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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=328",
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"results": [
{
"id": "jvasp-22454",
"created_at": "2022-09-04T14:38:32.833433Z",
"updated_at": "2022-09-04T14:38:32.833446Z",
"structure_string": "Tc8 P12\n1.0\n6.418202 -0.001074 0.003797\n-1.605027 6.166440 0.008280\n-1.586482 -1.190190 7.470326\nTc P\n8 12\ndirect\n0.907570 0.415762 0.147017 Tc\n0.092430 0.584239 0.852984 Tc\n0.373891 0.417754 0.138622 Tc\n0.626109 0.582247 0.861379 Tc\n0.532441 0.860067 0.361829 Tc\n0.467559 0.139934 0.638172 Tc\n0.083237 0.868951 0.370519 Tc\n0.916763 0.131050 0.629482 Tc\n0.459865 0.809827 0.034468 P\n0.540135 0.190174 0.965533 P\n0.629728 0.850684 0.678259 P\n0.370272 0.149317 0.321742 P\n0.140284 0.872557 0.683047 P\n0.264050 0.418982 0.641653 P\n0.764659 0.439530 0.616083 P\n0.235341 0.560470 0.383918 P\n0.033493 0.180973 0.957172 P\n0.735950 0.581019 0.358348 P\n0.859716 0.127444 0.316954 P\n0.966507 0.819028 0.042829 P\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tc",
"P"
],
"chemical_system": "P-Tc",
"density": 6.488763891765317,
"density_atomic": 0.06762438667831497,
"volume": 295.7512959805279,
"volume_molar": 8.905279671735807,
"formula_full": "Tc8 P12",
"formula_reduced": "Tc2P3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.122815900000001,
"spacegroup": 2
},
{
"id": "jvasp-103965",
"created_at": "2022-09-04T14:37:02.859090Z",
"updated_at": "2022-09-04T14:37:02.859105Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.787436 0.011864 0.565973\n1.679253 4.749259 0.982085\n-0.001351 -0.186876 7.829217\nCd H C O\n1 6 5 4\ndirect\n0.843454 0.324149 0.222967 Cd\n0.728624 0.528040 0.628666 H\n0.095856 0.557992 0.724015 H\n0.424842 0.052380 0.587966 H\n0.125534 0.085738 0.861514 H\n0.785075 0.092036 0.683164 H\n0.363664 0.716068 0.891490 H\n0.105206 0.691361 0.452141 C\n0.886184 0.669959 0.630016 C\n0.625470 0.951084 0.685524 C\n0.401644 0.921392 0.865100 C\n0.578143 0.959494 0.015202 C\n0.260936 0.459317 0.384491 O\n0.143463 0.921634 0.384292 O\n0.486320 0.215988 0.049565 O\n0.811869 0.757074 0.097927 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.852096703794176,
"density_atomic": 0.11331983823703654,
"volume": 141.19328309075092,
"volume_molar": 5.314286407118936,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122698359375,
"spacegroup": 1
},
{
"id": "jvasp-103964",
"created_at": "2022-09-04T14:36:59.664637Z",
"updated_at": "2022-09-04T14:36:59.664672Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.066197 -0.096767 0.805809\n1.868403 4.145200 0.179873\n0.151667 -0.041712 8.550413\nCd H C O\n1 6 5 4\ndirect\n0.908491 0.082441 0.768088 Cd\n0.468148 0.709535 0.424053 H\n0.586876 0.340182 0.321686 H\n0.859469 0.890725 0.352138 H\n0.027550 0.105226 0.114645 H\n0.021910 0.544661 0.225417 H\n0.422505 0.992724 0.184300 H\n0.191301 0.427034 0.536183 C\n0.361639 0.546124 0.386625 C\n0.101757 0.715194 0.277464 C\n0.246821 0.895561 0.144172 C\n0.456279 0.709704 0.987279 C\n0.181555 0.527113 0.675264 O\n0.067255 0.215305 0.518795 O\n0.614996 0.408947 0.988214 O\n0.460444 0.872352 0.859340 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.7748604766200855,
"density_atomic": 0.11025107946817589,
"volume": 145.12329563737669,
"volume_molar": 5.4622057117711025,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122690859375,
"spacegroup": 1
},
{
"id": "jvasp-40012",
"created_at": "2022-09-04T14:37:51.564596Z",
"updated_at": "2022-09-04T14:37:51.564613Z",
"structure_string": "Lu1 Ta1 Ru2\n1.0\n-0.000000 3.230521 3.230521\n3.230521 0.000000 3.230521\n3.230521 3.230521 0.000000\nLu Ta Ru\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Ta\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Ta",
"Ru"
],
"chemical_system": "Lu-Ru-Ta",
"density": 13.742897472446202,
"density_atomic": 0.05932152268459325,
"volume": 67.42915250620942,
"volume_molar": 10.151696192997496,
"formula_full": "Lu1 Ta1 Ru2",
"formula_reduced": "LuTaRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.1226189875,
"spacegroup": 225
},
{
"id": "jvasp-112172",
"created_at": "2022-09-04T14:38:45.702499Z",
"updated_at": "2022-09-04T14:38:45.702524Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.011138 0.110778 0.360957\n1.301356 4.211132 1.200960\n0.069904 0.057487 8.500145\nCd H C O\n1 6 5 4\ndirect\n0.411619 0.274136 0.761799 Cd\n0.787485 0.009418 0.278486 H\n0.203478 0.787918 0.368857 H\n0.667891 0.496609 0.299247 H\n0.394023 0.457846 0.136702 H\n0.078890 0.280475 0.390725 H\n0.111223 0.263292 0.106087 H\n0.769064 0.778597 0.531833 C\n0.933126 0.784211 0.362093 C\n0.938390 0.498770 0.301001 C\n0.113776 0.483960 0.134494 C\n0.964885 0.754314 0.985404 C\n0.851161 0.508461 0.643238 O\n0.555008 0.038080 0.553270 O\n0.672762 0.971255 -0.001541 O\n0.139725 0.755202 0.851341 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.835747008789563,
"density_atomic": 0.11267023025190653,
"volume": 142.00734270470045,
"volume_molar": 5.344926292007908,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122605234375,
"spacegroup": 1
},
{
"id": "jvasp-101952",
"created_at": "2022-09-04T14:36:47.479361Z",
"updated_at": "2022-09-04T14:36:47.479370Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.063340 -0.115967 -0.278640\n-0.996942 4.200739 -0.387402\n-0.030213 -0.013224 8.234216\nCd H C O\n1 6 5 4\ndirect\n0.791678 0.342719 0.244145 Cd\n0.451789 0.748284 0.552066 H\n0.499068 0.118989 0.670422 H\n0.864760 0.549783 0.630671 H\n-0.000784 0.381169 0.879584 H\n0.909473 0.902369 0.763250 H\n0.403910 0.482686 0.807545 H\n0.153567 0.024710 0.453976 C\n0.311302 0.914167 0.601911 C\n0.051815 0.740718 0.710319 C\n0.197546 0.582941 0.848475 C\n0.341368 0.792585 0.007947 C\n0.864349 0.863757 0.382844 O\n0.305685 0.288653 0.401567 O\n0.557073 0.064413 0.002620 O\n0.256676 0.687686 0.142164 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.885952772424385,
"density_atomic": 0.11466501149691004,
"volume": 139.53689788302304,
"volume_molar": 5.251942751658192,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122310234375,
"spacegroup": 1
},
{
"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,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.9063042671808916,
"density_atomic": 0.1154736194556168,
"volume": 138.55978599640005,
"volume_molar": 5.215165843411238,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122226484374999,
"spacegroup": 1
},
{
"id": "jvasp-103963",
"created_at": "2022-09-04T14:37:02.118690Z",
"updated_at": "2022-09-04T14:37:02.118700Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.971338 -0.071611 -0.137775\n-0.925572 4.202753 -0.892935\n0.046874 0.029154 8.326286\nCd H C O\n1 6 5 4\ndirect\n0.576457 0.493157 0.765801 Cd\n0.426432 0.130600 0.426401 H\n0.257002 0.718988 0.338911 H\n0.867769 0.239139 0.319010 H\n0.064805 0.337351 0.073594 H\n0.772447 0.849159 0.193945 H\n0.449973 0.342420 0.182671 H\n0.985979 0.921381 0.537489 C\n0.188470 0.946041 0.386991 C\n0.984282 0.048851 0.255222 C\n0.202442 0.185046 0.126411 C\n0.278322 0.956889 0.978909 C\n0.039751 0.166095 0.656824 O\n0.762766 0.662981 0.536610 O\n0.097107 0.670217 0.936692 O\n0.532635 0.051365 0.895815 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.9063903810661773,
"density_atomic": 0.11547704094253115,
"volume": 138.55568058730077,
"volume_molar": 5.215011322464529,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122225859375,
"spacegroup": 1
},
{
"id": "jvasp-29047",
"created_at": "2022-09-04T14:37:05.424899Z",
"updated_at": "2022-09-04T14:37:05.424918Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.345399 0.000001 -0.000000\n-1.672699 2.897195 0.000045\n-0.000002 -0.000424 35.157785\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.666620 0.333239 0.033607 Te\n0.666633 0.333266 0.141705 Te\n0.333297 0.666593 0.087600 Mo\n0.333333 0.666666 0.473918 W\n0.666697 0.333395 0.286402 W\n0.666669 0.333337 0.654967 W\n0.333367 0.666735 0.334077 Se\n0.666645 0.333287 0.426267 Se\n0.666685 0.333368 0.521582 Se\n0.333375 0.666752 0.238725 Se\n0.333346 0.666692 0.698325 S\n0.333342 0.666685 0.611573 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.250334501844066,
"density_atomic": 0.03521551267024519,
"volume": 340.7589181610642,
"volume_molar": 17.100818086593744,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.122187075,
"spacegroup": 156
},
{
"id": "jvasp-28838",
"created_at": "2022-09-04T14:36:43.277813Z",
"updated_at": "2022-09-04T14:36:43.277842Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.345207 0.000005 -0.000013\n-1.672599 2.897036 0.000054\n-0.000136 0.000585 36.271147\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.666669 0.333340 0.415297 Te\n0.666670 0.333336 0.520151 Te\n0.333337 0.666673 0.467740 Mo\n0.333337 0.666672 0.099626 W\n0.666678 0.333359 0.275182 W\n0.666647 0.333298 0.660397 W\n0.333344 0.666682 0.321392 Se\n0.333312 0.666619 0.706554 Se\n0.333352 0.666711 0.228968 Se\n0.333318 0.666643 0.614163 Se\n0.666686 0.333376 0.057581 S\n0.666651 0.333297 0.141697 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
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"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.059153265602581,
"density_atomic": 0.034138363080061046,
"volume": 351.5107028376752,
"volume_molar": 17.64039109279176,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.1221570750000005,
"spacegroup": 156
},
{
"id": "jvasp-112173",
"created_at": "2022-09-04T14:38:43.454420Z",
"updated_at": "2022-09-04T14:38:43.454446Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n3.773974 0.128184 0.035178\n1.338979 4.250147 1.292811\n-0.303895 0.222087 9.038035\nCd H C O\n1 6 5 4\ndirect\n0.035000 0.548941 0.213347 Cd\n0.407147 0.389014 0.577814 H\n0.803504 0.484155 0.611424 H\n0.046988 0.878537 0.682446 H\n0.015720 0.538773 0.910105 H\n0.492257 0.810086 0.774382 H\n0.203306 0.249172 0.814603 H\n0.381074 0.847784 0.435894 C\n0.493823 0.584784 0.592670 C\n0.325407 0.693006 0.728336 C\n0.263753 0.423367 0.861333 C\n0.576728 0.239057 0.996417 C\n0.453183 0.768201 0.311725 O\n0.210909 0.134114 0.433432 O\n0.590817 0.360808 0.106891 O\n0.806868 0.970814 -0.003524 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.829113848777552,
"density_atomic": 0.11240668076616803,
"volume": 142.34029410835208,
"volume_molar": 5.357458043376844,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122133984374999,
"spacegroup": 1
},
{
"id": "jvasp-28931",
"created_at": "2022-09-04T14:37:38.174000Z",
"updated_at": "2022-09-04T14:37:38.174013Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.344920 0.000004 -0.000045\n-1.672457 2.896778 0.000045\n-0.000505 0.000263 35.149371\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333416 0.666733 0.331471 Te\n0.333386 0.666758 0.223261 Te\n0.666737 0.333412 0.277385 Mo\n0.333259 0.666744 0.085458 W\n0.333256 0.666443 0.476189 W\n0.666756 0.333416 0.663904 W\n0.333400 0.666685 0.711528 Se\n0.666579 0.333104 0.428490 Se\n0.666606 0.333120 0.523862 Se\n0.333434 0.666798 0.616227 Se\n0.666578 0.333402 0.042098 S\n0.666578 0.333378 0.128877 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.253622836253596,
"density_atomic": 0.03523403973980101,
"volume": 340.57973733975734,
"volume_molar": 17.091825985532058,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.122125408333334,
"spacegroup": 156
}
]
}