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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4532",
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"results": [
{
"id": "jvasp-9087",
"created_at": "2022-09-04T14:37:32.847301Z",
"updated_at": "2022-09-04T14:37:32.847320Z",
"structure_string": "Cd8 Sb8\n1.0\n6.618534 -0.000000 0.000000\n0.000000 8.371657 0.000000\n0.000000 0.000000 8.666078\nCd Sb\n8 8\ndirect\n0.450024 0.122808 0.866656 Cd\n0.950024 0.377192 0.133344 Cd\n0.549975 0.622808 0.633344 Cd\n0.049976 0.877192 0.366656 Cd\n0.549975 0.877192 0.133344 Cd\n0.049976 0.622808 0.866656 Cd\n0.450024 0.377192 0.366656 Cd\n0.950024 0.122808 0.633344 Cd\n0.139408 0.074156 0.104181 Sb\n0.639408 0.425844 0.895820 Sb\n0.860592 0.574156 0.395820 Sb\n0.360592 0.925844 0.604181 Sb\n0.860592 0.925844 0.895820 Sb\n0.360592 0.574156 0.104181 Sb\n0.139408 0.425844 0.604181 Sb\n0.639408 0.074156 0.395820 Sb\n",
"nsites": 16,
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"elements": [
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],
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"volume": 480.17088602112847,
"volume_molar": 18.0728541529572,
"formula_full": "Cd8 Sb8",
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{
"id": "jvasp-42111",
"created_at": "2022-09-04T14:37:31.921529Z",
"updated_at": "2022-09-04T14:37:31.921549Z",
"structure_string": "Ca1 Pm1 Zn2\n1.0\n-0.000007 3.635935 3.635935\n3.635935 -0.000007 3.635935\n3.635935 3.635935 -0.000007\nCa Pm Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750002 0.750002 0.750002 Pm\n0.999984 0.999984 0.999984 Zn\n0.500020 0.500020 0.500020 Zn\n",
"nsites": 4,
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"elements": [
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"Pm",
"Zn"
],
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"volume": 96.13456863122185,
"volume_molar": 14.473397604977464,
"formula_full": "Ca1 Pm1 Zn2",
"formula_reduced": "CaPmZn2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40851",
"created_at": "2022-09-04T14:37:31.945342Z",
"updated_at": "2022-09-04T14:37:31.945358Z",
"structure_string": "Pm1 Mg1 Cd2\n1.0\n-0.000000 3.633760 3.633760\n3.633760 0.000000 3.633760\n3.633760 3.633760 0.000000\nPm Mg Cd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pm\n0.250001 0.250001 0.250001 Mg\n0.499999 0.499999 0.499999 Cd\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Pm",
"density": 6.820034467969028,
"density_atomic": 0.04168322146755186,
"volume": 95.96187288724276,
"volume_molar": 14.447397653005089,
"formula_full": "Pm1 Mg1 Cd2",
"formula_reduced": "PmMgCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-11184",
"created_at": "2022-09-04T14:37:07.941276Z",
"updated_at": "2022-09-04T14:37:07.941292Z",
"structure_string": "K4 Rb2 Pd2 F10\n1.0\n7.173541 -0.000000 -0.000000\n0.000000 7.173541 0.000000\n0.000000 0.000000 6.254735\nK Rb Pd F\n4 2 2 10\ndirect\n0.171662 0.328338 0.500000 K\n0.671661 0.171662 0.500000 K\n0.328338 0.828338 0.500000 K\n0.828338 0.671661 0.500000 K\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n0.861975 0.361975 0.222714 F\n0.361975 0.138025 0.222714 F\n0.638025 0.861975 0.222714 F\n0.138025 0.638025 0.222714 F\n0.138025 0.638025 0.777285 F\n0.361975 0.138025 0.777285 F\n0.861975 0.361975 0.777285 F\n0.000000 0.000000 0.500000 F\n0.638025 0.861975 0.777285 F\n0.500000 0.500000 0.500000 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Rb",
"Pd",
"F"
],
"chemical_system": "F-K-Pd-Rb",
"density": 3.7669233876707704,
"density_atomic": 0.055923767457156076,
"volume": 321.86672712617286,
"volume_molar": 10.768481870635128,
"formula_full": "K4 Rb2 Pd2 F10",
"formula_reduced": "K2RbPdF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-79991",
"created_at": "2022-09-04T14:37:18.514850Z",
"updated_at": "2022-09-04T14:37:18.514870Z",
"structure_string": "Yb2 Ag1 Pb1\n1.0\n-0.000000 3.716121 3.716121\n3.716121 -0.000000 3.716121\n3.716121 3.716121 0.000000\nYb Ag Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.499999 0.499999 0.499999 Yb\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 4,
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"elements": [
"Yb",
"Ag",
"Pb"
],
"chemical_system": "Ag-Pb-Yb",
"density": 10.696664688601993,
"density_atomic": 0.038972696553991285,
"volume": 102.63595680269526,
"volume_molar": 15.45220447257776,
"formula_full": "Yb2 Ag1 Pb1",
"formula_reduced": "Yb2AgPb",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-41776",
"created_at": "2022-09-04T14:37:31.979548Z",
"updated_at": "2022-09-04T14:37:31.979566Z",
"structure_string": "Li1 Tm1 Hg2\n1.0\n0.000000 3.497625 3.497625\n3.497625 -0.000000 3.497625\n3.497625 3.497625 0.000000\nLi Tm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.750001 0.750001 0.750001 Tm\n0.000000 0.000000 0.000000 Hg\n0.500002 0.500002 0.500002 Hg\n",
"nsites": 4,
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"elements": [
"Li",
"Tm",
"Hg"
],
"chemical_system": "Hg-Li-Tm",
"density": 11.197388195934776,
"density_atomic": 0.04674231977462595,
"volume": 85.57555592633206,
"volume_molar": 12.883701085090596,
"formula_full": "Li1 Tm1 Hg2",
"formula_reduced": "LiTmHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-23532",
"created_at": "2022-09-04T14:37:33.835011Z",
"updated_at": "2022-09-04T14:37:33.835030Z",
"structure_string": "Sr2 In8 Pt2\n1.0\n4.454408 0.000000 -1.189304\n0.000000 7.604429 0.000000\n-0.001960 -0.000000 8.929061\nSr In Pt\n2 8 2\ndirect\n0.873252 0.250000 0.746504 Sr\n0.126748 0.750000 0.253496 Sr\n0.683577 0.048544 0.367154 In\n0.500000 0.500000 0.000000 In\n0.316423 0.548544 0.632847 In\n0.316423 0.951456 0.632847 In\n0.683577 0.451456 0.367154 In\n0.933742 0.750000 0.867484 In\n0.066258 0.250000 0.132517 In\n0.500000 0.000000 0.000000 In\n0.224239 0.250000 0.448479 Pt\n0.775761 0.750000 0.551521 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"In",
"Pt"
],
"chemical_system": "In-Pt-Sr",
"density": 8.14764337816217,
"density_atomic": 0.039677500595057584,
"volume": 302.43840514225275,
"volume_molar": 15.177722058304616,
"formula_full": "Sr2 In8 Pt2",
"formula_reduced": "SrIn4Pt",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-79745",
"created_at": "2022-09-04T14:37:18.511884Z",
"updated_at": "2022-09-04T14:37:18.511914Z",
"structure_string": "Li1 Hg2 Pt1\n1.0\n-11.957693 0.341888 -6.427200\n-7.209034 -0.755132 -1.132457\n-5.935830 2.762683 -3.312606\nLi Hg Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.218563 0.461141 0.460736 Hg\n0.781438 0.538856 -0.460735 Hg\n0.500002 -0.000002 0.999997 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Pt"
],
"chemical_system": "Hg-Li-Pt",
"density": 11.977719524365396,
"density_atomic": 0.04783217180524417,
"volume": 83.6257240479608,
"volume_molar": 12.590147034343424,
"formula_full": "Li1 Hg2 Pt1",
"formula_reduced": "LiHg2Pt",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-41836",
"created_at": "2022-09-04T14:37:33.858001Z",
"updated_at": "2022-09-04T14:37:33.858026Z",
"structure_string": "Sc2 Zn6\n1.0\n2.950435 -5.110303 0.000000\n2.950435 5.110303 -0.000000\n0.000000 0.000000 4.383636\nSc Zn\n2 6\ndirect\n0.333332 0.666666 0.750001 Sc\n0.666666 0.333332 0.250000 Sc\n0.319674 0.159837 0.750001 Zn\n0.840162 0.159836 0.750001 Zn\n0.680325 0.840162 0.250000 Zn\n0.159836 0.840162 0.250000 Zn\n0.159837 0.319674 0.250000 Zn\n0.840162 0.680325 0.750001 Zn\n",
"nsites": 8,
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"elements": [
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"Zn"
],
"chemical_system": "Sc-Zn",
"density": 6.059383565689349,
"density_atomic": 0.060519147830874996,
"volume": 132.1895678762127,
"volume_molar": 9.950802309426589,
"formula_full": "Sc2 Zn6",
"formula_reduced": "ScZn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-21829",
"created_at": "2022-09-04T14:37:32.783963Z",
"updated_at": "2022-09-04T14:37:32.783996Z",
"structure_string": "Li2 Ca2 Ga2 F12\n1.0\n2.557848 -4.430322 0.000000\n2.557848 4.430322 0.000000\n-0.000000 -0.000000 9.803389\nLi Ca Ga F\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n0.985647 0.350947 0.639749 F\n0.350947 0.985647 0.139749 F\n0.365300 0.014354 0.639749 F\n0.365300 0.350947 0.860251 F\n0.649053 0.014354 0.860251 F\n0.634701 0.985647 0.360251 F\n0.350947 0.365300 0.360251 F\n0.014354 0.365300 0.139749 F\n0.014354 0.649053 0.360251 F\n0.985647 0.634701 0.860251 F\n0.649054 0.634700 0.639749 F\n0.634700 0.649054 0.139749 F\n",
"nsites": 18,
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"elements": [
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"Ca",
"Ga",
"F"
],
"chemical_system": "Ca-F-Ga-Li",
"density": 3.4488273661479893,
"density_atomic": 0.08101328604608424,
"volume": 222.18577814212767,
"volume_molar": 7.4335223935668004,
"formula_full": "Li2 Ca2 Ga2 F12",
"formula_reduced": "LiCaGaF6",
"formula_anonymous": "ABCD6",
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"spacegroup": 163
},
{
"id": "jvasp-78347",
"created_at": "2022-09-04T14:37:08.443293Z",
"updated_at": "2022-09-04T14:37:08.443318Z",
"structure_string": "Tm2\n1.0\n-1.760538 -3.049252 0.000000\n-1.760538 3.049252 0.000000\n0.000000 0.000000 -5.472565\nTm\n2\ndirect\n0.666685 0.333316 0.749999 Tm\n0.333316 0.666685 0.250000 Tm\n",
"nsites": 2,
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"elements": [
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],
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"density": 9.548541793424201,
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"volume": 58.757004254491605,
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"formula_full": "Tm2",
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},
{
"id": "jvasp-21826",
"created_at": "2022-09-04T14:37:32.026389Z",
"updated_at": "2022-09-04T14:37:32.026400Z",
"structure_string": "Ba1 Er2 F8\n1.0\n4.237093 0.005324 -0.392491\n-0.811331 5.734136 -2.441276\n0.004188 -0.001691 6.284774\nBa Er F\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.324270 0.675730 Er\n0.500000 0.675730 0.324269 Er\n0.000000 0.738789 0.261212 F\n1.000000 0.261212 0.738787 F\n0.223445 0.393732 0.393731 F\n0.436915 0.671755 0.952666 F\n0.563085 0.047333 0.328245 F\n0.563085 0.328245 0.047333 F\n0.436915 0.952668 0.671754 F\n0.776555 0.606268 0.606268 F\n",
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],
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"density": 6.783263242408261,
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"volume": 152.7137816407446,
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"formula_full": "Ba1 Er2 F8",
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"formula_anonymous": "AB2C8",
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"spacegroup": 12
}
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}