HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=461",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=459",
"results": [
{
"id": "jvasp-53210",
"created_at": "2022-09-04T14:38:13.522969Z",
"updated_at": "2022-09-04T14:38:13.522985Z",
"structure_string": "Nd2 Ti4 Cd2 O12 F2\n1.0\n6.254675 0.162243 3.692904\n2.184977 6.180049 3.784492\n0.070812 0.162243 7.263158\nNd Ti Cd O F\n2 4 2 12 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 -0.000000 Nd\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.500000 -0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n-0.000000 -0.000000 0.500000 Cd\n0.500000 -0.000000 -0.000000 Cd\n0.824372 0.819970 0.419315 O\n0.832659 0.417340 0.832660 O\n0.419315 0.819970 0.824373 O\n0.824372 0.436341 0.419316 O\n0.409276 0.840724 0.409275 O\n0.419315 0.436341 0.824373 O\n0.175628 0.563659 0.580685 O\n0.590724 0.159275 0.590725 O\n0.580684 0.180029 0.175628 O\n0.175627 0.180029 0.580685 O\n0.167341 0.582660 0.167340 O\n0.580684 0.563659 0.175627 O\n0.122785 0.127215 0.122785 F\n0.877214 0.872785 0.877215 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Nd",
"Ti",
"Cd",
"O",
"F"
],
"chemical_system": "Cd-F-Nd-O-Ti",
"density": 5.663499218583471,
"density_atomic": 0.08027062284711287,
"volume": 274.0728702442264,
"volume_molar": 7.502297286854305,
"formula_full": "Nd2 Ti4 Cd2 O12 F2",
"formula_reduced": "NdTi2CdO6F",
"formula_anonymous": "ABCD2E6",
"energy_above_hull": 2.117915381742424,
"spacegroup": 74
},
{
"id": "jvasp-57534",
"created_at": "2022-09-04T14:38:33.389366Z",
"updated_at": "2022-09-04T14:38:33.389389Z",
"structure_string": "Rb6 Cr2 F14\n1.0\n8.014313 0.000000 -0.000000\n-0.000000 8.014313 -0.000000\n0.000000 0.000000 5.922036\nRb Cr F\n6 2 14\ndirect\n0.188474 0.688474 0.500000 Rb\n0.688474 0.811526 0.500000 Rb\n0.311526 0.188474 0.500000 Rb\n0.811526 0.311526 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.337213 0.162787 0.000000 F\n0.837212 0.337213 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.613354 0.113354 0.223523 F\n0.113354 0.386646 0.223523 F\n0.113354 0.386646 0.776477 F\n0.386646 0.886646 0.223523 F\n0.886646 0.613354 0.776477 F\n0.662787 0.837212 0.000000 F\n0.613354 0.113354 0.776477 F\n0.386646 0.886646 0.776477 F\n0.886646 0.613354 0.223523 F\n0.162787 0.662787 0.000000 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"F"
],
"chemical_system": "Cr-F-Rb",
"density": 3.8538631541866835,
"density_atomic": 0.0578387685762236,
"volume": 380.3677108202434,
"volume_molar": 10.411944977811276,
"formula_full": "Rb6 Cr2 F14",
"formula_reduced": "Rb3CrF7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-44540",
"created_at": "2022-09-04T14:38:31.301465Z",
"updated_at": "2022-09-04T14:38:31.301504Z",
"structure_string": "K2 Hf2 P2 C2 O14\n1.0\n0.000000 5.295937 -0.395681\n6.594829 0.000000 0.000000\n0.000000 0.600395 -9.496324\nK Hf P C O\n2 2 2 2 14\ndirect\n0.918017 0.628084 0.140667 K\n0.081984 0.128084 0.859332 K\n0.266047 0.230466 0.336675 Hf\n0.733955 0.730466 0.663324 Hf\n0.295892 0.733106 0.435285 P\n0.704109 0.233106 0.564714 P\n0.475859 0.244584 0.076359 C\n0.524142 0.744584 0.923640 C\n0.394436 0.753214 0.814069 O\n0.736625 0.420881 0.656051 O\n0.743877 0.044471 0.653377 O\n0.099486 0.737281 0.570502 O\n0.436693 0.230704 0.518054 O\n0.563309 0.730704 0.481945 O\n0.605565 0.253214 0.185930 O\n0.256124 0.544471 0.346622 O\n0.263376 0.920881 0.343948 O\n0.777854 0.742609 0.880341 O\n0.222147 0.242609 0.119659 O\n0.430542 0.736750 0.050008 O\n0.900516 0.237281 0.429497 O\n0.569458 0.236750 -0.050008 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Hf",
"P",
"C",
"O"
],
"chemical_system": "C-Hf-K-O-P",
"density": 3.748346848844665,
"density_atomic": 0.06664647025083764,
"volume": 330.10000255375104,
"volume_molar": 9.035948546613856,
"formula_full": "K2 Hf2 P2 C2 O14",
"formula_reduced": "KHfPCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 3.1214264545454533,
"spacegroup": 4
},
{
"id": "jvasp-57109",
"created_at": "2022-09-04T14:38:31.468371Z",
"updated_at": "2022-09-04T14:38:31.468407Z",
"structure_string": "K4 Ge4 Pb2 S12\n1.0\n8.546502 -0.006100 -0.046185\n-3.515192 7.790132 -0.046185\n-0.000408 -0.000631 8.941315\nK Ge Pb S\n4 4 2 12\ndirect\n0.457949 0.735721 0.517154 K\n0.542051 0.264279 0.482847 K\n0.264278 0.542051 0.982847 K\n0.735721 0.457949 0.017154 K\n0.342605 0.025495 0.061866 Ge\n0.657395 0.974505 0.938134 Ge\n0.974505 0.657395 0.438134 Ge\n0.025494 0.342605 0.561866 Ge\n0.981005 0.018995 0.250000 Pb\n0.018995 0.981005 0.750000 Pb\n0.918156 0.523187 0.667629 S\n0.523187 0.918156 0.167629 S\n0.083821 0.816986 0.039030 S\n0.916178 0.183014 0.960971 S\n0.816985 0.083821 0.539029 S\n0.258536 0.347505 0.668232 S\n0.081844 0.476813 0.332372 S\n0.652495 0.741464 0.831768 S\n0.476813 0.081844 0.832371 S\n0.183014 0.916179 0.460971 S\n0.741464 0.652495 0.331768 S\n0.347505 0.258536 0.168233 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Ge",
"Pb",
"S"
],
"chemical_system": "Ge-K-Pb-S",
"density": 3.4771162595903227,
"density_atomic": 0.036968201982759664,
"volume": 595.1060322127603,
"volume_molar": 16.29005587777426,
"formula_full": "K4 Ge4 Pb2 S12",
"formula_reduced": "K2Ge2PbS6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.176514429090909,
"spacegroup": 15
},
{
"id": "jvasp-119339",
"created_at": "2022-09-04T14:38:44.277762Z",
"updated_at": "2022-09-04T14:38:44.277788Z",
"structure_string": "Li4 V4 Sn2 O12\n1.0\n4.572360 0.000173 -2.564418\n0.001119 10.072924 0.000697\n0.023369 0.000128 5.242347\nLi V Sn O\n4 4 2 12\ndirect\n0.646334 0.750013 0.146143 Li\n0.853839 0.249988 0.353684 Li\n0.146139 0.750018 0.646350 Li\n0.353662 0.249984 0.853850 Li\n0.343126 -0.000001 0.656884 V\n0.156885 0.499998 0.843111 V\n0.843176 0.499997 0.156820 V\n0.656825 -0.000001 0.343183 V\n0.999971 0.000002 0.000025 Sn\n0.500025 0.500001 0.499965 Sn\n0.157998 0.391995 0.510650 O\n0.989352 0.891994 0.342116 O\n0.842051 0.608007 0.489287 O\n0.510708 0.391993 0.157946 O\n0.342065 0.891994 0.989409 O\n0.165706 0.606523 0.165631 O\n0.834361 0.393476 0.834285 O\n0.665744 0.893472 0.665807 O\n0.334206 0.106527 0.334269 O\n0.489345 0.608005 0.842000 O\n0.657889 0.108005 0.010655 O\n0.010598 0.108004 0.657940 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"Sn",
"O"
],
"chemical_system": "Li-O-Sn-V",
"density": 4.534263975968722,
"density_atomic": 0.0908900846103142,
"volume": 242.05060534736748,
"volume_molar": 6.6257400747502535,
"formula_full": "Li4 V4 Sn2 O12",
"formula_reduced": "Li2V2SnO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.5536646454545453,
"spacegroup": 64
},
{
"id": "jvasp-116682",
"created_at": "2022-09-04T14:38:44.229764Z",
"updated_at": "2022-09-04T14:38:44.229811Z",
"structure_string": "Lu3 Bi1 Ru4 O14\n1.0\n6.208672 0.000000 3.589653\n-4.142047 5.854628 0.000000\n0.006040 0.004273 7.153647\nLu Bi Ru O\n3 1 4 14\ndirect\n0.250000 0.375000 0.375000 Lu\n0.249999 0.875000 0.375000 Lu\n0.749999 0.375000 0.375000 Lu\n0.749999 0.375000 0.875000 Bi\n0.749999 0.875000 0.375000 Ru\n0.249999 0.875000 0.875001 Ru\n0.249999 0.375000 0.875000 Ru\n0.749999 0.875000 0.875000 Ru\n0.423564 0.211782 0.781876 O\n-0.000554 0.788201 0.212352 O\n-0.000553 0.211245 0.212352 O\n0.576402 0.788201 0.212352 O\n0.493657 0.538217 0.968125 O\n0.493657 0.955440 0.968125 O\n0.923597 0.961799 0.537648 O\n0.500553 0.961799 0.537648 O\n0.500553 0.538754 0.537648 O\n0.006341 0.794559 0.781876 O\n0.013529 0.506764 0.479707 O\n0.486470 0.243235 0.270294 O\n0.076435 0.538217 0.968125 O\n0.006342 0.211782 0.781876 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Lu",
"Bi",
"Ru",
"O"
],
"chemical_system": "Bi-Lu-O-Ru",
"density": 8.704978310188876,
"density_atomic": 0.08466723662657945,
"volume": 259.8407704863439,
"volume_molar": 7.112716795707349,
"formula_full": "Lu3 Bi1 Ru4 O14",
"formula_reduced": "Lu3Bi(Ru2O7)2",
"formula_anonymous": "AB3C4D14",
"energy_above_hull": 3.174214661363636,
"spacegroup": 166
},
{
"id": "jvasp-57708",
"created_at": "2022-09-04T14:38:31.547415Z",
"updated_at": "2022-09-04T14:38:31.547431Z",
"structure_string": "Na12 Co2 Se8\n1.0\n4.626511 -8.013352 -0.000000\n4.626511 8.013352 0.000000\n-0.000000 -0.000000 7.126032\nNa Co Se\n12 2 8\ndirect\n0.294984 0.147492 0.466727 Na\n0.943536 0.471768 0.141369 Na\n0.471768 0.943536 0.641369 Na\n0.528232 0.056464 0.141369 Na\n0.528232 0.471768 0.141369 Na\n0.056464 0.528232 0.641369 Na\n0.471768 0.528232 0.641369 Na\n0.852508 0.147492 0.466727 Na\n0.852508 0.705016 0.466727 Na\n0.147492 0.294984 0.966727 Na\n0.147492 0.852508 0.966727 Na\n0.705016 0.852508 0.966727 Na\n0.666667 0.333333 0.756405 Co\n0.333333 0.666667 0.256405 Co\n0.811311 0.188689 0.865305 Se\n0.666667 0.333333 0.414690 Se\n0.333333 0.666667 0.914690 Se\n0.377377 0.188689 0.865305 Se\n0.188689 0.811311 0.365306 Se\n0.188689 0.377377 0.365306 Se\n0.811311 0.622623 0.865305 Se\n0.622623 0.811311 0.365306 Se\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Co",
"Se"
],
"chemical_system": "Co-Na-Se",
"density": 3.2226031827847343,
"density_atomic": 0.0416367763353322,
"volume": 528.3790421913909,
"volume_molar": 14.463513485047885,
"formula_full": "Na12 Co2 Se8",
"formula_reduced": "Na6CoSe4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4220053060606061,
"spacegroup": 186
},
{
"id": "jvasp-44547",
"created_at": "2022-09-04T14:38:31.643123Z",
"updated_at": "2022-09-04T14:38:31.643149Z",
"structure_string": "K2 Sn2 P2 C2 O14\n1.0\n0.000000 5.031248 -0.450114\n6.529754 0.000000 0.000000\n0.000000 0.576698 -9.586142\nK Sn P C O\n2 2 2 2 14\ndirect\n0.914792 0.649640 0.147400 K\n0.085209 0.149641 0.852600 K\n0.268707 0.229500 0.342992 Sn\n0.731294 0.729500 0.657007 Sn\n0.306238 0.732123 0.431608 P\n0.693763 0.232123 0.568392 P\n0.464857 0.241024 0.083212 C\n0.535143 0.741023 0.916788 C\n0.389737 0.743136 0.811071 O\n0.744700 0.416320 0.660524 O\n0.746832 0.045446 0.657721 O\n0.127363 0.734646 0.576174 O\n0.398664 0.230228 0.538270 O\n0.601336 0.730228 0.461729 O\n0.610263 0.243137 0.188928 O\n0.253169 0.545445 0.342278 O\n0.255301 0.916319 0.339476 O\n0.798976 0.739424 0.870105 O\n0.201025 0.239424 0.129894 O\n0.438114 0.740660 0.043087 O\n0.872638 0.234647 0.423825 O\n0.561886 0.240660 -0.043088 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Sn",
"P",
"C",
"O"
],
"chemical_system": "C-K-O-P-Sn",
"density": 3.3163264943441657,
"density_atomic": 0.07023442071438518,
"volume": 313.23672604156656,
"volume_molar": 8.574343888290326,
"formula_full": "K2 Sn2 P2 C2 O14",
"formula_reduced": "KSnPCO7",
"formula_anonymous": "ABCDE7",
"energy_above_hull": 2.61550179090909,
"spacegroup": 4
},
{
"id": "jvasp-27278",
"created_at": "2022-09-04T14:38:31.646082Z",
"updated_at": "2022-09-04T14:38:31.646108Z",
"structure_string": "Mg4 B8 Ru10\n1.0\n2.963895 0.000000 0.000000\n0.000000 8.417643 -0.000000\n0.000000 -0.000000 10.061681\nMg B Ru\n4 8 10\ndirect\n0.499999 0.648128 0.815524 Mg\n0.499999 0.351871 0.184476 Mg\n0.499999 0.148129 0.684476 Mg\n0.499999 0.851871 0.315524 Mg\n0.499999 0.539504 0.411225 B\n0.499999 0.039504 0.088775 B\n0.499999 0.960495 0.911225 B\n0.499999 0.460495 0.588775 B\n0.499999 0.352070 0.897259 B\n0.499999 0.147930 0.397259 B\n0.499999 0.852070 0.602741 B\n0.499999 0.647930 0.102741 B\n0.000000 0.156223 0.952077 Ru\n0.000000 0.395164 0.737704 Ru\n0.000000 0.604836 0.262296 Ru\n0.000000 0.895164 0.762296 Ru\n0.000000 0.104836 0.237704 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.656222 0.547923 Ru\n0.000000 0.343777 0.452077 Ru\n0.000000 0.843777 0.047923 Ru\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"B",
"Ru"
],
"chemical_system": "B-Mg-Ru",
"density": 7.90092501034231,
"density_atomic": 0.08763928376102893,
"volume": 251.02897988062824,
"volume_molar": 6.87150841672887,
"formula_full": "Mg4 B8 Ru10",
"formula_reduced": "Mg2B4Ru5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 4.228709175757577,
"spacegroup": 55
},
{
"id": "jvasp-59101",
"created_at": "2022-09-04T14:38:27.644121Z",
"updated_at": "2022-09-04T14:38:27.644156Z",
"structure_string": "Bi8 O14\n1.0\n-6.782835 0.060272 -0.011738\n1.384500 6.798298 0.013542\n-0.104748 -2.330998 -7.567048\nBi O\n8 14\ndirect\n0.000000 -0.000000 0.500000 Bi\n0.471350 0.998462 0.255190 Bi\n0.528651 0.001538 0.744811 Bi\n0.000000 0.000000 0.000000 Bi\n0.262916 0.521605 0.882565 Bi\n0.737085 0.478395 0.117436 Bi\n0.729901 0.493685 0.616902 Bi\n0.270100 0.506314 0.383098 Bi\n0.896708 0.675636 0.372687 O\n0.103293 0.324364 0.627313 O\n0.086183 0.324754 0.035920 O\n0.913818 0.675246 0.964080 O\n0.468598 0.650502 0.640135 O\n0.531402 0.349497 0.359866 O\n0.295011 0.944548 0.945070 O\n0.287001 0.913669 0.516287 O\n0.704990 0.055452 0.054931 O\n0.885178 0.909874 0.726865 O\n0.535428 0.368276 0.817306 O\n0.464573 0.631724 0.182695 O\n0.713000 0.086331 0.483714 O\n0.114823 0.090126 0.273135 O\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 9.010646064597285,
"density_atomic": 0.06296932291160272,
"volume": 349.3764738567053,
"volume_molar": 9.563610471806996,
"formula_full": "Bi8 O14",
"formula_reduced": "Bi4O7",
"formula_anonymous": "A4B7",
"energy_above_hull": 2.1373537909090907,
"spacegroup": 2
},
{
"id": "jvasp-54749",
"created_at": "2022-09-04T14:38:31.694455Z",
"updated_at": "2022-09-04T14:38:31.694482Z",
"structure_string": "Ba2 H8 O12\n1.0\n6.029566 -0.278567 0.124553\n-0.722046 5.989117 -0.026641\n-0.195366 -0.619690 6.553959\nBa H O\n2 8 12\ndirect\n0.145465 0.809812 0.259600 Ba\n0.876915 0.206802 0.816626 Ba\n0.905733 0.660367 0.709077 H\n0.638567 0.056873 0.227247 H\n0.637712 0.728185 0.991160 H\n0.540666 0.126272 0.519181 H\n0.374660 0.304991 0.089816 H\n0.669474 0.657596 0.434910 H\n0.074648 0.356381 0.387695 H\n0.345271 0.964552 0.786505 H\n0.545783 0.109079 0.105893 O\n0.871367 0.541731 0.545586 O\n0.568135 0.770055 0.418484 O\n0.243972 0.387879 0.084215 O\n0.440454 0.210169 0.611215 O\n0.939162 0.759982 0.875939 O\n0.731535 0.983323 0.407786 O\n0.068822 0.236199 0.188972 O\n0.264373 0.026287 0.667795 O\n0.094516 0.465928 0.526853 O\n0.764248 0.631453 -0.002053 O\n0.478718 0.900499 0.962709 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.3478467455313967,
"density_atomic": 0.09343519132515081,
"volume": 235.4573227494217,
"volume_molar": 6.445259729862581,
"formula_full": "Ba2 H8 O12",
"formula_reduced": "Ba(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.6071215427272723,
"spacegroup": 1
},
{
"id": "jvasp-59039",
"created_at": "2022-09-04T14:38:31.785185Z",
"updated_at": "2022-09-04T14:38:31.785201Z",
"structure_string": "Ta2 Te2 Br18\n1.0\n0.000000 6.599807 0.018754\n11.386083 0.000000 0.000000\n0.000000 -2.261818 -9.668311\nTa Te Br\n2 2 18\ndirect\n0.636830 0.250000 0.136263 Ta\n0.363170 0.750000 0.863737 Ta\n0.758791 0.250000 0.540005 Te\n0.241209 0.750000 0.459996 Te\n0.965504 0.418761 0.676599 Br\n0.034496 0.918760 0.323401 Br\n0.243143 0.590105 0.990634 Br\n0.756857 0.090105 0.009367 Br\n0.756857 0.409895 0.009367 Br\n0.243143 0.909895 0.990634 Br\n0.001922 0.250000 0.314399 Br\n-0.001922 0.750000 0.685601 Br\n0.543507 0.750000 0.339272 Br\n0.965504 0.081239 0.676599 Br\n0.277071 0.250000 -0.000115 Br\n0.722929 0.750000 0.000115 Br\n0.466454 0.905666 0.693591 Br\n0.533546 0.405666 0.306410 Br\n0.533546 0.094334 0.306410 Br\n0.466454 0.594334 0.693591 Br\n0.456494 0.250000 0.660728 Br\n0.034496 0.581239 0.323401 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ta",
"Te",
"Br"
],
"chemical_system": "Br-Ta-Te",
"density": 4.700794278920228,
"density_atomic": 0.030300883307975573,
"volume": 726.051441352184,
"volume_molar": 19.87447263101699,
"formula_full": "Ta2 Te2 Br18",
"formula_reduced": "TaTeBr9",
"formula_anonymous": "ABC9",
"energy_above_hull": 0.6941894465151507,
"spacegroup": 11
}
]
}