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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1153",
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"results": [
{
"id": "jvasp-29463",
"created_at": "2022-09-04T14:36:32.997818Z",
"updated_at": "2022-09-04T14:36:32.997848Z",
"structure_string": "Si6 Bi4 O18\n1.0\n6.844076 -0.000000 -0.000000\n-3.422038 5.927144 0.000000\n0.000000 0.000000 9.655470\nSi Bi O\n6 4 18\ndirect\n0.218235 0.280783 0.750000 Si\n0.719217 0.937451 0.750000 Si\n0.781765 0.719217 0.250000 Si\n0.937452 0.218235 0.250000 Si\n0.062548 0.781765 0.750000 Si\n0.280783 0.062548 0.250000 Si\n0.333333 0.666667 0.471291 Bi\n0.333333 0.666667 0.028709 Bi\n0.666667 0.333333 0.528709 Bi\n0.666667 0.333333 0.971291 Bi\n0.071460 0.656245 0.608817 O\n0.415215 0.071461 0.108817 O\n0.751769 0.946055 0.250000 O\n0.656246 0.584785 0.391183 O\n0.656246 0.584785 0.108817 O\n0.071460 0.656245 0.891183 O\n0.415215 0.071461 0.391183 O\n0.805715 0.751769 0.750000 O\n0.946056 0.194285 0.750000 O\n0.928540 0.343754 0.108817 O\n0.928540 0.343754 0.391183 O\n0.053944 0.805714 0.250000 O\n0.343754 0.415215 0.608817 O\n0.343754 0.415215 0.891183 O\n0.584785 0.928539 0.608817 O\n0.194285 0.248231 0.250000 O\n0.248231 0.053945 0.750000 O\n0.584785 0.928539 0.891183 O\n",
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"volume": 391.6820966470838,
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"formula_full": "Si6 Bi4 O18",
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"formula_anonymous": "A2B3C9",
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"spacegroup": 176
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{
"id": "jvasp-56593",
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"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,
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"volume": 155.7022325492821,
"volume_molar": 13.395153729400436,
"formula_full": "Si3 As4",
"formula_reduced": "Si3As4",
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"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,
"nelements": 2,
"elements": [
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"As"
],
"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-37225",
"created_at": "2022-09-04T14:37:59.909911Z",
"updated_at": "2022-09-04T14:37:59.909931Z",
"structure_string": "Si6 As2\n1.0\n2.863143 -4.959110 -0.000000\n2.863143 4.959110 -0.000000\n-0.000000 0.000000 4.818376\nSi As\n6 2\ndirect\n0.682922 0.841460 0.750001 Si\n0.158539 0.317077 0.750001 Si\n0.158538 0.841461 0.750001 Si\n0.317077 0.158539 0.250000 Si\n0.841460 0.682922 0.250000 Si\n0.841461 0.158538 0.250000 Si\n0.333333 0.666667 0.250000 As\n0.666667 0.333333 0.750001 As\n",
"nsites": 8,
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"elements": [
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"chemical_system": "As-Si",
"density": 3.8635358451511337,
"density_atomic": 0.05846723060231574,
"volume": 136.82878285128047,
"volume_molar": 10.300027379373565,
"formula_full": "Si6 As2",
"formula_reduced": "Si3As",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0978343875,
"spacegroup": 194
},
{
"id": "jvasp-55235",
"created_at": "2022-09-04T14:37:32.090797Z",
"updated_at": "2022-09-04T14:37:32.090814Z",
"structure_string": "Si6 Ag6 Sn4 P12\n1.0\n8.553997 0.000000 -3.024295\n-4.276998 7.407978 -3.024295\n-0.000000 -0.000000 9.072883\nSi Ag Sn P\n6 6 4 12\ndirect\n0.250000 0.750000 0.500000 Si\n0.500000 0.750000 0.250001 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.500000 0.750000 Si\n0.750000 0.500000 0.250001 Si\n0.500000 0.250000 0.750000 Si\n0.803195 0.803195 0.000001 Ag\n-0.000000 0.803195 0.803195 Ag\n0.196805 0.196805 0.000000 Ag\n0.196805 0.000000 0.196805 Ag\n0.803195 0.000000 0.803195 Ag\n-0.000000 0.196805 0.196805 Ag\n0.408250 -0.000000 0.000000 Sn\n0.591750 0.591750 0.591750 Sn\n0.000000 0.000000 0.408250 Sn\n-0.000000 0.408250 0.000000 Sn\n0.497555 0.250990 0.497555 P\n0.497555 0.497555 0.250990 P\n0.502445 0.753435 0.000001 P\n-0.000000 0.502445 0.753435 P\n0.502445 0.000000 0.753435 P\n0.753435 0.000000 0.502445 P\n0.753435 0.502445 0.000001 P\n-0.000000 0.753435 0.502445 P\n0.749010 0.246565 0.246565 P\n0.246565 0.749010 0.246565 P\n0.246565 0.246565 0.749010 P\n0.250990 0.497555 0.497555 P\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Ag",
"Sn",
"P"
],
"chemical_system": "Ag-P-Si-Sn",
"density": 4.800988406065086,
"density_atomic": 0.048701680066959754,
"volume": 574.928831233397,
"volume_molar": 12.365365530963574,
"formula_full": "Si6 Ag6 Sn4 P12",
"formula_reduced": "Si3Ag3(SnP3)2",
"formula_anonymous": "A2B3C3D6",
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"spacegroup": 217
},
{
"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",
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],
"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-117122",
"created_at": "2022-09-04T14:38:48.022846Z",
"updated_at": "2022-09-04T14:38:48.022870Z",
"structure_string": "Si4 W2 O12\n1.0\n6.365150 0.281966 1.595605\n0.286967 6.364926 1.595605\n-0.028356 -0.028333 5.140802\nSi W O\n4 2 12\ndirect\n0.784097 0.590532 0.775901 Si\n0.409469 0.215904 0.724096 Si\n0.590531 0.784098 0.275901 Si\n0.215903 0.409469 0.224096 Si\n0.930031 0.069969 0.749999 W\n0.069969 0.930032 0.249999 W\n0.042741 0.226832 0.334846 O\n0.773169 0.957260 0.165151 O\n0.353625 0.894654 0.325294 O\n0.105347 0.646376 0.174704 O\n0.646375 0.105348 0.674704 O\n0.354538 0.374251 0.453813 O\n0.625750 0.645462 0.046185 O\n0.957259 0.773170 0.665151 O\n0.374250 0.354539 0.953813 O\n0.645462 0.625751 0.546185 O\n0.894653 0.353626 0.825293 O\n0.226831 0.042742 0.834846 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Si",
"W",
"O"
],
"chemical_system": "O-Si-W",
"density": 5.354459576119583,
"density_atomic": 0.08636946193756094,
"volume": 208.40699474326627,
"volume_molar": 6.972534765069608,
"formula_full": "Si4 W2 O12",
"formula_reduced": "Si2WO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.4873698,
"spacegroup": 15
},
{
"id": "jvasp-8189",
"created_at": "2022-09-04T14:37:04.941730Z",
"updated_at": "2022-09-04T14:37:04.941740Z",
"structure_string": "Si6 W3\n1.0\n2.322404 -4.022523 -0.000000\n2.322404 4.022523 -0.000000\n-0.000000 0.000000 6.671152\nSi W\n6 3\ndirect\n0.163834 0.327669 0.000000 Si\n0.327669 0.163834 0.666667 Si\n0.836165 0.163834 0.333333 Si\n0.836164 0.672329 0.000000 Si\n0.672329 0.836164 0.666667 Si\n0.163834 0.836165 0.333333 Si\n0.499999 0.499999 0.333333 W\n-0.000000 0.499999 0.666667 W\n0.499999 -0.000000 0.000000 W\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Si",
"W"
],
"chemical_system": "Si-W",
"density": 9.592556372567888,
"density_atomic": 0.072206346472206,
"volume": 124.64278335235147,
"volume_molar": 8.340182067400502,
"formula_full": "Si6 W3",
"formula_reduced": "Si2W",
"formula_anonymous": "AB2",
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"spacegroup": 180
},
{
"id": "jvasp-19780",
"created_at": "2022-09-04T14:38:31.950949Z",
"updated_at": "2022-09-04T14:38:31.950974Z",
"structure_string": "Si2 W1\n1.0\n3.040496 0.000000 -1.148863\n-0.434102 3.009347 -1.148863\n-0.010274 -0.011862 4.570618\nSi W\n2 1\ndirect\n0.335307 0.335306 0.670612 Si\n0.664696 0.664696 0.329391 Si\n0.000000 0.000000 0.000000 W\n",
"nsites": 3,
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"elements": [
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],
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"density": 9.548827842166197,
"density_atomic": 0.07187718735191828,
"volume": 41.737860238070866,
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"formula_full": "Si2 W1",
"formula_reduced": "Si2W",
"formula_anonymous": "AB2",
"energy_above_hull": 4.186029066666666,
"spacegroup": 139
},
{
"id": "jvasp-100051",
"created_at": "2022-09-04T14:36:16.898232Z",
"updated_at": "2022-09-04T14:36:16.898258Z",
"structure_string": "Si4 Te2 N4\n1.0\n6.693822 -0.004874 0.000000\n-2.385606 5.128013 -0.000000\n-0.000000 -0.000000 5.014249\nSi Te N\n4 2 4\ndirect\n0.605393 0.158843 0.862814 Si\n0.394606 0.553449 0.862814 Si\n0.394606 0.841157 0.362814 Si\n0.605393 0.446551 0.362814 Si\n-0.000001 0.763586 0.467545 Te\n-0.000000 0.236414 0.967545 Te\n0.525422 0.144603 0.200214 N\n0.474577 0.619180 0.200214 N\n0.474577 0.855397 0.700214 N\n0.525422 0.380820 0.700214 N\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "N-Si-Te",
"density": 4.087813018107357,
"density_atomic": 0.05811897713927507,
"volume": 172.06083954361782,
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"formula_full": "Si4 Te2 N4",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 3.608518293333333,
"spacegroup": 36
},
{
"id": "jvasp-82003",
"created_at": "2022-09-04T14:37:18.164362Z",
"updated_at": "2022-09-04T14:37:18.164391Z",
"structure_string": "Si2 Tc1 Rh1\n1.0\n-8.481947 -0.000001 -4.897053\n-5.470683 -1.155591 -0.318607\n-4.106126 2.703961 -2.682089\nSi Tc Rh\n2 1 1\ndirect\n0.742670 0.000001 0.000001 Si\n0.257329 0.000000 0.000000 Si\n0.000000 0.000000 0.000000 Tc\n0.499999 0.000001 0.000000 Rh\n",
"nsites": 4,
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],
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"density": 6.876364052890488,
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"volume": 62.08012956721699,
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"formula_full": "Si2 Tc1 Rh1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-37215",
"created_at": "2022-09-04T14:37:54.783174Z",
"updated_at": "2022-09-04T14:37:54.783194Z",
"structure_string": "Si2 Tc1 Os1\n1.0\n0.000000 2.975504 2.975504\n2.975504 -0.000000 2.975504\n2.975504 2.975504 -0.000000\nSi Tc Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.499998 0.499998 0.499998 Si\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Os\n",
"nsites": 4,
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"density": 10.854301737527825,
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"formula_full": "Si2 Tc1 Os1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
}
]
}