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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=707",
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"results": [
{
"id": "jvasp-111004",
"created_at": "2022-09-04T14:38:48.776494Z",
"updated_at": "2022-09-04T14:38:48.776514Z",
"structure_string": "Sn1 Te1 Pb4 S4\n1.0\n4.287780 0.014184 17.171311\n2.123450 3.725080 17.171311\n0.024319 0.014184 17.698542\nSn Te Pb S\n1 1 4 4\ndirect\n0.594411 0.594409 0.594411 Sn\n0.298321 0.298320 0.298321 Te\n0.004546 0.004546 0.004546 Pb\n0.402434 0.402432 0.402433 Pb\n0.800438 0.800435 0.800437 Pb\n0.198373 0.198372 0.198373 Pb\n0.703195 0.703193 0.703194 S\n0.101288 0.101288 0.101288 S\n0.499406 0.499405 0.499406 S\n0.897591 0.897588 0.897590 S\n",
"nsites": 10,
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"elements": [
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"S"
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"density_atomic": 0.03570446613580615,
"volume": 280.0770066681244,
"volume_molar": 16.866631577949036,
"formula_full": "Sn1 Te1 Pb4 S4",
"formula_reduced": "SnTe(PbS)4",
"formula_anonymous": "ABC4D4",
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"spacegroup": 160
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{
"id": "jvasp-39410",
"created_at": "2022-09-04T14:37:54.890410Z",
"updated_at": "2022-09-04T14:37:54.890440Z",
"structure_string": "Ho3 Pb1\n1.0\n-2.318517 2.318517 5.210227\n2.318517 -2.318517 5.210227\n2.318517 2.318517 -5.210227\nHo Pb\n3 1\ndirect\n0.750001 0.250000 0.500000 Ho\n0.250000 0.750001 0.500000 Ho\n0.499999 0.499999 0.000000 Ho\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ho-Pb",
"density": 10.40503178607287,
"density_atomic": 0.0357044860233865,
"volume": 112.03074026552274,
"volume_molar": 16.866622183149445,
"formula_full": "Ho3 Pb1",
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{
"id": "jvasp-117520",
"created_at": "2022-09-04T14:38:53.245083Z",
"updated_at": "2022-09-04T14:38:53.245112Z",
"structure_string": "B1 Te3\n1.0\n5.858064 0.584246 1.185040\n0.136242 -3.354093 0.534798\n-0.596945 -0.019688 -5.805501\nB Te\n1 3\ndirect\n0.985102 -0.083071 0.053294 B\n0.602118 0.851607 0.066689 Te\n0.284440 0.030112 0.399878 Te\n-0.046302 0.345673 0.787241 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Te"
],
"chemical_system": "B-Te",
"density": 5.834170847745403,
"density_atomic": 0.03570448800989097,
"volume": 112.03073403242493,
"volume_molar": 16.866621244734635,
"formula_full": "B1 Te3",
"formula_reduced": "BTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.867523970833333,
"spacegroup": 1
},
{
"id": "jvasp-40313",
"created_at": "2022-09-04T14:37:48.951843Z",
"updated_at": "2022-09-04T14:37:48.951879Z",
"structure_string": "Li1 Ca2 In1\n1.0\n-0.000000 3.826183 3.826183\n3.826183 0.000000 3.826183\n3.826183 3.826183 0.000000\nLi Ca In\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Li\n0.499999 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 Ca\n0.250001 0.250001 0.250001 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"In"
],
"chemical_system": "Ca-In-Li",
"density": 2.9928880470771455,
"density_atomic": 0.03570530788628609,
"volume": 112.02816154783373,
"volume_molar": 16.866233948126855,
"formula_full": "Li1 Ca2 In1",
"formula_reduced": "LiCa2In",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-102224",
"created_at": "2022-09-04T14:36:57.701945Z",
"updated_at": "2022-09-04T14:36:57.701966Z",
"structure_string": "Cd1 Pb3 Se4\n1.0\n4.280142 0.020231 13.573881\n2.106206 3.726114 13.573881\n0.034488 0.020231 14.232662\nCd Pb Se\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.253270 0.253269 0.253270 Pb\n0.500001 0.499999 0.500000 Pb\n0.746732 0.746729 0.746730 Pb\n0.123294 0.123294 0.123294 Se\n0.369403 0.369401 0.369402 Se\n0.630599 0.630597 0.630598 Se\n0.876708 0.876704 0.876706 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Pb",
"Se"
],
"chemical_system": "Cd-Pb-Se",
"density": 7.780990747471495,
"density_atomic": 0.03570656906530482,
"volume": 224.0484092820164,
"volume_molar": 16.865638221879916,
"formula_full": "Cd1 Pb3 Se4",
"formula_reduced": "CdPb3Se4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.5712332095833332,
"spacegroup": 166
},
{
"id": "jvasp-26739",
"created_at": "2022-09-04T14:38:29.199095Z",
"updated_at": "2022-09-04T14:38:29.199111Z",
"structure_string": "Hg6 As16 S16 Br12\n1.0\n0.000000 9.272473 -0.245736\n11.687104 0.000000 0.000000\n0.000000 -3.786271 -12.821129\nHg As S Br\n6 16 16 12\ndirect\n0.249441 0.792011 0.310329 Hg\n0.750559 0.292011 0.189671 Hg\n0.249441 0.707989 0.810329 Hg\n0.750559 0.207989 0.689671 Hg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.639218 0.645069 0.310024 As\n0.647020 0.576534 0.926362 As\n0.352980 0.423466 0.073638 As\n0.602947 0.866384 -0.000802 As\n0.397053 0.133615 0.000802 As\n0.602947 0.633615 0.499198 As\n0.352980 0.076534 0.573638 As\n0.904779 0.819576 0.488086 As\n0.360782 0.145069 0.189976 As\n0.904779 0.680423 0.988086 As\n0.639218 0.854931 0.810024 As\n0.095221 0.319577 0.011914 As\n0.397053 0.366385 0.500802 As\n0.095221 0.180423 0.511914 As\n0.647020 0.923465 0.426362 As\n0.360782 0.354931 0.689976 As\n0.884763 0.800944 0.850928 S\n0.884763 0.699055 0.350928 S\n0.510239 0.813357 0.510597 S\n0.163616 0.184314 0.908760 S\n0.510239 0.686643 0.010597 S\n0.489761 0.186643 0.489403 S\n0.115236 0.199056 0.149072 S\n0.836384 0.815686 0.091240 S\n0.441620 0.329311 0.227643 S\n0.115237 0.300944 0.649072 S\n0.163616 0.315686 0.408760 S\n0.558380 0.829310 0.272357 S\n0.489761 0.313357 -0.010597 S\n0.558380 0.670689 0.772357 S\n0.441620 0.170689 0.727644 S\n0.836384 0.684314 0.591240 S\n0.267092 0.917612 0.775746 Br\n0.732908 0.082388 0.224255 Br\n0.237082 0.619243 0.568399 Br\n0.237082 0.880756 0.068399 Br\n0.131610 0.978579 0.335425 Br\n0.868390 0.021421 0.664575 Br\n0.762918 0.119244 0.931601 Br\n0.762918 0.380756 0.431601 Br\n0.131610 0.521421 0.835425 Br\n0.868390 0.478579 0.164575 Br\n0.732908 0.417612 0.724255 Br\n0.267092 0.582388 0.275746 Br\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Hg",
"As",
"S",
"Br"
],
"chemical_system": "As-Br-Hg-S",
"density": 4.59424038184588,
"density_atomic": 0.035707179299235864,
"volume": 1400.2786269110313,
"volume_molar": 16.865349988955508,
"formula_full": "Hg6 As16 S16 Br12",
"formula_reduced": "Hg3As8(S4Br3)2",
"formula_anonymous": "A3B6C8D8",
"energy_above_hull": 1.4288668972,
"spacegroup": 14
},
{
"id": "jvasp-58410",
"created_at": "2022-09-04T14:36:34.551256Z",
"updated_at": "2022-09-04T14:36:34.551284Z",
"structure_string": "K4 Co2 Se4\n1.0\n5.691807 0.000000 -2.446867\n-1.275666 6.095208 -2.967404\n0.078737 0.020749 8.026616\nK Co Se\n4 2 4\ndirect\n0.144923 0.474602 0.289846 K\n0.855077 0.525398 0.710155 K\n0.355077 0.184756 0.710155 K\n0.644923 0.815244 0.289846 K\n0.250000 -0.000000 -0.000000 Co\n0.750000 -0.000000 -0.000000 Co\n0.896822 0.085324 0.793641 Se\n0.103179 0.914676 0.206360 Se\n0.603179 0.291684 0.206359 Se\n0.396821 0.708317 0.793642 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Co",
"Se"
],
"chemical_system": "Co-K-Se",
"density": 3.4988979536257077,
"density_atomic": 0.035707287966242444,
"volume": 280.0548730963261,
"volume_molar": 16.865298663100127,
"formula_full": "K4 Co2 Se4",
"formula_reduced": "K2CoSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7386967266666671,
"spacegroup": 72
},
{
"id": "jvasp-91900",
"created_at": "2022-09-04T14:35:50.304215Z",
"updated_at": "2022-09-04T14:35:50.304229Z",
"structure_string": "Ba1 Mg7\n1.0\n7.017651 -0.000000 -0.000000\n-3.508825 6.077463 -0.000000\n-0.000000 0.000000 5.252769\nBa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Ba\n0.181680 0.840840 0.250000 Mg\n0.659160 0.318319 0.250000 Mg\n0.659159 0.840840 0.250000 Mg\n0.349816 0.150184 0.750000 Mg\n0.349816 0.699633 0.750000 Mg\n0.800366 0.150184 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Mg"
],
"chemical_system": "Ba-Mg",
"density": 2.2789676127424445,
"density_atomic": 0.03570981456221317,
"volume": 224.0280465770133,
"volume_molar": 16.864105383432626,
"formula_full": "Ba1 Mg7",
"formula_reduced": "BaMg7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0812471169852941,
"spacegroup": 187
},
{
"id": "jvasp-54631",
"created_at": "2022-09-04T14:38:35.048073Z",
"updated_at": "2022-09-04T14:38:35.048095Z",
"structure_string": "Ca3 Cd3 Pb3\n1.0\n3.925319 -6.798851 0.000000\n3.925319 6.798851 -0.000000\n-0.000000 -0.000000 4.721859\nCa Cd Pb\n3 3 3\ndirect\n0.424301 0.424301 0.500000 Ca\n0.000000 0.575699 0.500000 Ca\n0.575699 0.000000 0.500000 Ca\n0.000000 0.252169 0.000000 Cd\n0.252169 0.000000 0.000000 Cd\n0.747831 0.747831 0.000000 Cd\n0.000000 0.000000 0.500000 Pb\n0.666667 0.333333 0.000000 Pb\n0.333333 0.666667 0.000000 Pb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Pb"
],
"chemical_system": "Ca-Cd-Pb",
"density": 7.109581197304483,
"density_atomic": 0.03570993168788552,
"volume": 252.03072575614087,
"volume_molar": 16.864050070538195,
"formula_full": "Ca3 Cd3 Pb3",
"formula_reduced": "CaCdPb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-35747",
"created_at": "2022-09-04T14:37:29.270676Z",
"updated_at": "2022-09-04T14:37:29.270697Z",
"structure_string": "Ba2 N1 Cl1\n1.0\n-2.058661 -3.565705 -0.000000\n-4.117322 0.000000 0.000000\n-2.058661 -1.188568 -7.629681\nBa N Cl\n2 1 1\ndirect\n0.231899 0.231898 0.304305 Ba\n0.768103 0.768100 0.695695 Ba\n0.500001 0.499999 0.500000 N\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"elements": [
"Ba",
"N",
"Cl"
],
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"density": 4.804850318104193,
"density_atomic": 0.03571028926744375,
"volume": 112.0125342598865,
"volume_molar": 16.863881204933975,
"formula_full": "Ba2 N1 Cl1",
"formula_reduced": "Ba2NCl",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-30445",
"created_at": "2022-09-04T14:38:05.070484Z",
"updated_at": "2022-09-04T14:38:05.070511Z",
"structure_string": "Dy4 Mg2\n1.0\n3.618357 -0.000000 0.000000\n1.809178 8.550508 0.000000\n0.000000 0.000000 5.430622\nDy Mg\n4 2\ndirect\n0.983894 0.032215 0.000000 Dy\n0.662010 0.675984 0.000000 Dy\n0.793887 0.412230 0.499999 Dy\n0.115770 0.768461 0.499999 Dy\n0.324114 0.351774 0.000000 Mg\n0.453666 0.092669 0.499999 Mg\n",
"nsites": 6,
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],
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"density": 6.904480213495724,
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"volume": 168.01687620885878,
"volume_molar": 16.863687976420714,
"formula_full": "Dy4 Mg2",
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"formula_anonymous": "AB2",
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"spacegroup": 63
},
{
"id": "jvasp-27256",
"created_at": "2022-09-04T14:37:48.714991Z",
"updated_at": "2022-09-04T14:37:48.715011Z",
"structure_string": "Fe2 Te2 Cl14\n1.0\n6.422347 0.042119 -0.035043\n1.019084 8.225891 -0.024348\n2.158822 0.572407 9.535276\nFe Te Cl\n2 2 14\ndirect\n0.497642 0.116658 0.120268 Fe\n0.759678 0.542698 0.566994 Fe\n0.945643 0.500326 0.090593 Te\n0.191383 0.929638 0.548702 Te\n0.318980 0.176871 0.576273 Cl\n0.731038 0.336503 0.715274 Cl\n0.659975 0.485804 0.373914 Cl\n0.552319 0.757707 0.663526 Cl\n0.098733 0.598564 0.508929 Cl\n0.645937 0.622980 0.001361 Cl\n0.059196 0.748151 0.134196 Cl\n0.975018 0.918141 0.775746 Cl\n0.401074 0.047259 0.938880 Cl\n0.489650 0.905835 0.277854 Cl\n0.290453 0.329063 0.220002 Cl\n0.837433 0.171428 0.066349 Cl\n0.178759 0.475475 0.869911 Cl\n0.914086 0.046002 0.433635 Cl\n",
"nsites": 18,
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"elements": [
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"Te",
"Cl"
],
"chemical_system": "Cl-Fe-Te",
"density": 2.8439726917923727,
"density_atomic": 0.035712585923922145,
"volume": 504.02398858332646,
"volume_molar": 16.86279669814125,
"formula_full": "Fe2 Te2 Cl14",
"formula_reduced": "FeTeCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.5890190821296295,
"spacegroup": 1
}
]
}