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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1140",
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"results": [
{
"id": "jvasp-90508",
"created_at": "2022-09-04T14:35:56.509636Z",
"updated_at": "2022-09-04T14:35:56.509669Z",
"structure_string": "Si3 O6\n1.0\n4.903635 -0.722480 -0.141777\n-3.077503 3.885434 0.141777\n-0.049862 0.028788 5.716901\nSi O\n3 6\ndirect\n0.064221 0.533694 0.985606 Si\n0.554364 0.554363 0.666667 Si\n0.533695 0.064220 0.347727 Si\n0.047032 0.567419 0.281266 O\n0.245462 0.392823 0.875810 O\n0.666915 0.928074 0.541781 O\n0.392823 0.245462 0.457522 O\n0.928076 0.666913 0.791552 O\n0.567420 0.047032 0.052068 O\n",
"nsites": 9,
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{
"id": "jvasp-34219",
"created_at": "2022-09-04T14:37:14.978357Z",
"updated_at": "2022-09-04T14:37:14.978372Z",
"structure_string": "Si3 O6\n1.0\n2.468672 -4.275866 0.000000\n2.468672 4.275866 -0.000000\n0.000000 0.000000 5.449193\nSi O\n3 6\ndirect\n-0.000000 0.465518 0.333333 Si\n0.534482 0.534482 0.000000 Si\n0.465518 -0.000000 0.666667 Si\n0.137430 0.725521 0.552806 O\n0.588090 0.862569 0.886139 O\n0.274478 0.411909 0.219473 O\n0.411909 0.274478 0.780526 O\n0.862569 0.588090 0.113860 O\n0.725521 0.137430 0.447193 O\n",
"nsites": 9,
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"elements": [
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"volume": 115.04020938545551,
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"formula_full": "Si3 O6",
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"spacegroup": 154
},
{
"id": "jvasp-58260",
"created_at": "2022-09-04T14:37:12.664030Z",
"updated_at": "2022-09-04T14:37:12.664050Z",
"structure_string": "Si3 O6\n1.0\n2.550873 -4.418242 -0.000000\n2.550873 4.418242 -0.000000\n-0.000000 -0.000000 5.594974\nSi O\n3 6\ndirect\n-0.000000 0.500000 0.833332 Si\n0.500000 -0.000000 0.500000 Si\n0.499999 0.499999 0.166667 Si\n0.584077 0.792037 0.333333 O\n0.792037 0.207961 0.666666 O\n0.792037 0.584077 0.000000 O\n0.415922 0.207961 0.333333 O\n0.207961 0.792037 0.666666 O\n0.207961 0.415922 0.000000 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
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],
"chemical_system": "O-Si",
"density": 2.373367292107579,
"density_atomic": 0.07136349385708654,
"volume": 126.11490152126684,
"volume_molar": 8.4386854321623,
"formula_full": "Si3 O6",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3907418666666669,
"spacegroup": 181
},
{
"id": "jvasp-2790",
"created_at": "2022-09-04T14:36:46.525550Z",
"updated_at": "2022-09-04T14:36:46.525577Z",
"structure_string": "Si3 Ni1 P4\n1.0\n4.770924 -0.000000 -2.128604\n-0.949702 4.675444 -2.128604\n-0.001109 -0.001357 6.408445\nSi Ni P\n3 1 4\ndirect\n0.250000 0.749999 0.500001 Si\n0.500000 0.500000 0.000000 Si\n0.749999 0.249999 0.500001 Si\n0.000000 0.000000 0.000000 Ni\n0.639805 0.123040 0.762846 P\n0.123041 0.639804 0.762846 P\n0.876959 0.876958 0.237156 P\n0.360194 0.360194 0.237155 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Si",
"Ni",
"P"
],
"chemical_system": "Ni-P-Si",
"density": 3.1003719946399038,
"density_atomic": 0.05597520719496094,
"volume": 142.92041782241378,
"volume_molar": 10.758585920057358,
"formula_full": "Si3 Ni1 P4",
"formula_reduced": "Si3NiP4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.2205687750000003,
"spacegroup": 121
},
{
"id": "jvasp-37213",
"created_at": "2022-09-04T14:37:53.460948Z",
"updated_at": "2022-09-04T14:37:53.460979Z",
"structure_string": "Si3 H1\n1.0\n0.000000 2.945761 2.945761\n2.945761 -0.000000 2.945761\n2.945761 2.945761 0.000000\nSi H\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500001 0.500001 0.500001 Si\n0.249999 0.249999 0.249999 Si\n0.749999 0.749999 0.749999 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"H"
],
"chemical_system": "H-Si",
"density": 2.769456331166942,
"density_atomic": 0.07824155467730312,
"volume": 51.123728516099504,
"volume_molar": 7.696857232499428,
"formula_full": "Si3 H1",
"formula_reduced": "Si3H",
"formula_anonymous": "AB3",
"energy_above_hull": 3.1697564499999995,
"spacegroup": 225
},
{
"id": "jvasp-39087",
"created_at": "2022-09-04T14:37:55.837081Z",
"updated_at": "2022-09-04T14:37:55.837105Z",
"structure_string": "Si3 Ge1\n1.0\n-0.000000 3.224091 3.224091\n3.224091 0.000000 3.224091\n3.224091 3.224091 0.000000\nSi Ge\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.250001 0.250001 0.250001 Si\n0.750000 0.750000 0.750000 Ge\n",
"nsites": 4,
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"elements": [
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"Ge"
],
"chemical_system": "Ge-Si",
"density": 3.886963688859159,
"density_atomic": 0.05967715652397078,
"volume": 67.02732222828517,
"volume_molar": 10.091199230615254,
"formula_full": "Si3 Ge1",
"formula_reduced": "Si3Ge",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7111729375,
"spacegroup": 225
},
{
"id": "jvasp-39091",
"created_at": "2022-09-04T14:38:05.821792Z",
"updated_at": "2022-09-04T14:38:05.821823Z",
"structure_string": "Si3 F1\n1.0\n-2.140379 2.140379 3.027150\n2.140379 -2.140379 3.027150\n2.140379 2.140379 -3.027150\nSi F\n3 1\ndirect\n0.749998 0.249999 0.499999 Si\n0.249999 0.749998 0.499999 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"F"
],
"chemical_system": "F-Si",
"density": 3.0908966649374334,
"density_atomic": 0.07210820685675805,
"volume": 55.4721879015234,
"volume_molar": 8.351533095203573,
"formula_full": "Si3 F1",
"formula_reduced": "Si3F",
"formula_anonymous": "AB3",
"energy_above_hull": 2.2916965375,
"spacegroup": 225
},
{
"id": "jvasp-37212",
"created_at": "2022-09-04T14:37:53.249409Z",
"updated_at": "2022-09-04T14:37:53.249424Z",
"structure_string": "Si3 B12\n1.0\n3.117275 1.799760 4.182100\n-3.117275 1.799760 4.182100\n0.000000 -3.599519 4.182100\nSi B\n3 12\ndirect\n0.327420 0.327420 0.327420 Si\n0.672580 0.672580 0.672580 Si\n0.500000 0.500000 0.500000 Si\n0.823745 0.274226 0.823746 B\n0.823746 0.823746 0.274225 B\n0.274226 0.823745 0.823746 B\n0.725774 0.176254 0.176254 B\n0.176254 0.176254 0.725776 B\n0.176254 0.725774 0.176254 B\n0.985919 0.677526 0.985920 B\n0.985920 0.985920 0.677525 B\n0.677526 0.985919 0.985920 B\n0.322474 0.014081 0.014080 B\n0.014080 0.014080 0.322475 B\n0.014081 0.322474 0.014080 B\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Si",
"B"
],
"chemical_system": "B-Si",
"density": 2.52408651656929,
"density_atomic": 0.10655061579326416,
"volume": 140.77816339516883,
"volume_molar": 5.651906105999909,
"formula_full": "Si3 B12",
"formula_reduced": "SiB4",
"formula_anonymous": "AB4",
"energy_above_hull": 4.533077786666667,
"spacegroup": 166
},
{
"id": "jvasp-56593",
"created_at": "2022-09-04T14:37:07.849547Z",
"updated_at": "2022-09-04T14:37:07.849564Z",
"structure_string": "Si3 As4\n1.0\n5.379778 0.000000 0.000000\n0.000000 5.379778 0.000000\n0.000000 -0.000000 5.379800\nSi As\n3 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.721365 0.721365 0.778629 As\n0.278635 0.278635 0.778629 As\n0.721365 0.278635 0.221371 As\n0.278635 0.721365 0.221371 As\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Si",
"As"
],
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"density": 4.094688780983935,
"density_atomic": 0.04495760841312532,
"volume": 155.7022325492821,
"volume_molar": 13.395153729400436,
"formula_full": "Si3 As4",
"formula_reduced": "Si3As4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.0425889714285708,
"spacegroup": 215
},
{
"id": "jvasp-39088",
"created_at": "2022-09-04T14:37:49.398460Z",
"updated_at": "2022-09-04T14:37:49.398469Z",
"structure_string": "Si3 As1\n1.0\n0.000000 3.230997 3.230997\n3.230997 0.000000 3.230997\n3.230997 3.230997 0.000000\nSi As\n3 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.250000 0.250000 0.250000 Si\n0.750001 0.750001 0.750001 As\n",
"nsites": 4,
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"elements": [
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"chemical_system": "As-Si",
"density": 3.9182555191684356,
"density_atomic": 0.059295308282316654,
"volume": 67.45896287367647,
"volume_molar": 10.156184248722345,
"formula_full": "Si3 As1",
"formula_reduced": "Si3As",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0943168875,
"spacegroup": 225
},
{
"id": "jvasp-37239",
"created_at": "2022-09-04T14:38:04.965020Z",
"updated_at": "2022-09-04T14:38:04.965040Z",
"structure_string": "Si3 Ag1\n1.0\n-2.131231 2.131231 3.708748\n2.131231 -2.131231 3.708748\n2.131231 2.131231 -3.708748\nSi Ag\n3 1\ndirect\n0.750000 0.250001 0.499999 Si\n0.250001 0.750000 0.499999 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
"Si",
"Ag"
],
"chemical_system": "Ag-Si",
"density": 4.7346069815696135,
"density_atomic": 0.059362423876043506,
"volume": 67.38269327331584,
"volume_molar": 10.144701591995329,
"formula_full": "Si3 Ag1",
"formula_reduced": "Si3Ag",
"formula_anonymous": "AB3",
"energy_above_hull": 2.436820765,
"spacegroup": 139
},
{
"id": "jvasp-25148",
"created_at": "2022-09-04T14:37:44.905592Z",
"updated_at": "2022-09-04T14:37:44.905619Z",
"structure_string": "Si34\n1.0\n9.092536 0.000000 5.249579\n3.030846 8.572525 5.249579\n0.000000 0.000000 10.499156\nSi\n34\ndirect\n0.875001 0.875000 0.875000 Si\n0.739186 0.504410 0.128203 Si\n0.871797 0.260814 0.871797 Si\n0.260815 0.871797 0.871797 Si\n0.871798 0.871797 0.260814 Si\n0.871798 0.871797 0.495591 Si\n0.871797 0.495591 0.260814 Si\n0.495591 0.871797 0.260814 Si\n0.128203 0.504410 0.128203 Si\n0.128203 0.739186 0.504409 Si\n0.739186 0.128203 0.504409 Si\n0.504410 0.128203 0.128203 Si\n0.128203 0.504410 0.739186 Si\n0.504410 0.128203 0.739186 Si\n0.128203 0.739186 0.128203 Si\n0.739186 0.128203 0.128203 Si\n0.495591 0.260814 0.871797 Si\n0.260815 0.495591 0.871797 Si\n0.125000 0.125000 0.125000 Si\n0.762719 0.762718 0.762718 Si\n0.237282 0.237282 0.788154 Si\n0.788154 0.237282 0.237282 Si\n0.237282 0.788154 0.237282 Si\n0.211846 0.762718 0.762718 Si\n0.504410 0.739186 0.128203 Si\n0.762718 0.211846 0.762718 Si\n0.237282 0.237282 0.237282 Si\n0.128203 0.128203 0.739186 Si\n0.871797 0.260814 0.495591 Si\n0.495591 0.871797 0.871797 Si\n0.871797 0.495591 0.871797 Si\n0.260815 0.871797 0.495591 Si\n0.762719 0.762718 0.211846 Si\n0.128203 0.128203 0.504409 Si\n",
"nsites": 34,
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"volume": 818.3671314033057,
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"formula_full": "Si34",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy_above_hull": 0.3911500000000001,
"spacegroup": 227
}
]
}