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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=4414",
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"results": [
{
"id": "jvasp-29585",
"created_at": "2022-09-04T14:37:00.243517Z",
"updated_at": "2022-09-04T14:37:00.243545Z",
"structure_string": "Sm2 Al4 Cl16\n1.0\n6.822673 0.000000 0.000000\n0.000000 6.459630 -0.333908\n0.000000 0.282725 13.016358\nSm Al Cl\n2 4 16\ndirect\n0.824220 0.500001 0.750000 Sm\n0.175780 0.500000 0.250000 Sm\n0.257770 0.667590 0.912403 Al\n0.742230 0.332410 0.087597 Al\n0.257770 0.332411 0.587597 Al\n0.742230 0.667590 0.412403 Al\n0.000098 0.156835 0.128974 Cl\n0.660879 0.286727 0.927599 Cl\n0.843938 0.643369 0.127276 Cl\n0.156061 0.643369 0.627276 Cl\n0.492621 0.767229 0.321726 Cl\n0.507378 0.767229 0.821726 Cl\n0.339120 0.286727 0.427599 Cl\n0.507378 0.232772 0.678274 Cl\n0.492621 0.232771 0.178274 Cl\n0.000098 0.843165 0.371026 Cl\n0.843938 0.356632 0.372724 Cl\n-0.000098 0.843166 0.871026 Cl\n0.156061 0.356632 0.872724 Cl\n0.339120 0.713273 0.072401 Cl\n0.660879 0.713274 0.572401 Cl\n-0.000098 0.156836 0.628974 Cl\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.8217126610949164,
"density_atomic": 0.03830748618486878,
"volume": 574.3002789018785,
"volume_molar": 15.720532354792594,
"formula_full": "Sm2 Al4 Cl16",
"formula_reduced": "Sm(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.4735342740909091,
"spacegroup": 13
},
{
"id": "jvasp-85754",
"created_at": "2022-09-04T14:35:59.260376Z",
"updated_at": "2022-09-04T14:35:59.260400Z",
"structure_string": "Al2 Se2 Cl14\n1.0\n6.272476 -0.022876 1.496909\n0.875423 8.128366 0.501073\n0.222430 -0.055909 9.742015\nAl Se Cl\n2 2 14\ndirect\n0.184324 0.974619 0.513887 Al\n0.477045 0.406389 0.943675 Al\n0.867265 0.370227 0.306571 Se\n0.010804 0.003867 0.979345 Se\n0.656414 0.175800 0.870384 Cl\n0.777243 0.010026 0.192949 Cl\n0.289796 0.892143 0.052742 Cl\n0.933643 0.781172 0.894718 Cl\n-0.067915 0.516550 0.724047 Cl\n-0.025140 0.597589 0.341519 Cl\n0.480441 0.588809 0.772898 Cl\n0.553239 0.509994 0.120135 Cl\n0.626870 0.336042 0.499296 Cl\n0.258423 0.171159 0.349676 Cl\n0.396792 0.762875 0.434464 Cl\n0.853673 0.937087 0.551681 Cl\n0.136913 0.356084 0.012860 Cl\n0.266971 0.069766 0.697356 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Se",
"Cl"
],
"chemical_system": "Al-Cl-Se",
"density": 2.379265597957339,
"density_atomic": 0.03641623411057772,
"volume": 494.285047304537,
"volume_molar": 16.536967391284335,
"formula_full": "Al2 Se2 Cl14",
"formula_reduced": "AlSeCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.4086994043518519,
"spacegroup": 1
},
{
"id": "jvasp-26735",
"created_at": "2022-09-04T14:38:29.080775Z",
"updated_at": "2022-09-04T14:38:29.080796Z",
"structure_string": "Al2 S2 Cl14\n1.0\n0.000000 6.577717 -0.111652\n6.256506 0.000000 0.000000\n0.000000 -2.806451 -11.883786\nAl S Cl\n2 2 14\ndirect\n0.540727 0.495698 0.145811 Al\n0.540727 0.504303 0.645811 Al\n0.882893 0.084938 0.305726 S\n0.882893 0.915062 0.805726 S\n0.815606 0.879244 0.421703 Cl\n0.517631 0.623673 0.809006 Cl\n0.852693 0.575638 0.623373 Cl\n0.502462 0.838273 0.136314 Cl\n0.852693 0.424362 0.123373 Cl\n0.502462 0.161728 0.636314 Cl\n0.106791 0.926392 0.245483 Cl\n0.517631 0.376328 0.309006 Cl\n0.057856 0.305321 0.405952 Cl\n0.315045 0.336795 0.018734 Cl\n0.815606 0.120757 0.921703 Cl\n0.057856 0.694679 0.905952 Cl\n0.315045 0.663206 0.518734 Cl\n0.106792 0.073609 0.745484 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Al",
"S",
"Cl"
],
"chemical_system": "Al-Cl-S",
"density": 2.077905479127682,
"density_atomic": 0.03665837376462161,
"volume": 491.02014496266344,
"volume_molar": 16.42773571644869,
"formula_full": "Al2 S2 Cl14",
"formula_reduced": "AlSCl7",
"formula_anonymous": "ABC7",
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"spacegroup": 7
},
{
"id": "jvasp-107866",
"created_at": "2022-09-04T14:36:37.248923Z",
"updated_at": "2022-09-04T14:36:37.248948Z",
"structure_string": "Rb2 Al1 Tl1 Cl6\n1.0\n6.509881 -0.000000 3.758481\n2.169960 6.137575 3.758481\n-0.000000 -0.000000 7.516963\nRb Al Tl Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.780398 0.219602 0.219602 Cl\n0.219602 0.219602 0.780398 Cl\n0.219602 0.780397 0.780398 Cl\n0.219602 0.780397 0.219602 Cl\n0.780398 0.219602 0.780398 Cl\n0.780398 0.780397 0.219602 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Tl",
"Cl"
],
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"density": 3.4003604744279645,
"density_atomic": 0.03329566746882595,
"volume": 300.33937626758177,
"volume_molar": 18.086859996539808,
"formula_full": "Rb2 Al1 Tl1 Cl6",
"formula_reduced": "Rb2AlTlCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110715",
"created_at": "2022-09-04T14:38:37.106504Z",
"updated_at": "2022-09-04T14:38:37.106520Z",
"structure_string": "Rb3 Al1 Cl6\n1.0\n6.539345 -0.000000 3.775493\n2.179782 6.165354 3.775493\n-0.000000 -0.000000 7.550986\nRb Al Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.781723 0.218277 0.218277 Cl\n0.218277 0.218277 0.781723 Cl\n0.218277 0.781722 0.781723 Cl\n0.218277 0.781722 0.218277 Cl\n0.781723 0.218277 0.781723 Cl\n0.781723 0.781722 0.218277 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Cl"
],
"chemical_system": "Al-Cl-Rb",
"density": 2.7059823767185414,
"density_atomic": 0.03284763202229072,
"volume": 304.4359481747087,
"volume_molar": 18.33356132312161,
"formula_full": "Rb3 Al1 Cl6",
"formula_reduced": "Rb3AlCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-32248",
"created_at": "2022-09-04T14:38:04.570215Z",
"updated_at": "2022-09-04T14:38:04.570229Z",
"structure_string": "Al4 Pd2 Cl16\n1.0\n6.502390 0.000000 -0.670967\n0.000000 7.290048 0.000000\n0.067837 0.000000 12.500959\nAl Pd Cl\n4 2 16\ndirect\n0.342730 0.709812 0.101216 Al\n0.657270 0.209812 0.398784 Al\n0.657271 0.290188 0.898784 Al\n0.342730 0.790188 0.601216 Al\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.343693 0.202253 0.428087 Cl\n0.656308 0.702253 0.071913 Cl\n0.250819 0.993188 0.706451 Cl\n0.749182 0.493188 0.793549 Cl\n0.749182 0.006812 0.293549 Cl\n0.250819 0.506813 0.206451 Cl\n0.239413 0.513363 0.652516 Cl\n0.239412 0.986637 0.152516 Cl\n0.760588 0.486637 0.347484 Cl\n0.343693 0.297747 0.928087 Cl\n0.146001 0.772871 0.445225 Cl\n0.853999 0.272871 0.054774 Cl\n0.853999 0.227129 0.554774 Cl\n0.146001 0.727129 0.945225 Cl\n0.760588 0.013363 0.847484 Cl\n0.656308 0.797747 0.571913 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Pd",
"Cl"
],
"chemical_system": "Al-Cl-Pd",
"density": 2.4870191916948574,
"density_atomic": 0.03710503381909159,
"volume": 592.9114660631404,
"volume_molar": 16.229983212955432,
"formula_full": "Al4 Pd2 Cl16",
"formula_reduced": "Al2PdCl8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.5273494400000001,
"spacegroup": 14
},
{
"id": "jvasp-30620",
"created_at": "2022-09-04T14:37:12.836353Z",
"updated_at": "2022-09-04T14:37:12.836371Z",
"structure_string": "Ti6 Al2 Se4 Cl2 O16\n1.0\n7.424875 -1.428940 1.067948\n-1.057401 8.851253 -1.355083\n1.797720 -1.809409 8.012803\nTi Al Se Cl O\n6 2 4 2 16\ndirect\n0.479822 0.795995 0.974381 Ti\n0.529026 0.040913 0.506734 Ti\n0.902140 0.996532 0.103462 Ti\n0.709794 0.167856 0.910200 Ti\n0.108075 0.856492 0.317633 Ti\n0.138366 0.174283 0.611052 Ti\n0.298805 0.170313 0.185268 Al\n0.694980 0.855283 0.580159 Al\n0.252948 0.574050 0.390046 Se\n0.907753 0.459221 0.471613 Se\n0.816701 0.586999 0.330939 Se\n0.107918 0.660133 0.793487 Se\n0.413297 0.311076 0.718749 Cl\n0.635658 0.647241 0.021678 Cl\n0.198144 0.251639 0.426453 O\n0.720248 0.098994 0.322488 O\n0.569068 0.748705 0.740196 O\n0.613063 0.059992 0.715718 O\n0.282265 0.999989 0.485379 O\n0.057215 0.847026 0.849862 O\n0.111909 0.154620 0.098292 O\n0.950982 0.875572 0.209573 O\n0.944249 0.962034 0.548437 O\n0.550835 0.831840 0.445637 O\n0.331769 0.966733 0.148404 O\n0.957779 0.273536 0.813903 O\n0.219384 0.672738 0.946967 O\n0.530240 0.273721 0.087260 O\n0.720507 0.995091 0.976052 O\n0.247075 0.691375 0.269980 O\n",
"nsites": 30,
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"elements": [
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"Cl",
"O"
],
"chemical_system": "Al-Cl-O-Se-Ti",
"density": 3.3699532292431305,
"density_atomic": 0.06187916121201236,
"volume": 484.81588005391734,
"volume_molar": 9.732098241226556,
"formula_full": "Ti6 Al2 Se4 Cl2 O16",
"formula_reduced": "Ti3AlSe2ClO8",
"formula_anonymous": "ABC2D3E8",
"energy_above_hull": 2.771255773388889,
"spacegroup": 1
},
{
"id": "jvasp-25872",
"created_at": "2022-09-04T14:38:15.664449Z",
"updated_at": "2022-09-04T14:38:15.664471Z",
"structure_string": "Al2 S2 Cl6 O4\n1.0\n6.127764 0.082250 0.044033\n-2.417242 6.812268 -0.116792\n-2.086350 -1.370545 7.341605\nAl S Cl O\n2 2 6 4\ndirect\n0.720386 0.199516 0.844922 Al\n0.279614 0.800484 0.155079 Al\n0.376835 0.748238 0.760836 S\n0.623165 0.251761 0.239164 S\n0.900189 0.722811 0.088615 Cl\n0.063433 0.801359 0.618696 Cl\n0.099810 0.277188 0.911385 Cl\n0.444017 0.657290 0.346931 Cl\n0.936567 0.198640 0.381305 Cl\n0.555983 0.342709 0.653069 Cl\n0.581431 0.932478 0.758601 O\n0.633363 0.231057 0.046223 O\n0.366637 0.768943 0.953778 O\n0.418569 0.067522 0.241400 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Al-Cl-O-S",
"density": 2.1303662341497955,
"density_atomic": 0.04549320343957384,
"volume": 307.7382760832713,
"volume_molar": 13.237451541522866,
"formula_full": "Al2 S2 Cl6 O4",
"formula_reduced": "AlSCl3O2",
"formula_anonymous": "ABC2D3",
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"spacegroup": 2
},
{
"id": "jvasp-13787",
"created_at": "2022-09-04T14:38:02.093235Z",
"updated_at": "2022-09-04T14:38:02.093259Z",
"structure_string": "Al2 Cl2 O2\n1.0\n3.172071 0.000000 0.000000\n0.000000 3.640084 0.000000\n0.000000 0.000000 7.808628\nAl Cl O\n2 2 2\ndirect\n0.500000 0.000000 0.107098 Al\n0.000000 0.499999 0.892902 Al\n0.000000 0.000000 0.322123 Cl\n0.500000 0.499999 0.677878 Cl\n0.500000 0.499999 0.049663 O\n0.000000 0.000000 0.950337 O\n",
"nsites": 6,
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],
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"density": 2.8890434804993834,
"density_atomic": 0.06654603919382951,
"volume": 90.16314227994431,
"volume_molar": 9.0495855695622,
"formula_full": "Al2 Cl2 O2",
"formula_reduced": "AlClO",
"formula_anonymous": "ABC",
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"spacegroup": 59
},
{
"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,
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"elements": [
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"N",
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],
"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-32930",
"created_at": "2022-09-04T14:36:45.315944Z",
"updated_at": "2022-09-04T14:36:45.315980Z",
"structure_string": "Al4 Ni2 Cl16\n1.0\n6.804617 0.000270 3.007474\n3.070043 8.357851 2.257211\n-0.087937 -0.080987 9.400015\nAl Ni Cl\n4 2 16\ndirect\n0.340058 0.859688 0.964133 Al\n0.836571 0.359735 0.464086 Al\n0.163370 0.642779 0.534396 Al\n0.659831 0.142835 0.034341 Al\n0.994593 0.751317 0.249259 Ni\n0.005296 0.251239 0.749224 Ni\n0.296785 0.550071 0.305882 Cl\n0.344810 0.273644 0.054739 Cl\n0.841612 0.551498 0.276298 Cl\n0.158301 0.451025 0.722190 Cl\n0.655080 0.728886 0.943734 Cl\n0.165512 0.711396 0.976055 Cl\n0.703148 0.452452 0.692598 Cl\n0.847642 0.050073 0.805849 Cl\n0.834368 0.291129 0.022427 Cl\n0.672736 0.228991 0.443652 Cl\n0.147501 0.211351 0.476004 Cl\n0.152250 0.952455 0.192626 Cl\n0.668813 0.951136 0.222198 Cl\n0.327218 0.773512 0.554833 Cl\n0.852443 0.791181 0.522473 Cl\n0.331078 0.051385 0.776281 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
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],
"chemical_system": "Al-Cl-Ni",
"density": 2.44944712597235,
"density_atomic": 0.04094576405761076,
"volume": 537.2961161268346,
"volume_molar": 14.707603823259564,
"formula_full": "Al4 Ni2 Cl16",
"formula_reduced": "Al2NiCl8",
"formula_anonymous": "AB2C8",
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"spacegroup": 15
},
{
"id": "jvasp-113077",
"created_at": "2022-09-04T14:38:42.151358Z",
"updated_at": "2022-09-04T14:38:42.151375Z",
"structure_string": "Na4 Al3 Si3 Cl1 O12\n1.0\n6.300551 -0.019019 4.411558\n0.002271 6.300580 4.411558\n-0.013340 -0.013295 8.834682\nNa Al Si Cl O\n4 3 3 1 12\ndirect\n0.644945 -0.001002 0.347825 Na\n0.348140 -0.003875 0.003985 Na\n0.003875 0.651860 -0.003984 Na\n0.001002 0.355055 0.652175 Na\n0.748674 0.251326 0.500000 Al\n0.249000 0.252149 0.258594 Al\n0.747851 0.751000 0.741406 Al\n0.491086 0.488272 0.758695 Si\n0.253626 0.746374 0.500000 Si\n0.511728 0.508914 0.241305 Si\n0.999646 0.000353 0.000000 Cl\n0.997689 0.290755 0.435137 O\n0.710271 0.448358 0.280211 O\n0.289403 0.423055 0.997061 O\n0.012004 0.698174 0.698380 O\n0.551642 0.289729 0.719789 O\n0.709245 0.002311 0.564863 O\n0.301826 0.987996 0.301621 O\n0.414976 0.696342 0.588044 O\n0.436058 0.303296 0.284260 O\n0.696704 0.563942 0.715740 O\n0.576945 0.710597 0.002939 O\n0.303658 0.585024 0.411957 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
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"Al",
"Si",
"Cl",
"O"
],
"chemical_system": "Al-Cl-Na-O-Si",
"density": 2.289656876110772,
"density_atomic": 0.06544257246998021,
"volume": 351.4531769140119,
"volume_molar": 9.202176095327662,
"formula_full": "Na4 Al3 Si3 Cl1 O12",
"formula_reduced": "Na4Al3Si3ClO12",
"formula_anonymous": "AB3C3D4E12",
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"spacegroup": 5
}
]
}