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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=309",
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"results": [
{
"id": "jvasp-116506",
"created_at": "2022-09-04T14:38:49.701316Z",
"updated_at": "2022-09-04T14:38:49.701341Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.185338 -0.012093 2.043935\n9.791844 2.803756 2.043935\n0.037342 0.005218 8.029426\nLi Mn Co O\n8 2 4 14\ndirect\n0.574885 0.574889 0.239354 Li\n0.709514 0.709518 0.629359 Li\n0.855994 0.855998 0.071000 Li\n0.005514 0.005515 0.499837 Li\n0.145509 0.145511 0.923175 Li\n0.282773 0.282775 0.363960 Li\n0.428034 0.428037 0.774507 Li\n0.139836 0.139837 0.435648 Li\n0.000690 0.000690 0.000001 Mn\n0.713753 0.713757 0.152386 Mn\n0.572156 0.572160 0.710925 Co\n0.856441 0.856446 0.569024 Co\n0.285638 0.285640 0.854860 Co\n0.428828 0.428831 0.285118 Co\n0.291860 0.291862 0.613647 O\n0.565071 0.565075 0.964928 O\n0.717331 0.717335 0.373548 O\n0.850708 0.850714 0.811834 O\n0.994668 0.994673 0.242224 O\n0.134307 0.134309 0.686308 O\n0.281261 0.281263 0.098230 O\n0.420719 0.420722 0.525998 O\n0.569704 0.569708 0.481383 O\n0.721353 0.721357 0.897005 O\n0.865134 0.865139 0.325153 O\n0.003441 0.003442 0.761335 O\n0.150936 0.150937 0.170842 O\n0.433896 0.433898 0.038433 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.512680868479435,
"density_atomic": 0.12172345683141612,
"volume": 230.02961572788132,
"volume_molar": 4.9473954460071825,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5552181100985223,
"spacegroup": 8
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{
"id": "jvasp-119594",
"created_at": "2022-09-04T14:38:49.423227Z",
"updated_at": "2022-09-04T14:38:49.423254Z",
"structure_string": "Li4 Nb3 V3 Fe2 O16\n1.0\n5.932551 0.044644 0.096045\n2.950448 5.147039 0.096045\n0.049450 0.028901 9.868093\nLi Nb V Fe O\n4 3 3 2 16\ndirect\n0.343319 0.343318 0.100810 Li\n0.984048 0.984047 0.001746 Li\n0.982560 0.982559 0.509594 Li\n0.669568 0.669568 0.609223 Li\n0.169556 0.169556 0.783940 Nb\n0.839513 0.346686 0.285425 Nb\n0.346687 0.839512 0.285425 Nb\n0.178517 0.646427 0.786432 V\n0.826904 0.826903 0.286037 V\n0.646428 0.178516 0.786432 V\n0.338290 0.338289 0.508135 Fe\n0.666699 0.666698 0.996201 Fe\n0.835885 0.835884 0.889307 O\n0.830045 0.318732 0.898107 O\n0.667762 0.667762 0.411917 O\n0.520202 0.981368 0.163314 O\n0.981369 0.520201 0.163314 O\n0.162803 0.162803 0.409419 O\n0.032953 0.488804 0.662523 O\n0.485376 0.485375 0.668881 O\n0.159071 0.677785 0.395969 O\n-0.001665 -0.001665 0.181852 O\n-0.003463 -0.003463 0.689059 O\n0.329201 0.329201 0.906116 O\n0.523359 0.523359 0.156369 O\n0.677786 0.159070 0.395969 O\n0.488805 0.032952 0.662523 O\n0.318733 0.830044 0.898107 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Nb-O-V",
"density": 4.57763008438591,
"density_atomic": 0.09333626110209026,
"volume": 299.99058960990396,
"volume_molar": 6.4520912760936975,
"formula_full": "Li4 Nb3 V3 Fe2 O16",
"formula_reduced": "Li4Nb3V3(FeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.4818674214285714,
"spacegroup": 8
},
{
"id": "jvasp-116528",
"created_at": "2022-09-04T14:38:49.439815Z",
"updated_at": "2022-09-04T14:38:49.439844Z",
"structure_string": "Mg16 Al12 Pt1\n1.0\n8.487440 -0.011258 2.934718\n-4.064071 7.451181 2.934718\n0.026939 0.045311 9.007916\nMg Al Pt\n16 12 1\ndirect\n0.992892 0.992891 0.009174 Mg\n0.582253 0.334827 0.017198 Mg\n0.317418 0.999197 0.398605 Mg\n0.353163 0.004397 0.004183 Mg\n0.677848 0.298057 0.309565 Mg\n0.007117 0.603337 0.676909 Mg\n0.603337 0.007117 0.676909 Mg\n0.298057 0.677848 0.309565 Mg\n0.714353 0.408304 0.596206 Mg\n0.999197 0.317418 0.398605 Mg\n0.408305 0.714353 0.596206 Mg\n0.334828 0.582253 0.017198 Mg\n0.610359 0.610359 0.328514 Mg\n0.011099 0.011098 0.650445 Mg\n0.695067 0.695066 0.702376 Mg\n0.004397 0.353163 0.004183 Mg\n0.371146 0.184169 0.632734 Al\n0.002299 0.813153 0.361451 Al\n0.007996 0.633461 0.179058 Al\n0.201195 0.820652 0.811634 Al\n0.820652 0.201195 0.811634 Al\n0.651544 0.836241 0.978114 Al\n0.813153 0.002299 0.361451 Al\n0.184169 0.371146 0.632734 Al\n0.364070 0.364070 0.826752 Al\n0.183902 0.183901 0.191055 Al\n0.836241 0.651544 0.978114 Al\n0.633461 0.007996 0.179058 Al\n0.317565 0.317564 0.360648 Pt\n",
"nsites": 29,
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"elements": [
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],
"chemical_system": "Al-Mg-Pt",
"density": 2.658439291973794,
"density_atomic": 0.051146155645403375,
"volume": 567.0025368291057,
"volume_molar": 11.774376165730892,
"formula_full": "Mg16 Al12 Pt1",
"formula_reduced": "Mg16Al12Pt",
"formula_anonymous": "AB12C16",
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"spacegroup": 8
},
{
"id": "jvasp-107779",
"created_at": "2022-09-04T14:38:49.385412Z",
"updated_at": "2022-09-04T14:38:49.385434Z",
"structure_string": "Ti1 Cr1 Ag1 S4\n1.0\n6.533161 -0.025085 2.832818\n5.621509 3.328883 2.832818\n-0.023709 -0.006444 5.952851\nTi Cr Ag S\n1 1 1 4\ndirect\n0.248054 0.248057 0.781975 Ti\n0.752208 0.752210 0.229526 Cr\n0.499114 0.499116 0.504638 Ag\n0.365959 0.365962 0.978874 S\n0.632693 0.632693 0.023397 S\n0.852322 0.852324 0.477016 S\n0.149643 0.149644 0.504577 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Ti",
"density": 4.273835693362149,
"density_atomic": 0.0536214720369349,
"volume": 130.5447190106669,
"volume_molar": 11.230838190812632,
"formula_full": "Ti1 Cr1 Ag1 S4",
"formula_reduced": "TiCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4655732847619056,
"spacegroup": 8
},
{
"id": "jvasp-118997",
"created_at": "2022-09-04T14:38:49.448142Z",
"updated_at": "2022-09-04T14:38:49.448167Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n6.381279 -0.020856 4.318684\n5.755791 2.755363 4.318684\n-0.080781 -0.018200 11.526611\nLi Mn Co O\n7 4 1 12\ndirect\n0.659366 0.659362 0.763187 Li\n0.024413 0.024413 0.225199 Li\n0.303800 0.303799 0.787120 Li\n0.684274 0.684271 0.224743 Li\n0.990196 0.990191 0.759212 Li\n0.338587 0.338585 0.238922 Li\n0.668242 0.668239 0.006326 Li\n0.004168 0.004168 0.997623 Mn\n-0.002719 -0.002719 0.501303 Mn\n0.329239 0.329237 0.507140 Mn\n0.671651 0.671648 0.493294 Mn\n0.331266 0.331264 -0.001568 Co\n0.491837 0.491835 0.889425 O\n0.825694 0.825690 0.393320 O\n0.148410 0.148410 0.884923 O\n0.485660 0.485658 0.393125 O\n0.833262 0.833258 0.885385 O\n0.176027 0.176026 0.378971 O\n0.826372 0.826367 0.621970 O\n0.180116 0.180116 0.117869 O\n0.515461 0.515459 0.604238 O\n0.844239 0.844234 0.105078 O\n0.173142 0.173142 0.608591 O\n0.497309 0.497306 0.114596 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.204694970769857,
"density_atomic": 0.11703275872759535,
"volume": 205.0707875378913,
"volume_molar": 5.14568811798848,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.787845494396552,
"spacegroup": 8
},
{
"id": "jvasp-119423",
"created_at": "2022-09-04T14:38:49.569829Z",
"updated_at": "2022-09-04T14:38:49.569855Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n6.156435 0.012047 1.504852\n5.492373 2.781309 1.504852\n-0.046847 -0.011234 11.601412\nLi Mn Co O\n7 2 3 12\ndirect\n0.674909 0.674912 0.578147 Li\n0.332585 0.332588 0.428276 Li\n-0.003242 -0.003241 0.262018 Li\n0.669946 0.669948 0.089377 Li\n0.333807 0.333811 0.908959 Li\n0.990516 0.990521 0.734701 Li\n0.335430 0.335432 0.655989 Li\n-0.001678 -0.001678 0.003131 Mn\n0.672774 0.672778 0.827887 Mn\n0.667181 0.667184 0.333780 Co\n0.334063 0.334065 0.168518 Co\n-0.002787 -0.002786 0.502031 Co\n0.497305 0.497307 0.118584 O\n0.507939 0.507941 0.383464 O\n0.174826 0.174827 0.217504 O\n0.839537 0.839539 0.052181 O\n0.502112 0.502116 0.889413 O\n0.161363 0.161366 0.724619 O\n0.841724 0.841727 0.536633 O\n0.820751 0.820755 0.798302 O\n0.503564 0.503567 0.608969 O\n0.160639 0.160640 0.445224 O\n0.827872 0.827875 0.279364 O\n0.158833 0.158836 0.952924 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.419868949762148,
"density_atomic": 0.1211575377515167,
"volume": 198.08920225188018,
"volume_molar": 4.970504412487214,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6910195492816094,
"spacegroup": 8
},
{
"id": "jvasp-116460",
"created_at": "2022-09-04T14:38:49.690060Z",
"updated_at": "2022-09-04T14:38:49.690085Z",
"structure_string": "Au2 S1\n1.0\n4.478273 -0.321596 0.240837\n-2.710197 -4.823571 0.033532\n0.503646 2.561306 -3.651833\nAu S\n2 1\ndirect\n0.142071 0.100289 0.664203 Au\n0.477216 0.772193 0.935718 Au\n0.058939 0.933933 0.048370 S\n",
"nsites": 3,
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"elements": [
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],
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"density": 8.777559485058955,
"density_atomic": 0.03722530268423286,
"volume": 80.59034537469803,
"volume_molar": 16.17754679144822,
"formula_full": "Au2 S1",
"formula_reduced": "Au2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8765717133333333,
"spacegroup": 8
},
{
"id": "jvasp-108827",
"created_at": "2022-09-04T14:38:49.608567Z",
"updated_at": "2022-09-04T14:38:49.608599Z",
"structure_string": "Mo2 H1 O6\n1.0\n7.886037 0.047847 -0.015021\n6.969136 3.690935 -0.015021\n-0.008213 -0.002067 3.807380\nMo H O\n2 1 6\ndirect\n0.907420 0.907422 0.240113 Mo\n0.090978 0.090977 0.743727 Mo\n0.241669 0.241667 0.980526 H\n0.085851 0.085850 0.244262 O\n0.945182 0.945184 0.741193 O\n0.427286 0.427287 0.241293 O\n0.575812 0.575812 0.744383 O\n0.797993 0.797995 0.231379 O\n0.213809 0.213808 0.747825 O\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "H-Mo-O",
"density": 4.378825302658949,
"density_atomic": 0.08215368167986263,
"volume": 109.5507811210616,
"volume_molar": 7.33033582532204,
"formula_full": "Mo2 H1 O6",
"formula_reduced": "Mo2HO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.606833644444445,
"spacegroup": 8
},
{
"id": "jvasp-110164",
"created_at": "2022-09-04T14:38:49.956470Z",
"updated_at": "2022-09-04T14:38:49.956507Z",
"structure_string": "Sr1 Pr1 Fe1 Co1 O6\n1.0\n4.700855 0.025807 -2.658067\n-1.480945 4.458495 -2.666570\n-0.044066 -0.052686 5.388875\nSr Pr Fe Co O\n1 1 1 1 6\ndirect\n0.750453 0.750024 0.500285 Sr\n0.253990 0.254641 0.504513 Pr\n0.499432 0.000257 -0.000143 Fe\n0.000079 0.499879 -0.000017 Co\n0.270512 0.720807 -0.009814 O\n0.211495 0.209501 -0.040983 O\n0.718938 0.268388 0.988877 O\n0.805996 0.807866 0.057753 O\n0.271001 0.719079 0.501141 O\n0.718104 0.269562 0.498393 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.527015090274638,
"density_atomic": 0.08947508026020103,
"volume": 111.76296205512375,
"volume_molar": 6.7305228925049425,
"formula_full": "Sr1 Pr1 Fe1 Co1 O6",
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"formula_anonymous": "ABCDE6",
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"spacegroup": 8
},
{
"id": "jvasp-119123",
"created_at": "2022-09-04T14:38:50.014688Z",
"updated_at": "2022-09-04T14:38:50.014714Z",
"structure_string": "Y4 U1 S7\n1.0\n6.502476 -0.001599 1.644061\n5.394583 3.630519 1.644061\n0.006111 0.001864 11.635115\nY U S\n4 1 7\ndirect\n0.699807 0.699807 0.186008 Y\n0.301918 0.301917 0.811572 Y\n0.116311 0.116310 0.578213 Y\n0.999869 0.999867 0.998150 Y\n0.884568 0.884567 0.423252 U\n0.040133 0.040133 0.214432 S\n0.959646 0.959644 0.784220 S\n0.740077 0.740076 0.651949 S\n0.256592 0.256592 0.349363 S\n0.500043 0.500042 0.502898 S\n0.341664 0.341664 0.050475 S\n0.659375 0.659373 0.949464 S\n",
"nsites": 12,
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"elements": [
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"U",
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],
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"density": 4.944764436726734,
"density_atomic": 0.04367847656557599,
"volume": 274.7348566973024,
"volume_molar": 13.787433155913199,
"formula_full": "Y4 U1 S7",
"formula_reduced": "Y4US7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.963159816666667,
"spacegroup": 8
},
{
"id": "jvasp-116820",
"created_at": "2022-09-04T14:38:49.854776Z",
"updated_at": "2022-09-04T14:38:49.854787Z",
"structure_string": "Li8 V4 O4 F12\n1.0\n5.862072 -0.004363 0.000000\n-0.154895 8.459350 0.000021\n-0.000013 0.000000 5.817730\nLi V O F\n8 4 4 12\ndirect\n0.506896 -0.001320 0.500000 Li\n0.006836 0.498711 -0.000000 Li\n0.999006 0.007418 0.500000 Li\n0.498957 0.507400 -0.000000 Li\n0.219983 0.117100 -0.000000 Li\n0.720007 0.617103 0.500000 Li\n0.275742 0.371290 0.500000 Li\n0.775737 0.871288 -0.000001 Li\n0.245815 0.749995 0.738918 V\n0.245816 0.749995 0.261082 V\n0.745810 0.249996 0.238919 V\n0.745810 0.249996 0.761080 V\n0.470806 0.757527 0.500000 O\n0.970798 0.257539 0.000001 O\n0.052599 0.745980 0.000000 O\n0.552599 0.245968 0.499999 O\n0.992472 0.245945 0.500001 F\n0.492471 0.745935 0.000000 F\n0.491152 0.254607 -0.000001 F\n-0.008844 0.754619 0.499999 F\n0.755461 0.011712 0.743636 F\n0.255426 0.511712 0.243641 F\n0.755459 0.011712 0.256363 F\n0.255425 0.511712 0.756359 F\n0.744426 0.489017 0.232717 F\n0.244450 0.989014 0.732715 F\n0.744426 0.489017 0.767284 F\n0.244448 0.989015 0.267285 F\n",
"nsites": 28,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.173069553317879,
"density_atomic": 0.09705596809730077,
"volume": 288.493335844421,
"volume_molar": 6.204812417060917,
"formula_full": "Li8 V4 O4 F12",
"formula_reduced": "Li2VOF3",
"formula_anonymous": "ABC2D3",
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"spacegroup": 8
},
{
"id": "jvasp-109801",
"created_at": "2022-09-04T14:38:49.858161Z",
"updated_at": "2022-09-04T14:38:49.858192Z",
"structure_string": "Zr1 Cr1 Cu1 S4\n1.0\n6.165402 0.022818 3.087566\n5.106916 3.454289 3.087566\n0.108728 0.033539 6.047609\nZr Cr Cu S\n1 1 1 4\ndirect\n0.755325 0.755326 0.232537 Zr\n0.244694 0.244695 0.771844 Cr\n0.497605 0.497606 0.477610 Cu\n0.382347 0.382348 0.935438 S\n0.623006 0.623007 0.039775 S\n0.865795 0.865796 0.487461 S\n0.131227 0.131228 0.555339 S\n",
"nsites": 7,
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"elements": [
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"S"
],
"chemical_system": "Cr-Cu-S-Zr",
"density": 4.386370838611093,
"density_atomic": 0.05519193829186047,
"volume": 126.83011716282371,
"volume_molar": 10.911268830883088,
"formula_full": "Zr1 Cr1 Cu1 S4",
"formula_reduced": "ZrCrCuS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.503500335714287,
"spacegroup": 8
}
]
}