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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4464",
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"results": [
{
"id": "jvasp-48150",
"created_at": "2022-09-04T14:36:46.395633Z",
"updated_at": "2022-09-04T14:36:46.395648Z",
"structure_string": "Li4 Co2 Si4 O12\n1.0\n2.872880 4.798655 0.114742\n-2.872880 4.798655 -0.114742\n-0.220061 0.000000 9.210230\nLi Co Si O\n4 2 4 12\ndirect\n0.609972 0.725368 0.881381 Li\n0.274633 0.390029 0.381381 Li\n0.725368 0.609972 0.618619 Li\n0.390029 0.274633 0.118619 Li\n0.248874 0.248874 0.750000 Co\n0.751128 0.751128 0.250000 Co\n0.139110 0.794783 0.634252 Si\n0.205218 0.860891 0.134252 Si\n0.794783 0.139110 0.865748 Si\n0.860891 0.205218 0.365748 Si\n0.757644 0.520249 0.412959 O\n0.479752 0.242357 0.912959 O\n0.000000 0.000000 0.000000 O\n0.121942 0.121942 0.250000 O\n0.000000 -0.000000 0.500000 O\n0.371104 0.855303 0.706773 O\n0.520250 0.757644 0.087041 O\n0.242357 0.479751 0.587041 O\n0.144698 0.628897 0.206773 O\n0.855303 0.371104 0.793227 O\n0.878059 0.878059 0.750000 O\n0.628897 0.144698 0.293227 O\n",
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"formula_full": "Li4 Co2 Si4 O12",
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{
"id": "jvasp-56177",
"created_at": "2022-09-04T14:37:04.847685Z",
"updated_at": "2022-09-04T14:37:04.847727Z",
"structure_string": "Mn2 Ru1 C6 N6\n1.0\n2.999684 -5.195604 0.000000\n2.999683 5.195604 -0.000000\n0.000000 -0.000000 6.795122\nMn Ru C N\n2 1 6 6\ndirect\n0.333333 0.666666 0.500001 Mn\n0.666666 0.333333 0.499998 Mn\n0.000000 0.000000 0.000000 Ru\n0.259548 0.000001 0.813862 C\n0.740451 -0.000001 0.186138 C\n-0.000001 0.259547 0.813862 C\n0.740452 0.740451 0.813862 C\n0.259547 0.259548 0.186138 C\n0.000001 0.740452 0.186138 C\n0.390217 0.390227 0.316593 N\n0.000010 0.609782 0.316593 N\n-0.000010 0.390217 0.683407 N\n0.609772 -0.000010 0.316593 N\n0.390227 0.000010 0.683407 N\n0.609782 0.609772 0.683407 N\n",
"nsites": 15,
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],
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"density_atomic": 0.07081944650739054,
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"volume_molar": 8.503512886635656,
"formula_full": "Mn2 Ru1 C6 N6",
"formula_reduced": "Mn2Ru(CN)6",
"formula_anonymous": "AB2C6D6",
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},
{
"id": "jvasp-32680",
"created_at": "2022-09-04T14:37:05.145751Z",
"updated_at": "2022-09-04T14:37:05.145771Z",
"structure_string": "Al4 Bi4 S4 Cl16\n1.0\n9.560944 -0.033282 -3.033233\n-5.129625 8.068440 -3.033231\n0.018356 0.033281 10.030544\nAl Bi S Cl\n4 4 4 16\ndirect\n0.976332 0.709229 0.124804 Al\n0.290771 0.415576 0.267104 Al\n0.584424 0.851528 0.875196 Al\n0.148472 0.023668 0.732896 Al\n0.932576 0.213301 0.406662 Bi\n0.474086 0.067424 0.280723 Bi\n0.806636 0.525914 0.593338 Bi\n0.786699 0.193363 0.719277 Bi\n0.566484 0.263615 0.585759 S\n0.677855 0.980726 0.414241 S\n0.019274 0.433515 0.697129 S\n0.736384 0.322145 0.302871 S\n0.589622 0.634055 0.777425 Cl\n0.085625 0.775398 0.582447 Cl\n0.187803 0.410378 0.044432 Cl\n0.365945 0.143371 0.955567 Cl\n0.192952 0.503179 0.417553 Cl\n0.496821 0.914375 0.689773 Cl\n0.920841 0.969098 0.744378 Cl\n0.224601 0.807048 0.310227 Cl\n0.224721 0.176464 0.255622 Cl\n0.196188 0.179780 0.621757 Cl\n0.558022 0.574432 0.378242 Cl\n0.030902 0.775279 0.951743 Cl\n0.820219 0.441977 0.016408 Cl\n0.425568 0.803812 0.983592 Cl\n0.823536 0.079159 0.048257 Cl\n0.856629 0.812197 0.222574 Cl\n",
"nsites": 28,
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"elements": [
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"S",
"Cl"
],
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"density_atomic": 0.03617585633240647,
"volume": 773.9968818628212,
"volume_molar": 16.64685060849643,
"formula_full": "Al4 Bi4 S4 Cl16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 82
},
{
"id": "jvasp-56825",
"created_at": "2022-09-04T14:36:50.376393Z",
"updated_at": "2022-09-04T14:36:50.376415Z",
"structure_string": "Rb2 Hg2 Pd1 Br8\n1.0\n6.684631 0.022477 1.935016\n2.861186 6.041390 1.935016\n-0.066775 -0.042418 10.236648\nRb Hg Pd Br\n2 2 1 8\ndirect\n0.399050 0.399050 0.828077 Rb\n0.600950 0.600950 0.171924 Rb\n0.133010 0.133010 0.602040 Hg\n0.866990 0.866990 0.397961 Hg\n0.000000 0.000000 0.000000 Pd\n0.353263 0.353263 0.497171 Br\n0.894303 0.379084 0.866517 Br\n0.088242 0.088242 0.303692 Br\n0.911759 0.911759 0.696309 Br\n0.646737 0.646737 0.502830 Br\n0.105696 0.620916 0.133484 Br\n0.620916 0.105696 0.133484 Br\n0.379084 0.894304 0.866517 Br\n",
"nsites": 13,
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"Br"
],
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"density_atomic": 0.03141350595941488,
"volume": 413.83473773336635,
"volume_molar": 19.170546476984736,
"formula_full": "Rb2 Hg2 Pd1 Br8",
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"formula_anonymous": "AB2C2D8",
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"spacegroup": 12
},
{
"id": "jvasp-103956",
"created_at": "2022-09-04T14:36:57.677084Z",
"updated_at": "2022-09-04T14:36:57.677100Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.729897 0.079818 0.210827\n0.672816 4.112974 0.463634\n0.135189 0.032914 6.479795\nCd H C O\n1 2 3 4\ndirect\n0.500886 0.545945 0.507875 Cd\n0.881882 0.760228 0.958541 H\n0.319199 0.741664 0.032359 H\n0.128709 0.136642 0.804276 C\n0.899896 0.047679 0.199164 C\n0.067894 0.915981 -0.000367 C\n0.679383 0.316313 0.199526 O\n0.973514 0.854930 0.367392 O\n0.931376 0.415091 0.762818 O\n0.397043 0.032081 0.678749 O\n",
"nsites": 10,
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],
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"density": 3.6009662741369404,
"density_atomic": 0.10111849112934403,
"volume": 98.89388071671944,
"volume_molar": 5.955528699787342,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.623754375,
"spacegroup": 1
},
{
"id": "jvasp-42690",
"created_at": "2022-09-04T14:37:04.858359Z",
"updated_at": "2022-09-04T14:37:04.858384Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n5.452978 -0.015795 -0.009259\n-0.637188 7.473283 0.009925\n-2.329105 -3.678548 7.518906\nLi V O F\n3 6 3 15\ndirect\n0.414170 0.277415 0.993061 Li\n0.901207 0.533430 0.649835 Li\n0.439865 0.790520 0.017446 Li\n0.646844 0.670781 0.325148 V\n0.667280 0.173670 0.344688 V\n0.019186 0.506315 0.014099 V\n0.357673 0.332889 0.656800 V\n0.006585 0.998493 0.989409 V\n0.326776 0.851634 0.672568 V\n0.228377 0.984855 0.863955 O\n0.571981 0.320538 0.531067 O\n0.365770 0.616834 0.133146 O\n0.304234 0.010164 0.190222 F\n0.718476 0.961427 0.422640 F\n0.747502 0.990611 0.120515 F\n0.621248 0.366089 0.233268 F\n0.947638 0.696233 0.538895 F\n0.424867 0.668704 0.472428 F\n0.626695 0.370574 0.885714 F\n0.037043 0.320922 0.473366 F\n0.374765 0.633986 0.766912 F\n0.945488 0.692262 0.896311 F\n0.278164 0.042008 0.572171 F\n0.061105 0.291285 0.093026 F\n0.103174 0.335663 0.796634 F\n0.699035 0.976366 0.794871 F\n0.906695 0.677518 0.208504 F\n",
"nsites": 27,
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"elements": [
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],
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"density": 3.5744763368082655,
"density_atomic": 0.08813485440843113,
"volume": 306.34872186748777,
"volume_molar": 6.832870832341117,
"formula_full": "Li3 V6 O3 F15",
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},
{
"id": "jvasp-45398",
"created_at": "2022-09-04T14:36:51.300532Z",
"updated_at": "2022-09-04T14:36:51.300562Z",
"structure_string": "Ba3 B3 As3 O15\n1.0\n3.686674 -6.385508 0.000000\n3.686674 6.385508 -0.000000\n0.000000 -0.000000 7.179174\nBa B As O\n3 3 3 15\ndirect\n0.333337 0.058058 0.836240 Ba\n0.724721 0.666662 0.502907 Ba\n0.941941 0.275278 0.169574 Ba\n0.333270 0.569865 0.836271 B\n0.236594 0.666729 0.502939 B\n0.430134 0.763405 0.169605 B\n0.936519 0.269974 0.669559 As\n0.333456 0.063480 0.336226 As\n0.730024 0.666543 0.002893 As\n0.511513 0.521521 0.857445 O\n0.897597 0.080202 0.517885 O\n0.182606 0.102403 0.184552 O\n0.919796 0.817393 0.851219 O\n0.155104 0.343260 0.814861 O\n0.188155 0.844895 0.481528 O\n0.306490 0.666460 0.003041 O\n0.768549 0.515528 0.154694 O\n0.484471 0.253021 0.488028 O\n0.746978 0.231450 0.821361 O\n0.478478 0.989993 0.190778 O\n0.359969 0.693509 0.669708 O\n0.333539 0.640029 0.336374 O\n0.656739 0.811843 0.148194 O\n0.010006 0.488486 0.524112 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.07100298012446758,
"volume": 338.0139813558278,
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"formula_full": "Ba3 B3 As3 O15",
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"spacegroup": 152
},
{
"id": "jvasp-101939",
"created_at": "2022-09-04T14:37:01.633934Z",
"updated_at": "2022-09-04T14:37:01.633948Z",
"structure_string": "Hf1 H6 C5 O4\n1.0\n3.472598 -0.009752 0.388245\n1.503321 3.747431 0.588439\n0.056568 -0.003153 8.995795\nHf H C O\n1 6 5 4\ndirect\n0.073784 0.964840 0.328720 Hf\n0.559114 0.097983 0.909124 H\n0.904478 0.301623 0.913911 H\n0.883854 0.576826 0.602915 H\n0.824755 0.170005 0.659687 H\n0.067422 0.655324 0.771702 H\n0.401218 0.877368 0.776606 H\n0.455938 0.490780 0.483289 C\n0.652566 0.455537 0.630849 C\n0.398380 0.458459 0.068679 C\n0.393791 0.612770 0.773072 C\n0.571122 0.360901 0.912994 C\n0.743125 0.566211 0.345389 O\n0.478827 0.143392 0.461104 O\n0.199520 0.774386 0.096129 O\n0.479177 0.197734 0.175621 O\n",
"nsites": 16,
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],
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"density": 4.375238259699777,
"density_atomic": 0.13661315402528246,
"volume": 117.11902938013526,
"volume_molar": 4.408170503760938,
"formula_full": "Hf1 H6 C5 O4",
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{
"id": "jvasp-102795",
"created_at": "2022-09-04T14:36:57.440818Z",
"updated_at": "2022-09-04T14:36:57.440848Z",
"structure_string": "Ca1 Yb3 In2 Ge4\n1.0\n7.327123 -0.001048 0.000000\n-0.026732 7.327075 0.000000\n0.000000 0.000000 4.379875\nYb Ca In Ge\n3 1 2 4\ndirect\n0.174070 0.825929 -0.000000 Yb\n0.672721 0.673570 -0.000000 Yb\n0.326429 0.327279 -0.000000 Yb\n0.825294 0.174706 -0.000000 Ca\n0.500082 0.999717 0.500001 In\n0.000282 0.499918 0.500001 In\n0.376676 0.623324 0.500001 Ge\n0.620505 0.379494 0.500001 Ge\n0.124892 0.120952 0.500001 Ge\n0.879048 0.875107 0.500001 Ge\n",
"nsites": 10,
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],
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"density": 7.622606284106008,
"density_atomic": 0.042527944399181866,
"volume": 235.1395098276223,
"volume_molar": 14.16043226419345,
"formula_full": "Ca1 Yb3 In2 Ge4",
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{
"id": "jvasp-101820",
"created_at": "2022-09-04T14:36:45.835402Z",
"updated_at": "2022-09-04T14:36:45.835424Z",
"structure_string": "H4 C6 S2 O4\n1.0\n4.695187 -0.018421 1.222502\n0.708646 5.986678 1.607195\n-0.076656 -0.049045 6.382055\nH C S O\n4 6 2 4\ndirect\n0.609174 0.417149 0.654112 H\n0.533826 0.325544 0.944046 H\n0.609708 0.916157 0.153087 H\n0.533926 0.826190 0.443205 H\n0.079994 0.264833 0.783174 C\n0.597357 0.267716 0.788002 C\n0.376072 0.131241 0.773298 C\n0.080055 0.764325 0.283329 C\n0.597515 0.767352 0.287717 C\n0.376039 0.630644 0.273780 C\n0.026132 0.525718 0.804509 S\n0.026346 0.025400 0.303992 S\n0.421868 0.935571 0.761450 O\n0.421665 0.434778 0.262619 O\n0.879394 0.642070 0.276908 O\n0.879416 0.142659 0.776472 O\n",
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"elements": [
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],
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"density_atomic": 0.08870916866454491,
"volume": 180.36467076480275,
"volume_molar": 6.788633971729369,
"formula_full": "H4 C6 S2 O4",
"formula_reduced": "H2C3SO2",
"formula_anonymous": "AB2C2D3",
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"spacegroup": 1
},
{
"id": "jvasp-104768",
"created_at": "2022-09-04T14:37:00.616361Z",
"updated_at": "2022-09-04T14:37:00.616403Z",
"structure_string": "Al1 In1 Cu1 O4\n1.0\n3.290679 0.034401 8.024322\n1.609339 2.870502 8.024322\n0.058027 0.034401 8.672655\nAl In Cu O\n1 1 1 4\ndirect\n0.584790 0.584788 0.584787 Al\n0.799717 0.799714 0.799714 In\n0.012489 0.012489 0.012489 Cu\n0.511727 0.511726 0.511725 O\n0.091557 0.091556 0.091556 O\n0.659486 0.659484 0.659483 O\n0.919904 0.919901 0.919901 O\n",
"nsites": 7,
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],
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"density_atomic": 0.08787765059160405,
"volume": 79.65620328803817,
"volume_molar": 6.852869551539153,
"formula_full": "Al1 In1 Cu1 O4",
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"spacegroup": 160
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{
"id": "jvasp-29340",
"created_at": "2022-09-04T14:37:05.490295Z",
"updated_at": "2022-09-04T14:37:05.490312Z",
"structure_string": "Zn3 As2 H16 O16\n1.0\n4.589908 -0.980596 -1.472747\n-2.960169 9.073259 -0.933250\n-1.292261 1.353176 9.405137\nZn As H O\n3 2 16 16\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.622666 0.377334 Zn\n0.000000 0.377334 0.622666 Zn\n0.749517 0.688696 0.688696 As\n0.250484 0.311304 0.311304 As\n0.399614 0.794960 -0.006640 H\n0.600386 0.006639 0.205039 H\n0.988339 0.490455 0.183208 H\n0.011662 0.816792 0.509545 H\n0.011662 0.509545 0.816792 H\n0.988339 0.183208 0.490455 H\n0.466074 0.891048 0.505277 H\n0.399614 -0.006639 0.794961 H\n0.466074 0.505277 0.891048 H\n0.533926 0.108953 0.494723 H\n0.678037 0.720769 0.079524 H\n0.321963 0.920475 0.279230 H\n0.533926 0.494723 0.108952 H\n0.600386 0.205039 0.006639 H\n0.678037 0.079525 0.720770 H\n0.321964 0.279231 0.920476 H\n0.228445 0.855787 0.424288 O\n0.020824 0.839477 0.839477 O\n0.979177 0.160523 0.160523 O\n0.309811 0.610450 0.610450 O\n0.690189 0.389550 0.389550 O\n0.784953 0.516692 0.743074 O\n0.215047 0.256926 0.483308 O\n0.215047 0.483308 0.256926 O\n0.784953 0.743074 0.516692 O\n0.360245 0.958994 0.185051 O\n0.639756 0.814949 0.041005 O\n0.639756 0.041006 0.814950 O\n0.360246 0.185051 0.958995 O\n0.228445 0.424289 0.855787 O\n0.771555 0.575712 0.144213 O\n0.771556 0.144213 0.575712 O\n",
"nsites": 37,
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"elements": [
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],
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"formula_full": "Zn3 As2 H16 O16",
"formula_reduced": "Zn3As2(HO)16",
"formula_anonymous": "A2B3C16D16",
"energy_above_hull": 2.7580462351351347,
"spacegroup": 12
}
]
}