.500000 0.500000 Rh\n0.250000 0.500000 0.500000 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Ca",
"B",
"Rh"
],
"chemical_system": "B-Ca-Rh",
"density": 7.24590668262387,
"density_atomic": 0.0735671348129516,
"volume": 231.08144748634584,
"volume_molar": 8.185911786984253,
"formula_full": "Ca3 B6 Rh8",
"formula_reduced": "Ca3(B3Rh4)2",
"formula_anonymous": "A3B6C8",
"energy_above_hull": 3.552084162352941,
"spacegroup": 69
},
{
"id": "jvasp-15074",
"created_at": "2022-09-04T14:36:16.860304Z",
"updated_at": "2022-09-04T14:36:16.860338Z",
"structure_string": "Y1 Co5\n1.0\n2.450378 -4.244179 0.000000\n2.450378 4.244179 0.000000\n-0.000000 -0.000000 3.936122\nY Co\n1 5\ndirect\n0.000000 0.000000 0.000000 Y\n0.333333 0.666667 0.000000 Co\n0.666667 0.333333 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Co"
],
"chemical_system": "Co-Y",
"density": 7.779836552910062,
"density_atomic": 0.07328682834450896,
"volume": 81.87010047419459,
"volume_molar": 8.21722115151571,
"formula_full": "Y1 Co5",
"formula_reduced": "YCo5",
"formula_anonymous": "AB5",
"energy_above_hull": 3.552211658333334,
"spacegroup": 191
},
{
"id": "jvasp-92689",
"created_at": "2022-09-04T14:36:34.232412Z",
"updated_at": "2022-09-04T14:36:34.232436Z",
"structure_string": "La1 Si3 Os1\n1.0\n4.324829 0.000000 0.000000\n0.000000 4.324829 0.000000\n-2.162414 -2.162414 5.023179\nLa Si Os\n1 3 1\ndirect\n0.998401 0.998401 0.996799 La\n0.419569 0.419569 0.839138 Si\n0.760279 0.260279 0.520558 Si\n0.260279 0.760279 0.520558 Si\n0.655475 0.655475 0.310948 Os\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Si",
"Os"
],
"chemical_system": "La-Os-Si",
"density": 7.306251175102853,
"density_atomic": 0.05321737746815691,
"volume": 93.95427279353993,
"volume_molar": 11.316117115322717,
"formula_full": "La1 Si3 Os1",
"formula_reduced": "LaSi3Os",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.55225716,
"spacegroup": 107
},
{
"id": "jvasp-80887",
"created_at": "2022-09-04T14:37:09.706058Z",
"updated_at": "2022-09-04T14:37:09.706080Z",
"structure_string": "Sc1 Si1 Ru2\n1.0\n-5.338945 -0.407037 -8.690192\n-3.527976 0.093246 -0.879593\n-2.967754 2.266403 -2.891510\nSc Si Ru\n1 1 2\ndirect\n0.521036 -0.073016 0.030894 Sc\n0.026955 0.174151 -0.227998 Si\n0.754985 -0.190036 0.180039 Ru\n0.197025 0.088900 0.017064 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Ru"
],
"chemical_system": "Ru-Sc-Si",
"density": 7.4951173298766225,
"density_atomic": 0.06561002977749186,
"volume": 60.9662884404335,
"volume_molar": 9.178689265076287,
"formula_full": "Sc1 Si1 Ru2",
"formula_reduced": "ScSiRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5524012124999995,
"spacegroup": 38
},
{
"id": "jvasp-45894",
"created_at": "2022-09-04T14:38:05.740173Z",
"updated_at": "2022-09-04T14:38:05.740205Z",
"structure_string": "Ti3 Mn2 Co3 O16\n1.0\n5.718631 -0.007829 0.011762\n2.803987 4.984119 0.001465\n0.191652 0.129763 8.723207\nTi Mn Co O\n3 2 3 16\ndirect\n0.329309 0.828408 0.211234 Ti\n0.828330 0.329317 0.211253 Ti\n0.157417 0.157428 0.715142 Ti\n0.671506 0.671523 0.489307 Mn\n0.334452 0.334479 0.982403 Mn\n0.830739 0.830718 0.207714 Co\n0.167096 0.658861 0.705256 Co\n0.658848 0.167106 0.705259 Co\n0.171773 0.657693 0.097729 O\n0.340634 0.340650 0.597776 O\n0.482350 0.045123 0.843305 O\n0.045108 0.482372 0.843301 O\n0.833624 0.833643 0.604424 O\n0.174757 0.174809 0.101626 O\n0.955733 0.535265 0.343077 O\n0.993724 0.993728 0.322982 O\n0.829583 0.345158 0.599651 O\n0.986954 0.986955 0.817921 O\n0.476475 0.476484 0.829527 O\n0.670385 0.670385 0.095350 O\n0.522929 0.522974 0.351032 O\n0.345133 0.829607 0.599646 O\n0.535263 0.955745 0.343072 O\n0.657682 0.171762 0.097725 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O-Ti",
"density": 4.579997949258156,
"density_atomic": 0.09645711418858495,
"volume": 248.8152398285231,
"volume_molar": 6.243334989502185,
"formula_full": "Ti3 Mn2 Co3 O16",
"formula_reduced": "Ti3Mn2Co3O16",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.552537424281609,
"spacegroup": 8
}
]
}