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{
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"results": [
{
"id": "jvasp-112520",
"created_at": "2022-09-04T14:38:41.595143Z",
"updated_at": "2022-09-04T14:38:41.595169Z",
"structure_string": "Si5 H8 Cl4\n1.0\n7.116505 -0.022838 -1.661057\n-4.484552 5.525753 -1.661057\n0.010923 0.022838 7.307779\nSi H Cl\n5 8 4\ndirect\n0.250000 0.750000 0.499999 Si\n0.850074 0.613597 0.374220 Si\n0.239377 0.475854 0.625779 Si\n0.386402 0.760622 0.236476 Si\n0.524146 0.149925 0.763523 Si\n0.664844 0.327311 0.685347 H\n0.641964 0.979496 0.314651 H\n0.020503 0.335156 0.662468 H\n0.672688 0.358035 0.337531 H\n0.408555 0.221976 0.870872 H\n0.351103 0.537683 0.129127 H\n0.462316 0.591445 0.813421 H\n0.778023 0.648896 0.186578 H\n0.823764 0.814527 0.607711 Cl\n0.206816 0.216052 0.392288 Cl\n0.185472 0.793184 0.009237 Cl\n0.783947 0.176235 0.990762 Cl\n",
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{
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"created_at": "2022-09-04T14:35:56.757765Z",
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"structure_string": "Si5 P6 O25\n1.0\n7.159151 -0.002785 5.953484\n2.790560 6.592891 5.953484\n-0.004204 -0.002785 9.311142\nSi P O\n5 6 25\ndirect\n0.179672 0.179671 0.179672 Si\n0.000000 0.000000 0.000000 Si\n0.820329 0.820327 0.820328 Si\n0.433826 0.433824 0.433825 Si\n0.566176 0.566174 0.566175 Si\n0.927805 0.174163 0.621354 P\n0.825836 0.378644 0.072195 P\n0.072196 0.825835 0.378645 P\n0.621355 0.927804 0.174164 P\n0.378646 0.072195 0.825835 P\n0.174165 0.621354 0.927804 P\n0.250972 0.973750 0.897212 O\n0.432255 0.206146 0.590702 O\n0.026250 0.102787 0.749029 O\n0.102788 0.749029 0.026249 O\n0.749029 0.026249 0.102788 O\n0.973751 0.897211 0.250971 O\n0.897213 0.250970 0.973750 O\n0.096452 0.139730 0.428170 O\n0.733092 0.779314 0.076708 O\n0.139731 0.428170 0.096452 O\n0.428171 0.096451 0.139730 O\n0.903549 0.860268 0.571829 O\n0.860271 0.571828 0.903548 O\n0.571831 0.903547 0.860269 O\n0.793854 0.409297 0.567746 O\n0.076709 0.733091 0.779315 O\n0.409298 0.567745 0.793853 O\n0.206147 0.590702 0.432254 O\n0.590703 0.432253 0.206146 O\n0.500001 0.499999 0.500000 O\n0.266909 0.220684 0.923292 O\n0.923292 0.266907 0.220685 O\n0.220685 0.923291 0.266907 O\n0.567747 0.793853 0.409297 O\n0.779316 0.076707 0.733092 O\n",
"nsites": 36,
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"elements": [
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"P",
"O"
],
"chemical_system": "O-P-Si",
"density": 2.7421537181416236,
"density_atomic": 0.08185703721307262,
"volume": 439.79114350660586,
"volume_molar": 7.35690047555039,
"formula_full": "Si5 P6 O25",
"formula_reduced": "Si5P6O25",
"formula_anonymous": "A5B6C25",
"energy_above_hull": 3.3018248194444446,
"spacegroup": 148
},
{
"id": "jvasp-92177",
"created_at": "2022-09-04T14:35:52.959010Z",
"updated_at": "2022-09-04T14:35:52.959031Z",
"structure_string": "Si7 Ge1\n1.0\n5.520391 -0.000000 -0.000000\n0.000000 5.520391 0.000000\n-0.000000 -0.000000 5.520391\nSi Ge\n7 1\ndirect\n0.252642 0.252642 0.252642 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.747358 0.252642 0.747358 Si\n0.747358 0.747358 0.252642 Si\n0.252642 0.747358 0.747358 Si\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Ge"
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"chemical_system": "Ge-Si",
"density": 2.6575212278811686,
"density_atomic": 0.04755327908161445,
"volume": 168.23235231096913,
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"formula_full": "Si7 Ge1",
"formula_reduced": "Si7Ge",
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"spacegroup": 215
},
{
"id": "jvasp-102326",
"created_at": "2022-09-04T14:36:50.118653Z",
"updated_at": "2022-09-04T14:36:50.118680Z",
"structure_string": "Si1 Ag3\n1.0\n2.925298 -0.000000 0.000000\n-1.462649 2.533383 0.000000\n0.000000 -0.000000 9.272577\nSi Ag\n1 3\ndirect\n0.333333 0.666666 0.500000 Si\n0.333333 0.666666 -0.000000 Ag\n0.666667 0.333333 0.742266 Ag\n0.666667 0.333333 0.257735 Ag\n",
"nsites": 4,
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"elements": [
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"density": 8.49841286806329,
"density_atomic": 0.058208790689028414,
"volume": 68.7181429583272,
"volume_molar": 10.34575824152123,
"formula_full": "Si1 Ag3",
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"spacegroup": 187
},
{
"id": "jvasp-34561",
"created_at": "2022-09-04T14:36:35.184359Z",
"updated_at": "2022-09-04T14:36:35.184390Z",
"structure_string": "Si2 Ag8 O8\n1.0\n7.464969 0.000000 -0.000000\n-0.000000 7.464969 0.000000\n-0.000000 0.000000 4.773802\nSi Ag O\n2 8 8\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.888055 0.675496 0.044476 Ag\n0.111945 0.324504 0.044476 Ag\n0.611945 0.824504 0.455524 Ag\n0.675496 0.111945 0.955523 Ag\n0.175496 0.611945 0.544476 Ag\n0.824504 0.388055 0.544476 Ag\n0.324504 0.888055 0.955523 Ag\n0.388055 0.175496 0.455524 Ag\n0.327659 0.437979 0.804549 O\n0.562021 0.327659 0.195451 O\n0.172341 0.062021 0.695450 O\n0.672341 0.562021 0.804549 O\n0.937979 0.172341 0.304549 O\n0.827659 0.937979 0.695450 O\n0.437979 0.672341 0.195451 O\n0.062021 0.827659 0.304549 O\n",
"nsites": 18,
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"elements": [
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"Ag",
"O"
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"density": 6.536145810099425,
"density_atomic": 0.06766313033415332,
"volume": 266.02375490325795,
"volume_molar": 8.900180541839775,
"formula_full": "Si2 Ag8 O8",
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"formula_anonymous": "AB4C4",
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"spacegroup": 86
},
{
"id": "jvasp-99441",
"created_at": "2022-09-04T14:36:31.713909Z",
"updated_at": "2022-09-04T14:36:31.713936Z",
"structure_string": "Si2 Ag4 P4\n1.0\n5.640799 -0.002978 -2.888122\n-2.110181 5.231229 -2.888122\n0.002011 0.002978 6.337180\nSi Ag P\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.375000 0.676419 0.801419 Ag\n0.875000 0.573581 0.198582 Ag\n0.323582 0.125000 0.698582 Ag\n0.426419 0.625000 0.301419 Ag\n0.375000 0.295666 0.420667 P\n0.875000 0.954334 0.579334 P\n0.704334 0.125000 0.079334 P\n0.045667 0.625001 0.920667 P\n",
"nsites": 10,
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"elements": [
"Si",
"Ag",
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],
"chemical_system": "Ag-P-Si",
"density": 5.428749834216454,
"density_atomic": 0.0534597201317553,
"volume": 187.05672187123847,
"volume_molar": 11.264819092127686,
"formula_full": "Si2 Ag4 P4",
"formula_reduced": "Si(AgP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.8060948239999997,
"spacegroup": 122
},
{
"id": "jvasp-35412",
"created_at": "2022-09-04T14:37:33.586711Z",
"updated_at": "2022-09-04T14:37:33.586734Z",
"structure_string": "Si1 Ag1 Pt5\n1.0\n3.958961 -0.000000 -0.000000\n-0.000000 3.958961 -0.000000\n-0.000000 0.000000 7.171523\nSi Ag Pt\n1 1 5\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.294831 Pt\n0.000000 0.500000 0.705169 Pt\n0.500000 0.000000 0.294831 Pt\n0.500000 0.000000 0.705169 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 7,
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"elements": [
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"Ag",
"Pt"
],
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"density": 16.418571557761794,
"density_atomic": 0.062276500085614896,
"volume": 112.40194921642544,
"volume_molar": 9.670005141138367,
"formula_full": "Si1 Ag1 Pt5",
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"formula_anonymous": "ABC5",
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"spacegroup": 123
},
{
"id": "jvasp-4216",
"created_at": "2022-09-04T14:36:12.655570Z",
"updated_at": "2022-09-04T14:36:12.655588Z",
"structure_string": "Si6 As6\n1.0\n3.723505 0.000000 -0.000000\n-1.861753 7.779609 -2.201287\n-0.000000 0.027090 9.645168\nSi As\n6 6\ndirect\n0.130997 0.261993 0.416119 Si\n0.869003 0.738007 0.583881 Si\n0.238245 0.476490 0.292054 Si\n0.761754 0.523510 0.707946 Si\n0.566574 0.133149 0.089259 Si\n0.433426 0.866851 0.910740 Si\n0.152585 0.305170 0.045092 As\n0.847414 0.694830 0.954908 As\n0.163169 0.326339 0.675285 As\n0.836830 0.673661 0.324715 As\n0.536307 0.072614 0.324448 As\n0.463693 0.927386 0.675552 As\n",
"nsites": 12,
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"elements": [
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"volume": 279.6176082728059,
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"formula_full": "Si6 As6",
"formula_reduced": "SiAs",
"formula_anonymous": "AB",
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"spacegroup": 12
},
{
"id": "jvasp-12186",
"created_at": "2022-09-04T14:37:05.175055Z",
"updated_at": "2022-09-04T14:37:05.175079Z",
"structure_string": "Si8 As16\n1.0\n15.011172 0.000000 0.000000\n0.000000 10.242490 0.000000\n0.000000 0.000000 3.711829\nSi As\n8 16\ndirect\n0.264886 0.196155 0.500001 Si\n0.735115 0.803844 0.500001 Si\n0.764885 0.303845 0.500001 Si\n0.235115 0.696155 0.500001 Si\n0.143661 0.413529 0.000000 Si\n0.856340 0.586470 0.000000 Si\n0.643660 0.086470 0.000000 Si\n0.356339 0.913529 0.000000 Si\n0.704909 0.658886 0.000000 As\n0.295090 0.341115 0.000000 As\n0.106712 0.553566 0.500001 As\n0.893288 0.446433 0.500001 As\n0.606711 0.946432 0.500001 As\n0.393288 0.053567 0.500001 As\n0.458439 0.730551 0.000000 As\n0.386575 0.600467 0.500001 As\n0.958439 0.769449 0.000000 As\n0.041561 0.230551 0.000000 As\n0.795090 0.158886 0.000000 As\n0.613424 0.399533 0.500001 As\n0.886576 0.899534 0.500001 As\n0.113424 0.100467 0.500001 As\n0.541560 0.269450 0.000000 As\n0.204910 0.841114 0.000000 As\n",
"nsites": 24,
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"elements": [
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"volume": 570.7003124585896,
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"formula_full": "Si8 As16",
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},
{
"id": "jvasp-59717",
"created_at": "2022-09-04T14:37:29.957137Z",
"updated_at": "2022-09-04T14:37:29.957160Z",
"structure_string": "Si4 As8\n1.0\n6.141131 -0.000000 0.000000\n-0.000000 6.141131 -0.000000\n-0.000000 0.000000 6.141131\nSi As\n4 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.384742 0.384742 0.384742 As\n0.115258 0.615258 0.884742 As\n0.884742 0.115258 0.615258 As\n0.615258 0.884742 0.115258 As\n0.615258 0.615258 0.615258 As\n0.884742 0.384742 0.115258 As\n0.115258 0.884742 0.384742 As\n0.384742 0.115258 0.884742 As\n",
"nsites": 12,
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"density": 5.102817185252602,
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"volume": 231.60348230639232,
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"formula_full": "Si4 As8",
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"spacegroup": 205
},
{
"id": "jvasp-30488",
"created_at": "2022-09-04T14:38:35.679625Z",
"updated_at": "2022-09-04T14:38:35.679651Z",
"structure_string": "Si1 As3\n1.0\n-1.903986 1.903986 5.470056\n1.903986 -1.903986 5.470056\n1.903986 1.903986 -5.470056\nSi As\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750003 0.250000 0.500003 As\n0.250000 0.750003 0.500003 As\n0.499999 0.499999 0.000000 As\n",
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"volume": 79.31937165417062,
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"formula_full": "Si1 As3",
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"spacegroup": 139
},
{
"id": "jvasp-12187",
"created_at": "2022-09-04T14:36:38.387428Z",
"updated_at": "2022-09-04T14:36:38.387458Z",
"structure_string": "Si2 As6\n1.0\n6.055525 -0.000000 -0.000000\n-3.027763 5.244238 -0.000000\n-0.000000 0.000000 5.191670\nSi As\n2 6\ndirect\n0.333335 0.666667 0.750002 Si\n0.666669 0.333335 0.250002 Si\n0.189620 0.379238 0.250002 As\n0.620762 0.810380 0.250002 As\n0.189621 0.810380 0.250002 As\n0.810381 0.620760 0.750002 As\n0.379241 0.189620 0.750002 As\n0.810381 0.189620 0.750002 As\n",
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"volume": 164.8698618404965,
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"formula_full": "Si2 As6",
"formula_reduced": "SiAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6574984625,
"spacegroup": 194
}
]
}