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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=103",
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"results": [
{
"id": "jvasp-101951",
"created_at": "2022-09-04T14:36:47.404455Z",
"updated_at": "2022-09-04T14:36:47.404464Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.972259 -0.010912 -0.170243\n-1.005609 4.181129 -0.926771\n0.104663 0.111279 8.317823\nCd H C O\n1 6 5 4\ndirect\n0.226051 0.209788 0.759594 Cd\n0.736554 0.366062 0.452042 H\n0.351526 0.360845 0.342574 H\n0.933305 0.464271 0.206350 H\n0.375050 0.573712 0.098970 H\n0.029797 0.853865 0.331759 H\n0.545858 0.984895 0.186844 H\n0.523396 0.746168 0.546607 C\n0.599166 0.518217 0.399085 C\n0.817446 0.654495 0.270311 C\n0.613520 0.757865 0.138545 C\n0.815900 0.782600 0.988013 C\n0.269183 0.651519 0.629661 O\n0.704616 0.032924 0.588854 O\n0.039104 0.041149 0.988964 O\n0.762239 0.537974 0.868653 O\n",
"nsites": 16,
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"elements": [
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"density_atomic": 0.1154736194556168,
"volume": 138.55978599640005,
"volume_molar": 5.215165843411238,
"formula_full": "Cd1 H6 C5 O4",
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"spacegroup": 1
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{
"id": "jvasp-105080",
"created_at": "2022-09-04T14:36:47.187522Z",
"updated_at": "2022-09-04T14:36:47.187546Z",
"structure_string": "K1 Rb2 Al1 Br6\n1.0\n6.797185 -0.000000 3.924357\n2.265728 6.408448 3.924357\n-0.000000 -0.000000 7.848714\nK Rb Al Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.773763 0.226238 0.226238 Br\n0.226238 0.226238 0.773762 Br\n0.226238 0.773762 0.773762 Br\n0.226238 0.773762 0.226238 Br\n0.773763 0.226238 0.773762 Br\n0.773763 0.773762 0.226238 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Al",
"Br"
],
"chemical_system": "Al-Br-K-Rb",
"density": 3.4797506391210327,
"density_atomic": 0.029249573706715555,
"volume": 341.8853245612961,
"volume_molar": 20.5888154828641,
"formula_full": "K1 Rb2 Al1 Br6",
"formula_reduced": "KRb2AlBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-101863",
"created_at": "2022-09-04T14:36:47.205372Z",
"updated_at": "2022-09-04T14:36:47.205391Z",
"structure_string": "H14 C16 N2 O2\n1.0\n5.731462 0.037925 -1.171356\n-2.298354 7.140469 -1.125092\n-0.341907 -0.128822 7.392738\nH C N O\n14 16 2 2\ndirect\n0.060469 0.252721 0.025075 H\n0.903135 0.418472 0.377185 H\n0.695392 0.485510 0.205333 H\n0.710699 0.737536 0.063328 H\n0.332514 0.558196 0.997489 H\n0.652413 0.685129 0.431936 H\n0.604747 0.759402 0.726171 H\n0.211324 0.560413 0.654050 H\n0.141382 0.985553 0.504443 H\n0.168776 0.228546 0.362223 H\n0.658845 0.046051 0.945871 H\n0.766839 0.022868 0.285898 H\n0.117200 0.190380 0.732548 H\n0.338584 0.908444 0.672447 H\n0.172687 0.601909 0.937457 C\n0.087654 0.623546 0.253129 C\n0.821939 0.699547 0.974730 C\n0.761525 0.712688 0.786258 C\n0.866335 0.540037 0.325522 C\n0.030159 0.644968 0.055788 C\n0.895933 0.657857 0.664830 C\n0.104215 0.602049 0.744561 C\n0.351183 0.150708 0.961744 C\n0.275938 0.187556 0.271292 C\n0.216575 0.204251 0.083656 C\n0.314540 0.033643 0.622280 C\n0.476745 0.123966 0.348286 C\n0.613531 0.074670 0.227772 C\n0.551951 0.085277 0.037608 C\n0.535687 0.103944 0.546370 C\n0.281981 0.163024 0.773939 N\n0.819820 0.661861 0.475151 N\n0.749611 0.123978 0.646190 O\n0.302383 0.650902 0.356975 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
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"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.4780546816196007,
"density_atomic": 0.11364701321350763,
"volume": 299.1719627169128,
"volume_molar": 5.2989872674315315,
"formula_full": "H14 C16 N2 O2",
"formula_reduced": "H7C8NO",
"formula_anonymous": "ABC7D8",
"energy_above_hull": 5.435025691176469,
"spacegroup": 1
},
{
"id": "jvasp-32739",
"created_at": "2022-09-04T14:36:47.077679Z",
"updated_at": "2022-09-04T14:36:47.077710Z",
"structure_string": "Al2 P2 N2 Cl10\n1.0\n6.603655 -0.026753 1.600435\n2.147412 7.207062 3.709463\n-0.095316 0.038686 8.657904\nAl P N Cl\n2 2 2 10\ndirect\n0.906023 0.570499 0.624408 Al\n0.093975 0.429502 0.375592 Al\n0.284371 0.204009 0.741093 P\n0.715627 0.795992 0.258907 P\n0.127755 0.362875 0.609849 N\n0.872243 0.637125 0.390151 N\n0.585714 0.170735 0.645687 Cl\n0.741820 0.756171 0.043400 Cl\n0.987228 0.237576 0.341358 Cl\n0.753810 0.048787 0.177331 Cl\n0.012770 0.762425 0.658642 Cl\n0.246188 0.951214 0.822668 Cl\n0.258179 0.243829 0.956599 Cl\n0.414285 0.829266 0.354313 Cl\n0.355427 0.494633 0.198919 Cl\n0.644571 0.505368 0.801080 Cl\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Al",
"P",
"N",
"Cl"
],
"chemical_system": "Al-Cl-N-P",
"density": 2.004865716559449,
"density_atomic": 0.0387552986638692,
"volume": 412.84677325726517,
"volume_molar": 15.538883630419091,
"formula_full": "Al2 P2 N2 Cl10",
"formula_reduced": "AlPNCl5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.3729939859374998,
"spacegroup": 2
},
{
"id": "jvasp-100436",
"created_at": "2022-09-04T14:36:38.673885Z",
"updated_at": "2022-09-04T14:36:38.673899Z",
"structure_string": "Ag1 Sb1 Te1 Se1\n1.0\n4.136649 0.000000 0.000000\n0.000000 4.136649 0.000000\n0.000000 0.000000 6.149293\nAg Sb Te Se\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Se\n",
"nsites": 4,
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"elements": [
"Ag",
"Sb",
"Te",
"Se"
],
"chemical_system": "Ag-Sb-Se-Te",
"density": 6.883359930441247,
"density_atomic": 0.03801346521266381,
"volume": 105.22587134906709,
"volume_molar": 15.842125221443327,
"formula_full": "Ag1 Sb1 Te1 Se1",
"formula_reduced": "AgSbTeSe",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.8862511233333333,
"spacegroup": 123
},
{
"id": "jvasp-48541",
"created_at": "2022-09-04T14:36:47.113836Z",
"updated_at": "2022-09-04T14:36:47.113846Z",
"structure_string": "Li8 V2 O8 F2\n1.0\n0.000000 5.125517 0.050415\n9.378870 0.000000 0.000000\n0.000000 -2.538889 -4.914911\nLi V O F\n8 2 8 2\ndirect\n0.574671 0.522313 0.848659 Li\n0.424709 0.741961 0.495642 Li\n0.194527 0.502299 0.301509 Li\n0.246363 0.035457 0.598013 Li\n0.753637 0.535457 0.401986 Li\n0.805473 0.002299 0.698489 Li\n0.575291 0.241961 0.504356 Li\n0.425329 0.022313 0.151340 Li\n0.132842 0.719126 0.855768 V\n0.867158 0.219126 0.144231 V\n0.613487 0.143428 0.835988 O\n0.787551 0.688416 0.815684 O\n0.159003 0.627765 0.590883 O\n0.178906 0.902914 0.837783 O\n0.821093 0.402914 0.162215 O\n0.840997 0.127765 0.409116 O\n0.212449 0.188416 0.184315 O\n0.386512 0.643428 0.164011 O\n0.557017 0.428058 0.548339 F\n0.442983 0.928058 0.451660 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.2845547898277343,
"density_atomic": 0.08508214364595514,
"volume": 235.06694992575936,
"volume_molar": 7.078031302383973,
"formula_full": "Li8 V2 O8 F2",
"formula_reduced": "Li4VO4F",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 1.7316318482500002,
"spacegroup": 4
},
{
"id": "jvasp-104536",
"created_at": "2022-09-04T14:36:47.211498Z",
"updated_at": "2022-09-04T14:36:47.211508Z",
"structure_string": "K1 Rb2 Lu1 Cl6\n1.0\n6.688529 -0.000000 3.861624\n2.229510 6.306006 3.861624\n-0.000000 -0.000000 7.723249\nK Rb Lu Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Lu\n0.765707 0.234293 0.234292 Cl\n0.234293 0.234293 0.765707 Cl\n0.234293 0.765708 0.765706 Cl\n0.234293 0.765708 0.234292 Cl\n0.765707 0.234293 0.765707 Cl\n0.765707 0.765708 0.234292 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Lu",
"Cl"
],
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"density": 3.0469200250489052,
"density_atomic": 0.03069834546247115,
"volume": 325.7504549300561,
"volume_molar": 19.61715092222834,
"formula_full": "K1 Rb2 Lu1 Cl6",
"formula_reduced": "KRb2LuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106835",
"created_at": "2022-09-04T14:36:47.619626Z",
"updated_at": "2022-09-04T14:36:47.619656Z",
"structure_string": "Ce2 Si2 Ni1 Pt1\n1.0\n4.007064 -0.002978 -6.669482\n-0.272523 3.854893 -6.753080\n-0.013374 0.002978 7.780641\nCe Si Ni Pt\n2 2 1 1\ndirect\n0.752918 0.252918 0.500000 Ce\n0.998638 0.998637 -0.000001 Ce\n0.174910 0.674909 0.500000 Si\n0.412701 0.412700 -0.000000 Si\n0.334739 0.834737 0.500000 Ni\n0.584094 0.584094 -0.000001 Pt\n",
"nsites": 6,
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"elements": [
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"Ni",
"Pt"
],
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"density": 8.172152897501324,
"density_atomic": 0.05003269008391544,
"volume": 119.92159505988437,
"volume_molar": 12.036412093572405,
"formula_full": "Ce2 Si2 Ni1 Pt1",
"formula_reduced": "Ce2Si2NiPt",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.4836386666666663,
"spacegroup": 44
},
{
"id": "jvasp-101890",
"created_at": "2022-09-04T14:36:38.553579Z",
"updated_at": "2022-09-04T14:36:38.553614Z",
"structure_string": "Ti1 H10 C6 O4\n1.0\n4.665601 -0.087612 0.677548\n0.906799 5.904753 1.642370\n-0.017355 0.221823 6.956707\nTi H C O\n1 10 6 4\ndirect\n0.970675 0.801259 0.710788 Ti\n0.912458 0.773209 0.332306 H\n0.006848 0.502504 0.512411 H\n0.248536 0.941587 0.967600 H\n0.860568 0.991735 -0.003505 H\n0.283269 0.677295 0.379715 H\n0.799190 0.182347 0.239785 H\n0.644015 0.403970 0.344333 H\n0.179952 0.436787 0.182544 H\n0.325849 0.209994 0.083557 H\n0.061426 0.192216 0.808109 H\n0.055087 0.011400 0.886762 C\n0.059014 0.678806 0.447499 C\n0.465539 0.094344 0.475326 C\n0.495807 0.516541 0.937467 C\n0.590633 0.264805 0.292951 C\n0.385928 0.351623 0.127992 C\n0.747747 0.575697 0.922559 O\n0.633550 -0.004178 0.618974 O\n0.214023 0.050484 0.485672 O\n0.332949 0.591917 0.794475 O\n",
"nsites": 21,
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"elements": [
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],
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"density": 1.689230250329089,
"density_atomic": 0.11011309279091987,
"volume": 190.71301575257996,
"volume_molar": 5.4690505982196855,
"formula_full": "Ti1 H10 C6 O4",
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"formula_anonymous": "AB4C6D10",
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"spacegroup": 1
},
{
"id": "jvasp-100323",
"created_at": "2022-09-04T14:36:38.420154Z",
"updated_at": "2022-09-04T14:36:38.420171Z",
"structure_string": "Y3 Mn3 Ga2 Si1\n1.0\n6.938162 -0.000000 -0.000000\n-3.469082 6.008625 0.000000\n-0.000000 0.000000 4.138747\nY Mn Ga Si\n3 3 2 1\ndirect\n0.577420 0.996969 0.500000 Y\n0.419550 0.422581 0.500000 Y\n0.003032 0.580450 0.500000 Y\n0.223473 0.989885 0.000000 Mn\n0.766412 0.776528 0.000000 Mn\n0.010116 0.233589 0.000000 Mn\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666668 0.000000 Si\n",
"nsites": 9,
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"elements": [
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],
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"density": 5.765451368509228,
"density_atomic": 0.052161983094130934,
"volume": 172.539452416115,
"volume_molar": 11.545076323368518,
"formula_full": "Y3 Mn3 Ga2 Si1",
"formula_reduced": "Y3Mn3Ga2Si",
"formula_anonymous": "AB2C3D3",
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"spacegroup": 174
},
{
"id": "jvasp-47778",
"created_at": "2022-09-04T14:36:39.149195Z",
"updated_at": "2022-09-04T14:36:39.149224Z",
"structure_string": "Li2 Ti3 V1 O8\n1.0\n1.646849 -5.674011 -0.009367\n-0.029754 -3.082495 5.039782\n-3.516159 -4.145785 -2.508207\nLi Ti V O\n2 3 1 8\ndirect\n0.000003 0.499992 0.500000 Li\n0.499997 -0.000002 0.499999 Li\n-0.000008 0.499994 0.000006 Ti\n0.499982 0.500018 0.000003 Ti\n0.500017 0.000002 0.999989 Ti\n0.000009 0.999990 0.000000 V\n0.473744 0.261305 0.787487 O\n0.491848 0.759330 0.777912 O\n0.981363 0.269812 0.777930 O\n0.969428 0.758165 0.788707 O\n0.030586 0.241822 0.211290 O\n0.018622 0.730186 0.222086 O\n0.508168 0.240669 0.222073 O\n0.526248 0.738705 0.212512 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.76916170536841,
"density_atomic": 0.09445877064477505,
"volume": 148.21281183775818,
"volume_molar": 6.375417252302673,
"formula_full": "Li2 Ti3 V1 O8",
"formula_reduced": "Li2Ti3VO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.020155514285714,
"spacegroup": 12
},
{
"id": "jvasp-57036",
"created_at": "2022-09-04T14:36:38.449904Z",
"updated_at": "2022-09-04T14:36:38.449934Z",
"structure_string": "Sr2 Co1 Cl2 O2\n1.0\n3.787746 -0.000164 -0.955196\n-0.241328 3.781054 -0.957624\n0.141813 0.154967 8.549948\nSr Co Cl O\n2 1 2 2\ndirect\n0.391307 0.391305 0.782613 Sr\n0.608693 0.608697 0.217388 Sr\n-0.000001 0.000001 0.999999 Co\n0.813639 0.813634 0.627273 Cl\n0.186361 0.186367 0.372727 Cl\n0.499999 0.000001 0.999999 O\n-0.000000 0.499999 0.000000 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 4.530063341975817,
"density_atomic": 0.056652987314005476,
"volume": 123.55923900714578,
"volume_molar": 10.629873278564492,
"formula_full": "Sr2 Co1 Cl2 O2",
"formula_reduced": "Sr2Co(ClO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 0.8441826650000002,
"spacegroup": 139
}
]
}