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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=1145",
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"results": [
{
"id": "jvasp-20210",
"created_at": "2022-09-04T14:37:33.783110Z",
"updated_at": "2022-09-04T14:37:33.783129Z",
"structure_string": "Si2 Ir6\n1.0\n4.649093 -0.000000 -2.551502\n-1.400308 4.433193 -2.551502\n-0.003386 -0.004621 5.505137\nSi Ir\n2 6\ndirect\n0.249999 0.750000 0.500000 Si\n0.749999 0.250000 0.500000 Si\n0.249999 0.250000 0.500000 Ir\n0.749999 0.750000 0.500000 Ir\n0.183675 0.683675 -0.000000 Ir\n0.316324 0.183676 -0.000000 Ir\n0.683675 0.816323 -0.000000 Ir\n0.816323 0.316324 -0.000000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 17.71789326777848,
"density_atomic": 0.07057595978816658,
"volume": 113.3530457681619,
"volume_molar": 8.532849964882416,
"formula_full": "Si2 Ir6",
"formula_reduced": "SiIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.165770475,
"spacegroup": 140
},
{
"id": "jvasp-103651",
"created_at": "2022-09-04T14:36:36.049576Z",
"updated_at": "2022-09-04T14:36:36.049587Z",
"structure_string": "Si2 Ir4\n1.0\n4.195084 0.000000 0.000000\n-2.097542 3.633050 0.000000\n-0.000000 0.000000 5.544569\nSi Ir\n2 4\ndirect\n0.333333 0.666667 0.250000 Si\n0.666666 0.333333 0.750000 Si\n0.333333 0.666667 0.750000 Ir\n0.666666 0.333333 0.250000 Ir\n0.000000 0.000000 0.000000 Ir\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 16.21226698491866,
"density_atomic": 0.07100213724850876,
"volume": 84.50449849136079,
"volume_molar": 8.481633079469706,
"formula_full": "Si2 Ir4",
"formula_reduced": "SiIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5795102666666665,
"spacegroup": 194
},
{
"id": "jvasp-101429",
"created_at": "2022-09-04T14:36:41.303235Z",
"updated_at": "2022-09-04T14:36:41.303261Z",
"structure_string": "Si2 Ir1\n1.0\n3.521335 -0.000000 2.033043\n1.173778 3.319946 2.033043\n-0.000000 -0.000000 4.066087\nSi Ir\n2 1\ndirect\n0.250000 0.250000 0.250000 Si\n0.749999 0.750001 0.749999 Si\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Si",
"Ir"
],
"chemical_system": "Ir-Si",
"density": 8.676901713873692,
"density_atomic": 0.06311116901745292,
"volume": 47.53516765266022,
"volume_molar": 9.542115688483953,
"formula_full": "Si2 Ir1",
"formula_reduced": "Si2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 3.085889433333333,
"spacegroup": 225
},
{
"id": "jvasp-91723",
"created_at": "2022-09-04T14:36:19.108339Z",
"updated_at": "2022-09-04T14:36:19.108362Z",
"structure_string": "Si2 I6\n1.0\n-3.584924 -6.209271 0.000000\n3.584924 -6.209271 0.000000\n-0.000000 -4.139514 7.397281\nSi I\n2 6\ndirect\n0.053175 0.053175 0.840476 Si\n0.946825 0.946825 0.159524 Si\n0.091414 0.755585 0.740727 I\n0.755585 0.412274 0.740727 I\n0.412274 0.091414 0.740727 I\n0.908586 0.244415 0.259273 I\n0.244414 0.587725 0.259273 I\n0.587725 0.908586 0.259273 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"I"
],
"chemical_system": "I-Si",
"density": 4.122551998529017,
"density_atomic": 0.02429222566580776,
"volume": 329.3234679299191,
"volume_molar": 24.79040349306648,
"formula_full": "Si2 I6",
"formula_reduced": "SiI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4625743562499999,
"spacegroup": 148
},
{
"id": "jvasp-12943",
"created_at": "2022-09-04T14:36:58.496349Z",
"updated_at": "2022-09-04T14:36:58.496368Z",
"structure_string": "Si2 Hg6 O7\n1.0\n5.865643 -0.018407 1.884829\n1.372094 6.319115 2.917438\n0.010528 0.071985 7.093659\nSi Hg O\n2 6 7\ndirect\n0.102248 0.353223 0.353224 Si\n0.897751 0.646776 0.646777 Si\n0.415982 0.876734 0.355155 Hg\n0.584017 0.644845 0.123266 Hg\n0.584018 0.123265 0.644846 Hg\n0.415982 0.355154 0.876735 Hg\n0.048208 0.885212 0.885213 Hg\n0.951791 0.114787 0.114788 Hg\n-0.000000 0.500000 0.500000 O\n0.260929 0.128708 0.485627 O\n0.739070 0.514373 0.871293 O\n0.739070 0.871292 0.514374 O\n0.260929 0.485627 0.128708 O\n0.121252 0.693276 0.693276 O\n0.878747 0.306724 0.306725 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Si",
"Hg",
"O"
],
"chemical_system": "Hg-O-Si",
"density": 8.695821836872081,
"density_atomic": 0.05726529511659035,
"volume": 261.93875312194706,
"volume_molar": 10.516213611995031,
"formula_full": "Si2 Hg6 O7",
"formula_reduced": "Si2Hg6O7",
"formula_anonymous": "A2B6C7",
"energy_above_hull": 0.99599662,
"spacegroup": 12
},
{
"id": "jvasp-37274",
"created_at": "2022-09-04T14:38:06.583133Z",
"updated_at": "2022-09-04T14:38:06.583156Z",
"structure_string": "Si2 Hg6\n1.0\n3.798450 -6.579107 0.000000\n3.798450 6.579107 -0.000000\n-0.000000 0.000000 3.958881\nSi Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Si\n0.666667 0.333333 0.750000 Si\n0.644525 0.822263 0.750000 Hg\n0.177737 0.355475 0.750000 Hg\n0.177737 0.822263 0.750000 Hg\n0.355475 0.177737 0.250000 Hg\n0.822263 0.644525 0.250000 Hg\n0.822263 0.177737 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Hg"
],
"chemical_system": "Hg-Si",
"density": 10.571684955095456,
"density_atomic": 0.040430971797156705,
"volume": 197.86811061916146,
"volume_molar": 14.894870175798012,
"formula_full": "Si2 Hg6",
"formula_reduced": "SiHg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-119597",
"created_at": "2022-09-04T14:38:51.458982Z",
"updated_at": "2022-09-04T14:38:51.459011Z",
"structure_string": "Si2 Hg4 O4 F12\n1.0\n7.374745 0.000000 0.000000\n-0.000000 4.370241 2.328751\n-0.000000 0.549107 9.199310\nSi Hg O F\n2 4 4 12\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.498565 0.812052 0.687110 Hg\n-0.001434 0.187949 0.812890 Hg\n0.501434 0.187948 0.312890 Hg\n0.001434 0.812052 0.187110 Hg\n0.056341 0.603850 -0.000644 O\n0.556341 0.396150 0.500644 O\n0.943658 0.396150 0.000644 O\n0.443659 0.603850 0.499356 O\n0.355943 0.030803 0.844237 F\n0.855943 0.969198 0.655763 F\n0.360690 0.715676 0.155121 F\n0.860690 0.284324 0.344879 F\n0.639309 0.284324 0.844879 F\n0.622335 0.716284 0.993234 F\n0.877664 0.716284 0.493234 F\n0.377664 0.283716 0.006766 F\n0.122335 0.283717 0.506766 F\n0.144056 0.030803 0.344237 F\n0.139310 0.715677 0.655120 F\n0.644056 0.969197 0.155763 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Si",
"Hg",
"O",
"F"
],
"chemical_system": "F-Hg-O-Si",
"density": 6.6553298804743966,
"density_atomic": 0.07663955674356418,
"volume": 287.0580276659475,
"volume_molar": 7.857744767692319,
"formula_full": "Si2 Hg4 O4 F12",
"formula_reduced": "SiHg2(OF3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 0.2408805904545455,
"spacegroup": 14
},
{
"id": "jvasp-91567",
"created_at": "2022-09-04T14:35:51.344199Z",
"updated_at": "2022-09-04T14:35:51.344228Z",
"structure_string": "Si2 Hg2 P4\n1.0\n5.708804 0.000000 0.000000\n-0.000000 5.708804 -0.000000\n-2.854402 -2.854402 5.341514\nSi Hg P\n2 2 4\ndirect\n0.749999 0.250000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.250000 0.749999 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.125000 0.580818 0.749999 P\n0.625000 0.169181 0.749999 P\n0.419181 0.375000 0.250000 P\n0.830818 0.874999 0.250000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Si",
"Hg",
"P"
],
"chemical_system": "Hg-P-Si",
"density": 5.544398970353281,
"density_atomic": 0.0459552730283408,
"volume": 174.0823081404906,
"volume_molar": 13.104352043096602,
"formula_full": "Si2 Hg2 P4",
"formula_reduced": "SiHgP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.85189105,
"spacegroup": 122
},
{
"id": "jvasp-79285",
"created_at": "2022-09-04T14:37:12.622057Z",
"updated_at": "2022-09-04T14:37:12.622074Z",
"structure_string": "Si2 Hg1 Te1\n1.0\n-0.000000 3.569241 3.569241\n3.569241 0.000000 3.569241\n3.569241 3.569241 0.000000\nSi Hg Te\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Si\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Si",
"Hg",
"Te"
],
"chemical_system": "Hg-Si-Te",
"density": 7.01828171899941,
"density_atomic": 0.04398477516684068,
"volume": 90.94055806418052,
"volume_molar": 13.691421036386206,
"formula_full": "Si2 Hg1 Te1",
"formula_reduced": "Si2HgTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5517898916666668,
"spacegroup": 225
},
{
"id": "jvasp-118495",
"created_at": "2022-09-04T14:38:53.220835Z",
"updated_at": "2022-09-04T14:38:53.220860Z",
"structure_string": "Si2 H2 O2\n1.0\n3.284794 0.000000 0.000000\n0.000000 2.854500 0.000000\n0.000000 0.000000 6.614733\nSi H O\n2 2 2\ndirect\n0.499999 0.000000 0.773234 Si\n0.000000 0.500000 0.226765 Si\n0.000000 0.000000 0.862116 H\n0.499999 0.500000 0.137883 H\n0.000000 0.000000 0.360420 O\n0.499999 0.500000 0.639579 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Si",
"H",
"O"
],
"chemical_system": "H-O-Si",
"density": 2.4145498535130696,
"density_atomic": 0.09673881105016713,
"volume": 62.022676678220705,
"volume_molar": 6.225154821136905,
"formula_full": "Si2 H2 O2",
"formula_reduced": "SiHO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.094977366666667,
"spacegroup": 59
},
{
"id": "jvasp-5722",
"created_at": "2022-09-04T14:37:56.384679Z",
"updated_at": "2022-09-04T14:37:56.384698Z",
"structure_string": "Si2 H2\n1.0\n1.954034 -3.384487 -0.000000\n1.954034 3.384487 0.000000\n0.000000 0.000000 5.002141\nSi H\n2 2\ndirect\n0.333332 0.666666 0.928036 Si\n0.666666 0.333332 0.071964 Si\n0.333332 0.666666 0.627040 H\n0.666666 0.333332 0.372960 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Si",
"H"
],
"chemical_system": "H-Si",
"density": 1.4603712575720524,
"density_atomic": 0.06045734899686203,
"volume": 66.16234529581533,
"volume_molar": 9.960973909578094,
"formula_full": "Si2 H2",
"formula_reduced": "SiH",
"formula_anonymous": "AB",
"energy_above_hull": 1.9223643,
"spacegroup": 164
},
{
"id": "jvasp-33530",
"created_at": "2022-09-04T14:38:02.953098Z",
"updated_at": "2022-09-04T14:38:02.953130Z",
"structure_string": "Si2 H20 O8 F12\n1.0\n5.804642 0.000000 -1.557941\n0.000000 9.946337 0.000000\n0.058102 0.000000 6.447332\nSi H O F\n2 20 8 12\ndirect\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.610313 0.356008 0.631815 H\n0.389686 0.643992 0.368185 H\n0.610313 0.143992 0.131815 H\n0.744874 0.224495 0.736173 H\n0.255125 0.724495 0.763827 H\n0.255125 0.775505 0.263827 H\n0.744874 0.275505 0.236173 H\n0.432658 0.191860 0.628377 H\n0.567341 0.691860 0.871622 H\n0.389686 0.856009 0.868185 H\n0.432658 0.308140 0.128377 H\n0.173724 0.114862 0.649750 H\n0.826275 0.614862 0.850250 H\n0.826276 0.885139 0.350250 H\n0.173724 0.385138 0.149750 H\n0.216291 0.122302 0.410481 H\n0.783709 0.622302 0.089519 H\n0.783708 0.877699 0.589518 H\n0.216291 0.377698 0.910481 H\n0.567342 0.808140 0.371623 H\n0.597824 0.273915 0.715705 O\n0.402175 0.773915 0.784295 O\n0.402176 0.726086 0.284295 O\n0.597824 0.226085 0.215705 O\n0.706420 0.612982 0.933156 O\n0.706420 0.887018 0.433156 O\n0.293580 0.387018 0.066844 O\n0.293579 0.112982 0.566844 O\n0.969179 0.394473 0.279528 F\n0.066040 0.363987 0.668493 F\n0.933959 0.863987 0.831507 F\n0.933959 0.636013 0.331507 F\n0.066040 0.136013 0.168493 F\n0.282679 0.519838 0.509479 F\n0.717320 0.019838 0.990520 F\n0.717320 0.480162 0.490520 F\n0.282680 0.980162 0.009480 F\n0.030820 0.605527 0.720472 F\n0.969179 0.105527 0.779528 F\n0.030820 0.894473 0.220472 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Si",
"H",
"O",
"F"
],
"chemical_system": "F-H-O-Si",
"density": 1.9238552076980504,
"density_atomic": 0.11255932378776312,
"volume": 373.1365700027955,
"volume_molar": 5.350192731572449,
"formula_full": "Si2 H20 O8 F12",
"formula_reduced": "SiH10(O2F3)2",
"formula_anonymous": "AB4C6D10",
"energy_above_hull": 2.1897530616666665,
"spacegroup": 14
}
]
}