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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4516",
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"results": [
{
"id": "jvasp-40484",
"created_at": "2022-09-04T14:38:05.282622Z",
"updated_at": "2022-09-04T14:38:05.282646Z",
"structure_string": "Tb6 Sb2 O14\n1.0\n-6.440623 -0.004211 0.002885\n0.919255 6.417258 0.001089\n-0.025472 -2.213333 -7.253344\nTb Sb O\n6 2 14\ndirect\n0.734735 0.463996 0.116987 Tb\n0.739411 0.475872 0.614873 Tb\n0.540641 0.995243 0.747894 Tb\n0.459358 0.004758 0.252106 Tb\n0.260588 0.524129 0.385127 Tb\n0.265263 0.536005 0.883013 Tb\n0.000000 0.000000 0.000000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.291295 0.932968 0.953134 O\n0.071138 0.331911 0.613124 O\n0.100900 0.073448 0.269066 O\n0.441660 0.646356 0.166353 O\n0.452402 0.637980 0.655701 O\n0.547597 0.362021 0.344299 O\n0.708704 0.067033 0.046866 O\n0.899098 0.926553 0.730934 O\n0.928861 0.668090 0.386876 O\n0.075041 0.321285 0.044483 O\n0.924958 0.678716 0.955517 O\n0.711043 0.065242 0.484348 O\n0.558338 0.353645 0.833647 O\n0.288955 0.934759 0.515652 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Sb",
"O"
],
"chemical_system": "O-Sb-Tb",
"density": 7.872596263820992,
"density_atomic": 0.07339695067876316,
"volume": 299.73997279924504,
"volume_molar": 8.204892307252841,
"formula_full": "Tb6 Sb2 O14",
"formula_reduced": "Tb3SbO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.215361436363636,
"spacegroup": 2
},
{
"id": "jvasp-45855",
"created_at": "2022-09-04T14:38:05.409011Z",
"updated_at": "2022-09-04T14:38:05.409031Z",
"structure_string": "Li2 Co2 Cu2 O8\n1.0\n5.563998 -0.010469 -0.010653\n2.725939 5.170304 0.335891\n2.732733 2.066140 4.922343\nLi Co Cu O\n2 2 2 8\ndirect\n0.500001 0.499999 0.000000 Li\n0.500000 0.500000 0.500000 Li\n-0.000000 0.000000 0.500000 Co\n0.500000 -0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.264806 0.209242 0.713170 O\n0.748463 0.775213 0.722250 O\n0.274714 0.753757 0.703697 O\n0.188906 0.788131 0.284423 O\n0.811095 0.211868 0.715577 O\n0.725286 0.246242 0.296303 O\n0.251537 0.224786 0.277749 O\n0.735195 0.790757 0.286830 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-Li-O",
"density": 4.655972767013837,
"density_atomic": 0.10147590800092392,
"volume": 137.96378151031212,
"volume_molar": 5.934552228835607,
"formula_full": "Li2 Co2 Cu2 O8",
"formula_reduced": "LiCoCuO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.9887807642857147,
"spacegroup": 2
},
{
"id": "jvasp-43052",
"created_at": "2022-09-04T14:38:05.554826Z",
"updated_at": "2022-09-04T14:38:05.554851Z",
"structure_string": "Li2 Fe2 P2 O8\n1.0\n4.939422 -0.171251 0.017274\n-1.049742 -5.030730 -0.128996\n-1.719636 0.161524 -5.674280\nLi Fe P O\n2 2 2 8\ndirect\n0.725411 0.688619 0.039841 Li\n0.274590 0.311381 -0.039840 Li\n0.012151 0.790319 0.623128 Fe\n-0.012152 0.209682 0.376873 Fe\n0.345815 0.808092 0.228402 P\n0.654184 0.191909 0.771599 P\n0.206347 0.631225 0.398868 O\n0.317107 0.147955 0.684183 O\n0.728638 0.326501 0.014956 O\n0.239555 0.076259 0.202212 O\n0.760445 0.923742 0.797789 O\n0.271363 0.673499 -0.014955 O\n0.682893 0.852045 0.315818 O\n0.793653 0.368776 0.601133 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.6913710008095473,
"density_atomic": 0.0986386235360449,
"volume": 141.93223200123091,
"volume_molar": 6.105256282088493,
"formula_full": "Li2 Fe2 P2 O8",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.434515,
"spacegroup": 2
},
{
"id": "jvasp-31854",
"created_at": "2022-09-04T14:38:05.563360Z",
"updated_at": "2022-09-04T14:38:05.563388Z",
"structure_string": "Cu1 H12 N10 O8\n1.0\n5.873165 -0.106909 -2.341268\n-3.577144 6.453497 -0.942728\n0.002587 0.023094 7.469761\nCu H N O\n1 12 10 8\ndirect\n0.000000 0.500000 0.000000 Cu\n0.744169 0.659992 0.078978 H\n0.135191 0.877810 0.966616 H\n0.255831 0.340007 0.921021 H\n0.857014 0.579422 0.273695 H\n0.007865 0.307123 0.256561 H\n0.303725 0.781375 0.907620 H\n0.142986 0.420577 0.726304 H\n0.864809 0.122190 0.033384 H\n0.992135 0.692877 0.743438 H\n0.696276 0.218625 0.092380 H\n0.948307 0.193709 0.739534 H\n0.051694 0.806290 0.260466 H\n0.593979 0.812545 0.392890 N\n0.489872 0.251814 0.336332 N\n0.510128 0.748186 0.663667 N\n0.121444 0.742807 0.895747 N\n0.671414 0.876327 0.599546 N\n0.904489 0.653708 0.175574 N\n0.878556 0.257192 0.104252 N\n0.406021 0.187455 0.607109 N\n0.095512 0.346292 0.824425 N\n0.328587 0.123672 0.400453 N\n0.611214 0.799450 0.856271 O\n0.388786 0.200550 0.143729 O\n0.719964 0.395696 0.449667 O\n0.451478 0.625273 0.281914 O\n0.548522 0.374727 0.718085 O\n0.280036 0.604304 0.550333 O\n0.695442 0.958441 0.331805 O\n0.304558 0.041558 0.668195 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Cu",
"H",
"N",
"O"
],
"chemical_system": "Cu-H-N-O",
"density": 2.0337836430787326,
"density_atomic": 0.11046721805824798,
"volume": 280.62623957502115,
"volume_molar": 5.4515184376459995,
"formula_full": "Cu1 H12 N10 O8",
"formula_reduced": "CuH12(N5O4)2",
"formula_anonymous": "AB8C10D12",
"energy_above_hull": 4.200684869354839,
"spacegroup": 2
},
{
"id": "jvasp-42275",
"created_at": "2022-09-04T14:38:05.598126Z",
"updated_at": "2022-09-04T14:38:05.598147Z",
"structure_string": "Li2 Co4 O3 F8\n1.0\n4.889875 0.020535 -0.108311\n-0.715687 6.162617 -0.058410\n-1.759312 -2.369838 6.169885\nLi Co O F\n2 4 3 8\ndirect\n0.677061 0.198544 0.412367 Li\n0.322938 0.801457 0.587634 Li\n0.898491 0.249134 0.970822 Co\n0.339208 0.372155 0.778797 Co\n0.660792 0.627847 0.221204 Co\n0.101508 0.750866 0.029179 Co\n0.728834 0.526374 0.951564 O\n0.271166 0.473627 0.048437 O\n-0.000000 0.000001 0.000000 O\n0.051519 0.802264 0.333622 F\n0.468057 0.106149 0.815369 F\n0.948480 0.197737 0.666379 F\n0.379354 0.282892 0.506242 F\n0.797340 0.366048 0.254369 F\n0.202659 0.633953 0.745632 F\n0.620646 0.717110 0.493759 F\n0.531942 0.893852 0.184632 F\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.057848891602645,
"density_atomic": 0.0923994089650972,
"volume": 183.98386083207038,
"volume_molar": 6.5175100441116385,
"formula_full": "Li2 Co4 O3 F8",
"formula_reduced": "Li2Co4O3F8",
"formula_anonymous": "A2B3C4D8",
"energy_above_hull": 1.403632138823529,
"spacegroup": 2
},
{
"id": "jvasp-11687",
"created_at": "2022-09-04T14:38:05.786523Z",
"updated_at": "2022-09-04T14:38:05.786550Z",
"structure_string": "Fe2 P2 O7\n1.0\n4.598571 0.035111 0.072468\n-0.813648 5.148980 0.031369\n-0.771834 -1.405187 5.164821\nFe P O\n2 2 7\ndirect\n0.540486 0.604527 0.309874 Fe\n0.517780 0.257864 0.690390 Fe\n0.125011 0.715678 0.784197 P\n0.933439 0.146701 0.215616 P\n0.826016 0.551683 0.627364 O\n0.308895 0.866840 0.628071 O\n0.308337 0.549382 0.921280 O\n0.029248 0.931616 0.999512 O\n0.232439 0.310442 0.372663 O\n0.749742 0.995091 0.371458 O\n0.750006 0.313273 0.078977 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 3.855744732222102,
"density_atomic": 0.0894217135256379,
"volume": 123.01262821189637,
"volume_molar": 6.734539657723518,
"formula_full": "Fe2 P2 O7",
"formula_reduced": "Fe2P2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.0986096818181816,
"spacegroup": 2
},
{
"id": "jvasp-44442",
"created_at": "2022-09-04T14:38:05.947193Z",
"updated_at": "2022-09-04T14:38:05.947221Z",
"structure_string": "Li6 Al4 Fe2 O12\n1.0\n5.308021 0.000691 0.024174\n-0.022888 5.783076 0.002908\n-1.120111 -0.106198 7.695421\nLi Al Fe O\n6 4 2 12\ndirect\n0.177718 0.842532 0.094142 Li\n0.346782 0.663161 0.419826 Li\n0.502309 0.833268 0.744375 Li\n0.497691 0.166732 0.255625 Li\n0.653218 0.336839 0.580174 Li\n0.822281 0.157468 0.905858 Li\n0.176089 0.167651 0.588161 Al\n0.657533 0.672544 0.078323 Al\n0.342467 0.327456 0.921677 Al\n0.823910 0.832350 0.411839 Al\n0.007644 0.330065 0.246406 Fe\n0.992355 0.669935 0.753594 Fe\n0.827542 0.816258 0.924841 O\n0.976011 0.666595 0.251333 O\n0.172458 0.183742 0.075159 O\n0.145547 0.850599 0.578904 O\n0.311700 0.323745 0.424702 O\n0.529851 0.829600 0.247068 O\n0.343228 0.644698 0.921861 O\n0.656771 0.355302 0.078139 O\n0.470148 0.170400 0.752932 O\n0.688299 0.676256 0.575298 O\n0.854453 0.149401 0.421096 O\n0.023988 0.333405 0.748667 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-Li-O",
"density": 3.1840260030653877,
"density_atomic": 0.1015304217343314,
"volume": 236.3823530921537,
"volume_molar": 5.931365847920712,
"formula_full": "Li6 Al4 Fe2 O12",
"formula_reduced": "Li3Al2FeO6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.164668508333333,
"spacegroup": 2
},
{
"id": "jvasp-44355",
"created_at": "2022-09-04T14:38:06.344895Z",
"updated_at": "2022-09-04T14:38:06.344922Z",
"structure_string": "Li6 Mn2 Al4 O12\n1.0\n5.245438 0.006461 -0.023450\n-0.063217 -5.849733 -0.018561\n-1.383712 -0.017504 -7.642574\nLi Mn Al O\n6 2 4 12\ndirect\n0.164753 0.835406 0.082481 Li\n-0.002565 0.660380 0.756978 Li\n0.328914 0.654203 0.401113 Li\n0.671087 0.345796 0.598887 Li\n0.002565 0.339619 0.243022 Li\n0.835247 0.164593 0.917519 Li\n0.504860 0.829136 0.738988 Mn\n0.495140 0.170863 0.261011 Mn\n0.328485 0.332700 0.915239 Al\n0.159259 0.176193 0.582383 Al\n0.840741 0.823806 0.417617 Al\n0.671515 0.667299 0.084761 Al\n0.474665 0.170057 0.757607 O\n0.171152 0.860133 0.577592 O\n0.525335 0.829942 0.242392 O\n0.801330 0.822131 0.914391 O\n0.679475 0.680196 0.573675 O\n0.975458 0.677036 0.251463 O\n0.345720 0.647377 0.921256 O\n0.654280 0.352622 0.078743 O\n0.024542 0.322963 0.748536 O\n0.320525 0.319803 0.426325 O\n0.198670 0.177868 0.085608 O\n0.828848 0.139866 0.422407 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Al",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.194110796244719,
"density_atomic": 0.10226124574153787,
"volume": 234.69301421047868,
"volume_molar": 5.888976529017428,
"formula_full": "Li6 Mn2 Al4 O12",
"formula_reduced": "Li3MnAl2O6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.2387278201149425,
"spacegroup": 2
},
{
"id": "jvasp-48220",
"created_at": "2022-09-04T14:38:06.188132Z",
"updated_at": "2022-09-04T14:38:06.188146Z",
"structure_string": "Li4 Cr5 O10\n1.0\n5.017248 0.011690 0.004042\n-1.665702 5.617130 -0.045123\n-0.837315 -1.833885 6.207076\nLi Cr O\n4 5 10\ndirect\n0.597881 0.189524 0.190598 Li\n0.807705 0.616105 0.614715 Li\n0.192296 0.383895 0.385286 Li\n0.402121 0.810475 0.809402 Li\n0.800944 0.102889 0.608169 Cr\n0.393213 0.299243 0.803764 Cr\n0.606789 0.700756 0.196237 Cr\n0.000000 0.500000 0.000000 Cr\n0.199058 0.897110 0.391832 Cr\n0.506812 0.768608 0.488642 O\n0.313429 0.373321 0.095359 O\n0.906396 0.562488 0.292739 O\n0.093605 0.437511 0.707261 O\n0.691035 0.167559 0.890754 O\n0.493189 0.231391 0.511359 O\n0.894777 0.033848 0.320019 O\n0.105225 0.966151 0.679982 O\n0.686572 0.626678 0.904641 O\n0.308966 0.832440 0.109247 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 4.256558986997855,
"density_atomic": 0.10877741142525107,
"volume": 174.66861686680502,
"volume_molar": 5.5362052480337365,
"formula_full": "Li4 Cr5 O10",
"formula_reduced": "Li4Cr5O10",
"formula_anonymous": "A4B5C10",
"energy_above_hull": 3.256459052631578,
"spacegroup": 2
},
{
"id": "jvasp-5662",
"created_at": "2022-09-04T14:38:06.210354Z",
"updated_at": "2022-09-04T14:38:06.210380Z",
"structure_string": "Ta2 Te4 Br12\n1.0\n6.768955 -0.426230 -0.173109\n0.979436 6.993244 -0.190259\n2.066727 1.031821 12.315749\nTa Te Br\n2 4 12\ndirect\n0.793339 0.323670 0.818488 Ta\n0.206663 0.676330 0.181512 Ta\n0.252838 0.157234 0.528085 Te\n0.747164 0.842766 0.471915 Te\n0.426547 0.845216 0.631152 Te\n0.573454 0.154783 0.368848 Te\n0.484457 0.149088 0.863452 Br\n0.515545 0.850912 0.136548 Br\n0.698275 0.405986 0.620392 Br\n0.301727 0.594014 0.379608 Br\n0.883815 0.525099 0.253323 Br\n0.960245 0.005649 0.743538 Br\n0.039757 0.994350 0.256462 Br\n0.377726 0.369062 0.130439 Br\n0.094059 0.753970 0.004593 Br\n0.905943 0.246029 0.995407 Br\n0.116187 0.474900 0.746677 Br\n0.622276 0.630938 0.869561 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ta",
"Te",
"Br"
],
"chemical_system": "Br-Ta-Te",
"density": 5.1366848740915305,
"density_atomic": 0.030407722248971793,
"volume": 591.9548939779155,
"volume_molar": 19.804642750588243,
"formula_full": "Ta2 Te4 Br12",
"formula_reduced": "Ta(TeBr3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.9813299292592595,
"spacegroup": 2
},
{
"id": "jvasp-43409",
"created_at": "2022-09-04T14:38:06.319184Z",
"updated_at": "2022-09-04T14:38:06.319214Z",
"structure_string": "Na2 Ni2 B2 O6\n1.0\n4.998981 -0.030014 0.017618\n-2.467402 -4.349129 -0.106328\n-1.097927 -0.112435 -5.439037\nNa Ni B O\n2 2 2 6\ndirect\n0.653126 0.320331 0.746012 Na\n0.343804 0.674248 0.250688 Na\n0.998451 0.997291 0.498367 Ni\n0.998439 0.997258 0.998363 Ni\n0.323416 0.657208 0.746887 B\n0.673471 0.337355 0.249811 B\n0.128795 0.344327 0.728365 O\n0.868082 0.650234 0.268355 O\n0.627790 0.782848 0.707035 O\n0.213305 0.842014 0.806428 O\n0.783616 0.152585 0.190271 O\n0.369098 0.211704 0.289660 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"B",
"O"
],
"chemical_system": "B-Na-Ni-O",
"density": 3.937051857109061,
"density_atomic": 0.10125594974003556,
"volume": 118.5115544400975,
"volume_molar": 5.947443854372251,
"formula_full": "Na2 Ni2 B2 O6",
"formula_reduced": "NaNiBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.929634080555556,
"spacegroup": 2
},
{
"id": "jvasp-32420",
"created_at": "2022-09-04T14:38:06.397150Z",
"updated_at": "2022-09-04T14:38:06.397179Z",
"structure_string": "Sb2 P2 O4 F12\n1.0\n5.317889 -0.042446 1.206377\n0.752854 7.301129 0.221783\n-0.103560 0.090711 7.270997\nSb P O F\n2 2 4 12\ndirect\n0.580909 0.238869 0.749545 Sb\n0.419091 0.761130 0.250455 Sb\n0.226600 0.194427 0.168394 P\n0.773400 0.805572 0.831607 P\n0.559011 0.726457 0.968191 O\n0.784458 0.010448 0.828889 O\n0.440988 0.273542 0.031810 O\n0.215541 0.989552 0.171111 O\n0.684452 0.914145 0.244072 F\n0.315548 0.085855 0.755928 F\n0.150710 0.628195 0.219343 F\n0.849290 0.371804 0.780658 F\n0.616810 0.547490 0.304575 F\n0.236038 0.259944 0.364100 F\n0.726679 0.183295 0.495885 F\n0.026073 0.719179 0.868774 F\n0.763961 0.740056 0.635901 F\n0.383189 0.452510 0.695425 F\n0.273321 0.816705 0.504115 F\n0.973926 0.280820 0.131226 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sb",
"P",
"O",
"F"
],
"chemical_system": "F-O-P-Sb",
"density": 3.500286315322511,
"density_atomic": 0.0705644300072968,
"volume": 283.4289173445017,
"volume_molar": 8.534244178514973,
"formula_full": "Sb2 P2 O4 F12",
"formula_reduced": "SbP(OF3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.7898790295000003,
"spacegroup": 2
}
]
}