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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=3507",
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"results": [
{
"id": "jvasp-88050",
"created_at": "2022-09-04T14:35:50.669391Z",
"updated_at": "2022-09-04T14:35:50.669417Z",
"structure_string": "Si3 O6\n1.0\n5.273615 0.017146 -0.695418\n-0.795361 5.213321 -0.695422\n0.014687 0.017149 5.319248\nSi O\n3 6\ndirect\n0.716509 0.283491 0.500000 Si\n0.499999 0.716510 0.283492 Si\n0.283491 0.499999 0.716510 Si\n0.308451 0.691549 0.500002 O\n0.499998 0.308451 0.691550 O\n0.691551 0.500000 0.308450 O\n0.000002 0.331956 0.668046 O\n0.668046 0.000001 0.331954 O\n0.331954 0.668044 -0.000002 O\n",
"nsites": 9,
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"elements": [
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{
"id": "jvasp-37223",
"created_at": "2022-09-04T14:37:43.709446Z",
"updated_at": "2022-09-04T14:37:43.709473Z",
"structure_string": "Si3 Os1\n1.0\n-2.152902 2.152902 3.045768\n2.152902 -2.152902 3.045768\n2.152902 2.152902 -3.045768\nSi Os\n3 1\ndirect\n0.750000 0.249999 0.500000 Si\n0.249999 0.750000 0.500000 Si\n0.500001 0.500001 0.000000 Si\n0.000000 0.000000 0.000000 Os\n",
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"elements": [
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"density": 8.071695197115853,
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"volume": 56.468380603267086,
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{
"id": "jvasp-39084",
"created_at": "2022-09-04T14:37:48.443325Z",
"updated_at": "2022-09-04T14:37:48.443344Z",
"structure_string": "Si3 P1\n1.0\n-0.000000 3.134965 3.134965\n3.134965 -0.000000 3.134965\n3.134965 3.134965 -0.000000\nSi P\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.250001 0.250001 0.250001 Si\n0.749997 0.749997 0.749997 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "P-Si",
"density": 3.105185585541567,
"density_atomic": 0.06491303365609498,
"volume": 61.620906845792156,
"volume_molar": 9.2772443696052,
"formula_full": "Si3 P1",
"formula_reduced": "Si3P",
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"energy_above_hull": 3.259697824999999,
"spacegroup": 225
},
{
"id": "jvasp-101122",
"created_at": "2022-09-04T14:36:42.006244Z",
"updated_at": "2022-09-04T14:36:42.006257Z",
"structure_string": "Si3 P3 Ir1\n1.0\n4.700803 0.003103 -1.528420\n-0.996696 4.591905 -1.597064\n-0.004395 -0.002425 5.539664\nSi P Ir\n3 3 1\ndirect\n0.412953 0.401714 0.637594 Si\n0.594365 0.590725 0.366178 Si\n0.288854 0.841193 0.841352 Si\n0.160116 0.707786 0.154890 P\n0.845652 0.293634 0.850351 P\n0.705474 0.161029 0.148884 P\n0.998382 0.998117 0.500752 Ir\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"P",
"Ir"
],
"chemical_system": "Ir-P-Si",
"density": 5.131221606343938,
"density_atomic": 0.05855701806355394,
"volume": 119.54160630930113,
"volume_molar": 10.284233998158792,
"formula_full": "Si3 P3 Ir1",
"formula_reduced": "Si3P3Ir",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.689113342857143,
"spacegroup": 1
},
{
"id": "jvasp-106000",
"created_at": "2022-09-04T14:35:50.794599Z",
"updated_at": "2022-09-04T14:35:50.794635Z",
"structure_string": "Si3 P3 Rh1\n1.0\n4.692116 0.003614 -1.545030\n-0.978886 4.589920 -1.605013\n-0.006214 -0.005739 5.567102\nSi P Rh\n3 3 1\ndirect\n0.586442 0.602270 0.364770 Si\n0.403424 0.409494 0.632812 Si\n0.712258 0.159180 0.158966 Si\n0.839540 0.291756 0.844478 P\n0.150928 0.708918 0.148057 P\n0.292285 0.839911 0.851753 P\n0.000725 0.002867 0.499164 Rh\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"P",
"Rh"
],
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"density": 3.881588481498028,
"density_atomic": 0.05842130312352051,
"volume": 119.8193060705931,
"volume_molar": 10.308124670323345,
"formula_full": "Si3 P3 Rh1",
"formula_reduced": "Si3P3Rh",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.411600757142857,
"spacegroup": 1
},
{
"id": "jvasp-52894",
"created_at": "2022-09-04T14:36:05.179152Z",
"updated_at": "2022-09-04T14:36:05.179178Z",
"structure_string": "Si3 Pd6\n1.0\n3.271013 -5.665561 -0.000000\n3.271013 5.665561 -0.000000\n0.000000 -0.000000 3.532934\nSi Pd\n3 6\ndirect\n0.666666 0.333333 0.000000 Si\n0.333333 0.666666 0.000000 Si\n0.000000 0.000000 0.499999 Si\n0.266003 0.266003 0.000000 Pd\n-0.000000 0.733996 0.000000 Pd\n0.733996 -0.000000 0.000000 Pd\n0.606894 0.606894 0.499999 Pd\n-0.000000 0.393106 0.499999 Pd\n0.393106 -0.000000 0.499999 Pd\n",
"nsites": 9,
"nelements": 2,
"elements": [
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"Pd"
],
"chemical_system": "Pd-Si",
"density": 9.165631890683262,
"density_atomic": 0.06873086338197619,
"volume": 130.94553970582214,
"volume_molar": 8.761916355584777,
"formula_full": "Si3 Pd6",
"formula_reduced": "SiPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7091833333333335,
"spacegroup": 189
},
{
"id": "jvasp-86830",
"created_at": "2022-09-04T14:36:14.275014Z",
"updated_at": "2022-09-04T14:36:14.275039Z",
"structure_string": "Si3 Pd6\n1.0\n7.809656 0.000000 -0.000000\n-3.904828 6.763361 -0.000000\n-0.000000 -0.000000 2.765870\nSi Pd\n3 6\ndirect\n0.000000 0.000000 0.500000 Si\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n-0.000000 0.253877 0.000000 Pd\n0.602113 -0.000000 0.000000 Pd\n0.746123 0.746122 0.000000 Pd\n-0.000000 0.602113 0.000000 Pd\n0.397887 0.397887 0.000000 Pd\n0.253878 -0.000000 0.000000 Pd\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"Pd"
],
"chemical_system": "Pd-Si",
"density": 8.215365389328708,
"density_atomic": 0.06160504403203506,
"volume": 146.09193356504926,
"volume_molar": 9.775402086992171,
"formula_full": "Si3 Pd6",
"formula_reduced": "SiPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.85507,
"spacegroup": 189
},
{
"id": "jvasp-86228",
"created_at": "2022-09-04T14:36:14.089417Z",
"updated_at": "2022-09-04T14:36:14.089428Z",
"structure_string": "Si3 Pd6\n1.0\n7.809887 0.000000 0.000000\n-3.904943 6.763561 0.000000\n-0.000000 0.000000 2.765675\nSi Pd\n3 6\ndirect\n0.000000 0.000000 0.500001 Si\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.000000 0.253878 0.000000 Pd\n0.602124 -0.000000 0.000000 Pd\n0.746123 0.746122 0.000000 Pd\n0.000000 0.602124 0.000000 Pd\n0.397876 0.397876 0.000000 Pd\n0.253878 -0.000000 0.000000 Pd\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"Pd"
],
"chemical_system": "Pd-Si",
"density": 8.21545868128865,
"density_atomic": 0.06160574360594658,
"volume": 146.09027459464448,
"volume_molar": 9.775291080844456,
"formula_full": "Si3 Pd6",
"formula_reduced": "SiPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.85507,
"spacegroup": 189
},
{
"id": "jvasp-35269",
"created_at": "2022-09-04T14:37:29.512648Z",
"updated_at": "2022-09-04T14:37:29.512680Z",
"structure_string": "Si3 Pt6\n1.0\n3.283566 -5.687304 -0.000000\n3.283566 5.687304 0.000000\n0.000000 0.000000 3.631705\nSi Pt\n3 6\ndirect\n0.333334 0.666668 0.000000 Si\n0.666668 0.333334 0.000000 Si\n0.000000 0.000000 0.500001 Si\n0.622973 0.000001 0.500001 Pt\n0.000001 0.622973 0.500001 Pt\n0.377027 0.377027 0.500001 Pt\n0.718223 0.718223 0.000000 Pt\n0.000000 0.281778 0.000000 Pt\n0.281778 0.000000 0.000000 Pt\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"Pt"
],
"chemical_system": "Pt-Si",
"density": 15.360918446735218,
"density_atomic": 0.06635134896976691,
"volume": 135.64155273016172,
"volume_molar": 9.076139149399957,
"formula_full": "Si3 Pt6",
"formula_reduced": "SiPt2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.299500466666667,
"spacegroup": 189
},
{
"id": "jvasp-37224",
"created_at": "2022-09-04T14:37:57.117746Z",
"updated_at": "2022-09-04T14:37:57.117758Z",
"structure_string": "Si3 Ru1\n1.0\n0.000000 3.041082 3.041082\n3.041082 -0.000000 3.041082\n3.041082 3.041082 0.000000\nSi Ru\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.250000 0.250000 0.250000 Si\n0.750001 0.750001 0.750001 Ru\n",
"nsites": 4,
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"elements": [
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"Ru"
],
"chemical_system": "Ru-Si",
"density": 5.471069525295284,
"density_atomic": 0.07111244382311335,
"volume": 56.2489458237392,
"volume_molar": 8.468476733804291,
"formula_full": "Si3 Ru1",
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"formula_anonymous": "AB3",
"energy_above_hull": 3.5507065749999995,
"spacegroup": 225
},
{
"id": "jvasp-37216",
"created_at": "2022-09-04T14:37:56.941168Z",
"updated_at": "2022-09-04T14:37:56.941197Z",
"structure_string": "Si3 Se1\n1.0\n-0.000000 3.273125 3.273125\n3.273125 -0.000000 3.273125\n3.273125 3.273125 0.000000\nSi Se\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.499999 0.499999 0.499999 Si\n0.249999 0.249999 0.249999 Si\n0.749998 0.749998 0.749998 Se\n",
"nsites": 4,
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"elements": [
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],
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"density": 3.8645184825908383,
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"volume": 70.13224953759764,
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"formula_full": "Si3 Se1",
"formula_reduced": "Si3Se",
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"spacegroup": 225
},
{
"id": "jvasp-25094",
"created_at": "2022-09-04T14:37:38.379349Z",
"updated_at": "2022-09-04T14:37:38.379371Z",
"structure_string": "Si4\n1.0\n0.000000 0.000000 -3.491651\n0.000000 -3.550399 0.000000\n-5.358982 1.775200 0.000000\nSi\n4\ndirect\n0.000000 0.641897 0.783797 Si\n0.000000 0.404181 0.308357 Si\n0.500000 0.848559 0.197122 Si\n0.500000 0.086284 0.672563 Si\n",
"nsites": 4,
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"elements": [
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"density": 2.8080249322924202,
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"volume": 66.43398271669996,
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"formula_full": "Si4",
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"formula_anonymous": "A",
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"spacegroup": 63
}
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}