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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=1173",
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"results": [
{
"id": "jvasp-98281",
"created_at": "2022-09-04T14:36:12.132389Z",
"updated_at": "2022-09-04T14:36:12.132408Z",
"structure_string": "Sr2 Cd22\n1.0\n7.125361 -0.000000 3.223396\n3.562680 8.555003 1.611698\n0.036566 -0.000000 9.406221\nSr Cd\n2 22\ndirect\n0.375000 0.250000 0.750000 Sr\n0.625000 0.750000 0.250000 Sr\n0.449238 0.831428 0.927996 Cd\n0.791339 0.927996 0.831428 Cd\n0.280666 0.927996 0.668572 Cd\n0.550762 0.168572 0.072004 Cd\n0.449238 0.427996 0.331428 Cd\n0.719334 0.072004 0.331428 Cd\n0.791338 0.331428 0.427996 Cd\n0.280666 0.168572 0.427996 Cd\n0.500000 0.500000 0.000000 Cd\n0.550763 0.572004 0.668572 Cd\n0.875000 0.250000 0.750000 Cd\n0.877234 0.331428 0.072004 Cd\n0.125000 0.750000 0.250000 Cd\n0.122767 0.668572 0.927996 Cd\n0.877234 0.572004 0.831428 Cd\n0.208662 0.668572 0.572004 Cd\n0.122766 0.427996 0.168572 Cd\n0.208662 0.072004 0.168572 Cd\n0.000000 0.000000 0.000000 Cd\n0.719335 0.831428 0.572004 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 24,
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],
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"volume": 572.3712230285387,
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"formula_reduced": "SrCd11",
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"spacegroup": 141
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{
"id": "jvasp-115081",
"created_at": "2022-09-04T14:38:41.646085Z",
"updated_at": "2022-09-04T14:38:41.646118Z",
"structure_string": "Hf1 Cl3\n1.0\n3.100302 1.285784 0.607615\n-2.094966 -7.380485 -2.148005\n0.545169 -3.135582 -5.515426\nHf Cl\n1 3\ndirect\n0.557724 0.906913 0.168275 Hf\n0.057653 0.406888 0.668264 Cl\n0.384225 0.071842 0.333355 Cl\n0.731161 0.741920 0.003255 Cl\n",
"nsites": 4,
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"elements": [
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],
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"volume": 95.3949531524361,
"volume_molar": 14.362045891939397,
"formula_full": "Hf1 Cl3",
"formula_reduced": "HfCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.021861300625,
"spacegroup": 71
},
{
"id": "jvasp-76206",
"created_at": "2022-09-04T14:36:17.072193Z",
"updated_at": "2022-09-04T14:36:17.072219Z",
"structure_string": "Li2 Nd4 Si4\n1.0\n-0.000000 0.000000 4.314384\n7.434852 -0.000000 -0.000000\n-0.000000 7.434852 0.000000\nLi Nd Si\n2 4 4\ndirect\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.181513 0.681513 Nd\n0.500000 0.818486 0.318486 Nd\n0.500000 0.318486 0.181513 Nd\n0.500000 0.681513 0.818486 Nd\n0.000000 0.614821 0.114821 Si\n0.000000 0.385179 0.885179 Si\n0.000000 0.885179 0.614821 Si\n0.000000 0.114821 0.385179 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Nd",
"Si"
],
"chemical_system": "Li-Nd-Si",
"density": 4.896204700409933,
"density_atomic": 0.041931128206566415,
"volume": 238.48630904317045,
"volume_molar": 14.361981223908334,
"formula_full": "Li2 Nd4 Si4",
"formula_reduced": "Li(NdSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.06137604,
"spacegroup": 127
},
{
"id": "jvasp-40387",
"created_at": "2022-09-04T14:37:57.832590Z",
"updated_at": "2022-09-04T14:37:57.832624Z",
"structure_string": "Tb2 Hg6\n1.0\n3.318644 -5.748059 0.000000\n3.318644 5.748059 0.000000\n-0.000000 0.000000 5.000669\nTb Hg\n2 6\ndirect\n0.333332 0.666666 0.250000 Tb\n0.666666 0.333332 0.750000 Tb\n0.166781 0.833218 0.750000 Hg\n0.666436 0.833218 0.750000 Hg\n0.166781 0.333563 0.750000 Hg\n0.833218 0.166781 0.250000 Hg\n0.333563 0.166781 0.250000 Hg\n0.833218 0.666436 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Hg"
],
"chemical_system": "Hg-Tb",
"density": 13.241886641147769,
"density_atomic": 0.04193242685577792,
"volume": 190.78313848886305,
"volume_molar": 14.361536432681339,
"formula_full": "Tb2 Hg6",
"formula_reduced": "TbHg3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-20407",
"created_at": "2022-09-04T14:37:33.963550Z",
"updated_at": "2022-09-04T14:37:33.963567Z",
"structure_string": "U1 Se1\n1.0\n3.525160 0.000000 2.035253\n1.175053 3.323553 2.035253\n0.000000 0.000000 4.070504\nU Se\n1 1\ndirect\n0.500000 0.500000 0.499999 U\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"Se"
],
"chemical_system": "Se-U",
"density": 11.037317554316122,
"density_atomic": 0.041937290454660166,
"volume": 47.690253192734716,
"volume_molar": 14.359870880334393,
"formula_full": "U1 Se1",
"formula_reduced": "USe",
"formula_anonymous": "AB",
"energy_above_hull": 1.9469446833333333,
"spacegroup": 225
},
{
"id": "jvasp-20595",
"created_at": "2022-09-04T14:38:14.608302Z",
"updated_at": "2022-09-04T14:38:14.608322Z",
"structure_string": "U1 Se1\n1.0\n3.525160 0.000000 2.035253\n1.175053 3.323553 2.035253\n0.000000 0.000000 4.070504\nU Se\n1 1\ndirect\n0.500000 0.500000 0.499999 U\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
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"elements": [
"U",
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],
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"density": 11.037317554316122,
"density_atomic": 0.041937290454660166,
"volume": 47.690253192734716,
"volume_molar": 14.359870880334393,
"formula_full": "U1 Se1",
"formula_reduced": "USe",
"formula_anonymous": "AB",
"energy_above_hull": 1.9469446833333333,
"spacegroup": 225
},
{
"id": "jvasp-78735",
"created_at": "2022-09-04T14:37:12.015420Z",
"updated_at": "2022-09-04T14:37:12.015432Z",
"structure_string": "U1 Se1\n1.0\n-2.878266 -2.878266 0.000000\n-2.878266 -0.000000 -2.878266\n0.000000 -2.878266 -2.878266\nU Se\n1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.500001 0.500001 0.500001 Se\n",
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"elements": [
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"Se"
],
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"density": 11.037491640722887,
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"volume": 47.68950100871625,
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"formula_full": "U1 Se1",
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"spacegroup": 225
},
{
"id": "jvasp-106956",
"created_at": "2022-09-04T14:36:52.356538Z",
"updated_at": "2022-09-04T14:36:52.356559Z",
"structure_string": "Li3 Pm1\n1.0\n4.441355 0.000000 2.564217\n1.480452 4.187350 2.564217\n0.000000 0.000000 5.128435\nLi Pm\n3 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.750000 0.750001 Li\n0.499999 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 4,
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"elements": [
"Li",
"Pm"
],
"chemical_system": "Li-Pm",
"density": 2.887049692118853,
"density_atomic": 0.041939223468548274,
"volume": 95.37611021815277,
"volume_molar": 14.359209021874758,
"formula_full": "Li3 Pm1",
"formula_reduced": "Li3Pm",
"formula_anonymous": "AB3",
"energy_above_hull": 0.96037779375,
"spacegroup": 225
},
{
"id": "jvasp-50930",
"created_at": "2022-09-04T14:37:29.670171Z",
"updated_at": "2022-09-04T14:37:29.670190Z",
"structure_string": "Rb6 Y2 O6\n1.0\n3.856783 6.097230 0.146043\n-3.856783 6.097230 -0.146043\n-1.399452 0.000000 7.044564\nRb Y O\n6 2 6\ndirect\n0.360637 0.639363 0.638924 Rb\n0.798654 0.798654 0.500000 Rb\n0.201346 0.201346 0.500000 Rb\n0.258850 0.258850 0.000000 Rb\n0.741150 0.741150 -0.000000 Rb\n0.639363 0.360637 0.361076 Rb\n0.181280 0.818720 0.147452 Y\n0.818720 0.181280 0.852548 Y\n0.099009 0.900991 0.838502 O\n0.170057 0.547357 0.268333 O\n0.452643 0.829943 0.268333 O\n0.829943 0.452643 0.731667 O\n0.547357 0.170057 0.731667 O\n0.900992 0.099009 0.161497 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Y",
"O"
],
"chemical_system": "O-Rb-Y",
"density": 3.913043144182451,
"density_atomic": 0.04194028777144764,
"volume": 333.8079146307385,
"volume_molar": 14.358844633631218,
"formula_full": "Rb6 Y2 O6",
"formula_reduced": "Rb3YO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.890787992857143,
"spacegroup": 12
},
{
"id": "jvasp-40894",
"created_at": "2022-09-04T14:37:32.954667Z",
"updated_at": "2022-09-04T14:37:32.954702Z",
"structure_string": "Pm2 Ag1 Pt1\n1.0\n0.000000 3.626317 3.626317\n3.626317 -0.000000 3.626317\n3.626317 3.626317 -0.000000\nPm Ag Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Ag\n0.750002 0.750002 0.750002 Pt\n",
"nsites": 4,
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"elements": [
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"Ag",
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],
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"density": 10.32384531467403,
"density_atomic": 0.04194041252628371,
"volume": 95.37340619845438,
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"formula_full": "Pm2 Ag1 Pt1",
"formula_reduced": "Pm2AgPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1935002525,
"spacegroup": 225
},
{
"id": "jvasp-29431",
"created_at": "2022-09-04T14:37:58.167097Z",
"updated_at": "2022-09-04T14:37:58.167129Z",
"structure_string": "Cd4 Sb4 S8 Cl4\n1.0\n3.955727 0.000000 0.000000\n-0.000000 9.587592 0.000000\n0.000000 0.000000 12.573216\nCd Sb S Cl\n4 4 8 4\ndirect\n0.750001 0.000188 0.269140 Cd\n0.250000 0.499812 0.769140 Cd\n0.250000 -0.000188 0.730860 Cd\n0.750001 0.500188 0.230860 Cd\n0.750001 0.812576 0.969930 Sb\n0.750001 0.312576 0.530070 Sb\n0.250000 0.187424 0.030070 Sb\n0.250000 0.687423 0.469930 Sb\n0.750001 0.741238 0.332996 S\n0.250000 0.258762 0.667004 S\n0.250000 0.946881 0.110406 S\n0.250000 0.758762 0.832996 S\n0.750001 0.053119 0.889594 S\n0.250000 0.446881 0.389594 S\n0.750001 0.241238 0.167004 S\n0.750001 0.553119 0.610406 S\n0.750001 0.426241 0.896070 Cl\n0.250000 0.073759 0.396070 Cl\n0.250000 0.573759 0.103930 Cl\n0.750001 0.926241 0.603931 Cl\n",
"nsites": 20,
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"elements": [
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"S",
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],
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"density": 4.648933518622831,
"density_atomic": 0.04194186742736233,
"volume": 476.8504891833276,
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"formula_full": "Cd4 Sb4 S8 Cl4",
"formula_reduced": "CdSbS2Cl",
"formula_anonymous": "ABCD2",
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"spacegroup": 62
},
{
"id": "jvasp-100824",
"created_at": "2022-09-04T14:36:34.470233Z",
"updated_at": "2022-09-04T14:36:34.470251Z",
"structure_string": "Mg1 In1\n1.0\n3.242921 0.097786 1.093065\n1.353636 2.948519 1.093065\n0.083368 0.055251 5.096534\nMg In\n1 1\ndirect\n0.500001 0.500001 0.499998 Mg\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
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}
]
}