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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=3501",
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{
"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",
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"elements": [
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{
"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",
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"elements": [
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],
"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",
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"spacegroup": 14
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{
"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",
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],
"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-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": [
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],
"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-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,
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"elements": [
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"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-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,
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"elements": [
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"Ir"
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"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",
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"spacegroup": 225
},
{
"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,
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"elements": [
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"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-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,
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"elements": [
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"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",
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"spacegroup": 140
},
{
"id": "jvasp-20471",
"created_at": "2022-09-04T14:37:44.076957Z",
"updated_at": "2022-09-04T14:37:44.076982Z",
"structure_string": "Si2 Ir6\n1.0\n4.649093 -0.000000 -2.551502\n-1.400308 4.433194 -2.551502\n-0.003387 -0.004622 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",
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"density_atomic": 0.07057596051109628,
"volume": 113.3530446070543,
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},
{
"id": "jvasp-14970",
"created_at": "2022-09-04T14:35:49.016503Z",
"updated_at": "2022-09-04T14:35:49.016518Z",
"structure_string": "Si2 Mo1\n1.0\n3.031530 0.000000 -1.142981\n-0.430939 3.000744 -1.142981\n-0.007486 -0.008638 4.571900\nSi Mo\n2 1\ndirect\n0.664192 0.664192 0.328385 Si\n0.335806 0.335806 0.671614 Si\n0.000000 0.000000 0.000000 Mo\n",
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"elements": [
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"density": 6.082018171442515,
"density_atomic": 0.07223692477065183,
"volume": 41.53000711927911,
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},
{
"id": "jvasp-75502",
"created_at": "2022-09-04T14:36:16.649604Z",
"updated_at": "2022-09-04T14:36:16.649620Z",
"structure_string": "Si2 Mo1 As1\n1.0\n-0.000000 3.151857 3.151857\n3.151857 0.000000 3.151857\n3.151857 3.151857 -0.000000\nSi Mo As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Si\n0.750001 0.750001 0.750001 Mo\n0.500000 0.500000 0.500000 As\n",
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"volume": 62.62237168349365,
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"formula_full": "Si2 Mo1 As1",
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"spacegroup": 216
},
{
"id": "jvasp-19652",
"created_at": "2022-09-04T14:38:19.590601Z",
"updated_at": "2022-09-04T14:38:19.590617Z",
"structure_string": "Si2 Mo6\n1.0\n4.917917 0.000000 0.000000\n0.000000 4.917917 0.000000\n0.000000 0.000000 4.917917\nSi Mo\n2 6\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.750000 Mo\n0.500000 0.750000 0.000000 Mo\n0.500000 0.250000 0.000000 Mo\n0.750000 0.000000 0.500000 Mo\n0.250000 0.000000 0.500000 Mo\n",
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"formula_full": "Si2 Mo6",
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}
]
}