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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4424",
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"results": [
{
"id": "jvasp-42223",
"created_at": "2022-09-04T14:38:27.805732Z",
"updated_at": "2022-09-04T14:38:27.805760Z",
"structure_string": "Sr4 Ta4 N4 O8\n1.0\n4.008493 4.094948 0.011412\n-4.008493 4.094948 0.011412\n0.000000 0.022759 8.109832\nSr Ta N O\n4 4 4 8\ndirect\n0.992201 0.007016 0.247721 Sr\n0.492988 0.507800 0.252281 Sr\n0.492201 0.507013 0.747718 Sr\n0.992985 0.007800 0.752278 Sr\n0.987267 0.495954 0.492127 Ta\n0.004048 0.512733 0.007869 Ta\n0.487268 0.995953 0.992131 Ta\n0.504046 0.012734 0.507872 Ta\n0.735483 0.264518 0.500000 N\n0.967012 0.532991 0.249998 N\n0.467010 0.032989 0.750001 N\n0.235482 0.764519 -0.000000 N\n0.274765 0.725236 0.500000 O\n0.541829 0.958174 0.249999 O\n0.041826 0.458171 0.750000 O\n0.269846 0.265435 0.037236 O\n0.769841 0.765433 0.537233 O\n0.234567 0.230160 0.462766 O\n0.734566 0.730155 0.962764 O\n0.774772 0.225228 -0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ta",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ta",
"density": 7.848073831582795,
"density_atomic": 0.07512111375253197,
"volume": 266.236734267347,
"volume_molar": 8.016575446203397,
"formula_full": "Sr4 Ta4 N4 O8",
"formula_reduced": "SrTaNO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.9037931520000004,
"spacegroup": 5
},
{
"id": "jvasp-118729",
"created_at": "2022-09-04T14:38:28.491823Z",
"updated_at": "2022-09-04T14:38:28.491847Z",
"structure_string": "Mg3 Se1\n1.0\n3.574600 -0.654348 -0.471170\n-1.264844 -5.039177 -1.156263\n1.276608 -6.667753 -6.793557\nMg Se\n3 1\ndirect\n0.762237 0.056109 0.078467 Mg\n0.070544 0.307788 0.254530 Mg\n0.128884 0.058835 0.681569 Mg\n0.591358 0.349137 0.735026 Se\n",
"nsites": 4,
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"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 2.6716235103173815,
"density_atomic": 0.04237403876192017,
"volume": 94.39742155507344,
"volume_molar": 14.211863999642759,
"formula_full": "Mg3 Se1",
"formula_reduced": "Mg3Se",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 5
},
{
"id": "jvasp-109410",
"created_at": "2022-09-04T14:38:28.255868Z",
"updated_at": "2022-09-04T14:38:28.255957Z",
"structure_string": "Cd1 Fe1 P2 S6\n1.0\n6.052712 -0.005796 0.879201\n-3.230110 5.118764 0.879201\n0.032251 0.058421 6.780218\nCd Fe P S\n1 1 2 6\ndirect\n0.668779 0.331219 0.000000 Cd\n0.325410 0.674589 0.000000 Fe\n0.055408 0.054012 0.827459 P\n0.945987 0.944590 0.172541 P\n0.111677 0.419447 0.745105 S\n0.392598 0.053198 0.743267 S\n0.946800 0.607401 0.256733 S\n0.580552 0.888321 0.254895 S\n0.740788 0.768005 0.751532 S\n0.231993 0.259211 0.248469 S\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Fe",
"P",
"S"
],
"chemical_system": "Cd-Fe-P-S",
"density": 3.35246698015531,
"density_atomic": 0.047774106577942496,
"volume": 209.31840941253816,
"volume_molar": 12.60544925141614,
"formula_full": "Cd1 Fe1 P2 S6",
"formula_reduced": "CdFe(PS3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.223976625,
"spacegroup": 5
},
{
"id": "jvasp-46516",
"created_at": "2022-09-04T14:38:29.417124Z",
"updated_at": "2022-09-04T14:38:29.417154Z",
"structure_string": "Li5 Mn1 O5\n1.0\n4.002606 -0.000187 0.000124\n-2.001085 4.616548 0.008527\n-0.000063 -1.804726 5.293765\nLi Mn O\n5 1 5\ndirect\n0.682614 0.361501 0.876676 Li\n0.696925 0.392892 0.348740 Li\n0.292119 0.583274 0.681846 Li\n0.309175 0.614636 0.153886 Li\n0.008252 0.988075 0.515284 Li\n0.945733 0.988079 0.015286 Mn\n0.145327 0.272486 0.847556 O\n0.513667 0.988069 0.015287 O\n0.154542 0.298156 0.327151 O\n0.844474 0.677993 0.703416 O\n0.860901 0.703657 0.183009 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.8779685186865387,
"density_atomic": 0.11238316213135452,
"volume": 97.87943132569178,
"volume_molar": 5.358579208655176,
"formula_full": "Li5 Mn1 O5",
"formula_reduced": "Li5MnO5",
"formula_anonymous": "AB5C5",
"energy_above_hull": 1.992365885579937,
"spacegroup": 5
},
{
"id": "jvasp-40423",
"created_at": "2022-09-04T14:38:29.692510Z",
"updated_at": "2022-09-04T14:38:29.692536Z",
"structure_string": "K2 Zn1 H4 I4 O14\n1.0\n-0.000000 7.619858 0.000000\n-6.908883 3.809929 -0.044141\n2.008685 -3.809929 6.626683\nK Zn H I O\n2 1 4 4 14\ndirect\n0.024520 0.000000 0.000000 K\n0.497097 0.000000 0.000000 K\n0.960297 0.499999 0.500000 Zn\n0.573949 0.465960 0.369870 H\n0.343941 0.371121 0.470774 H\n0.244288 0.628876 0.529225 H\n0.670037 0.534040 0.630129 H\n0.007685 0.508798 0.992292 I\n0.554691 0.961370 0.515744 I\n0.000319 0.038629 0.484257 I\n0.524193 0.491200 0.007707 I\n0.060932 0.582089 0.834741 O\n0.604473 0.103383 0.785548 O\n0.251290 0.851220 0.584541 O\n0.839648 0.818135 0.535423 O\n0.691226 0.499999 0.500000 O\n0.223559 0.499999 0.500000 O\n0.438297 0.766256 0.129836 O\n0.517970 0.148778 0.415459 O\n0.922308 0.896616 0.214451 O\n0.808279 0.417911 0.165260 O\n0.074717 0.233744 0.870164 O\n0.433452 0.414845 0.134029 O\n0.122362 0.181862 0.464576 O\n0.714268 0.585153 0.865971 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
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"Zn",
"H",
"I",
"O"
],
"chemical_system": "H-I-K-O-Zn",
"density": 4.193251309236945,
"density_atomic": 0.07180108157967859,
"volume": 348.1841700707137,
"volume_molar": 8.387256330278468,
"formula_full": "K2 Zn1 H4 I4 O14",
"formula_reduced": "K2ZnH4(I2O7)2",
"formula_anonymous": "AB2C4D4E14",
"energy_above_hull": 1.97264722,
"spacegroup": 5
},
{
"id": "jvasp-44609",
"created_at": "2022-09-04T14:38:30.456168Z",
"updated_at": "2022-09-04T14:38:30.456195Z",
"structure_string": "Li7 Co5 O12\n1.0\n4.868905 0.084679 -0.068534\n2.201531 4.343577 0.068534\n-0.560099 0.894291 9.182267\nLi Co O\n7 5 12\ndirect\n0.251262 0.251262 0.750000 Li\n0.181697 0.647059 0.509892 Li\n0.309927 0.850484 0.988490 Li\n0.647058 0.181697 0.990108 Li\n0.850482 0.309928 0.511510 Li\n0.752782 0.752784 0.250000 Li\n0.916449 0.916451 0.750000 Li\n0.422538 0.422539 0.250000 Co\n0.510653 -0.007071 0.504354 Co\n0.578940 0.578941 0.750000 Co\n0.082873 0.082873 0.250000 Co\n-0.007071 0.510653 0.995647 Co\n0.766282 0.074309 0.364747 O\n0.929715 0.252624 0.872073 O\n0.252623 0.929717 0.627927 O\n0.168173 0.336864 0.373848 O\n0.336863 0.168173 0.126152 O\n0.281231 0.545544 0.875323 O\n0.545543 0.281232 0.624677 O\n0.428873 0.743265 0.364295 O\n0.743263 0.428874 0.135705 O\n0.645387 0.830136 0.879486 O\n0.830134 0.645388 0.620515 O\n0.074308 0.766284 0.135253 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.632146731387942,
"density_atomic": 0.12508095958884904,
"volume": 191.87572656054036,
"volume_molar": 4.814594307395187,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.5999111041666665,
"spacegroup": 5
},
{
"id": "jvasp-116312",
"created_at": "2022-09-04T14:38:30.690893Z",
"updated_at": "2022-09-04T14:38:30.690921Z",
"structure_string": "Li1 Se3\n1.0\n4.374430 0.443122 -0.461998\n-1.452789 -3.749318 0.311620\n0.295267 -0.591882 -5.801613\nLi Se\n1 3\ndirect\n0.274032 0.640678 0.653675 Li\n-0.039035 -0.029243 0.453471 Se\n0.270063 0.477142 0.155133 Se\n0.583190 0.282213 0.859260 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Se"
],
"chemical_system": "Li-Se",
"density": 4.431780602217732,
"density_atomic": 0.04378426241089296,
"volume": 91.35702601226991,
"volume_molar": 13.754121751521772,
"formula_full": "Li1 Se3",
"formula_reduced": "LiSe3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.111767525,
"spacegroup": 5
},
{
"id": "jvasp-44395",
"created_at": "2022-09-04T14:38:31.198959Z",
"updated_at": "2022-09-04T14:38:31.198992Z",
"structure_string": "Li2 Sc1 Fe1 Si4 O12\n1.0\n4.829954 4.367711 0.010626\n-4.829954 4.367711 -0.010626\n-1.811237 0.000000 5.015968\nLi Sc Fe Si O\n2 1 1 4 12\ndirect\n0.745601 0.745601 0.750000 Li\n0.246502 0.246502 0.250000 Li\n0.092720 0.092720 0.750000 Sc\n0.905204 0.905205 0.250000 Fe\n0.209682 0.611626 0.758633 Si\n0.394534 0.790587 0.266886 Si\n0.611626 0.209683 0.741368 Si\n0.790586 0.394534 0.233115 Si\n0.887564 0.636219 0.158514 O\n0.664346 0.368021 0.469834 O\n0.374088 0.114095 0.653924 O\n0.627350 0.353074 0.959248 O\n0.368021 0.664346 0.030166 O\n0.200689 0.962133 0.164782 O\n0.353074 0.627351 0.540753 O\n0.114094 0.374089 0.846077 O\n0.791126 0.024839 0.866726 O\n0.024838 0.791126 0.633274 O\n0.636219 0.887564 0.341486 O\n0.962133 0.200689 0.335218 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Sc",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Sc-Si",
"density": 3.2851481796575452,
"density_atomic": 0.09442858473816641,
"volume": 211.80027271886394,
"volume_molar": 6.377455276596932,
"formula_full": "Li2 Sc1 Fe1 Si4 O12",
"formula_reduced": "Li2ScFe(SiO3)4",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 2.9535368575,
"spacegroup": 5
},
{
"id": "jvasp-40738",
"created_at": "2022-09-04T14:38:31.613641Z",
"updated_at": "2022-09-04T14:38:31.613675Z",
"structure_string": "Li2 Mn1 V4 Ni1 O12\n1.0\n6.633883 -0.261931 -0.048871\n-0.966885 6.568269 0.048871\n-1.466715 1.318020 5.540199\nLi Mn V Ni O\n2 1 4 1 12\ndirect\n0.276802 0.276802 0.250000 Li\n0.716947 0.716947 0.750000 Li\n0.073753 0.073752 0.750000 Mn\n0.201034 0.613244 0.774872 V\n0.388359 0.804742 0.270024 V\n0.613244 0.201033 0.725129 V\n0.804742 0.388358 0.229976 V\n0.924029 0.924029 0.250000 Ni\n0.781662 0.009725 0.821951 O\n0.605088 0.324350 0.411763 O\n0.639842 0.914660 0.277898 O\n0.684306 0.393482 0.911544 O\n0.324351 0.605088 0.088237 O\n0.081326 0.364042 0.773854 O\n0.393483 0.684305 0.588457 O\n0.210676 0.991940 0.164045 O\n0.914660 0.639842 0.222103 O\n0.009726 0.781662 0.678050 O\n0.364042 0.081325 0.726146 O\n0.991940 0.210676 0.335956 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O-V",
"density": 3.632832098263893,
"density_atomic": 0.08361775909116559,
"volume": 239.18364014269605,
"volume_molar": 7.201987742142511,
"formula_full": "Li2 Mn1 V4 Ni1 O12",
"formula_reduced": "Li2MnV4NiO12",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 3.240115922068965,
"spacegroup": 5
},
{
"id": "jvasp-111652",
"created_at": "2022-09-04T14:38:37.600989Z",
"updated_at": "2022-09-04T14:38:37.601008Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.837271 -0.088768 -0.879872\n-2.354428 4.303460 0.361565\n0.061331 0.173679 9.580088\nLi Mn Co O\n7 2 3 12\ndirect\n0.755954 0.990543 0.267183 Li\n0.583873 0.658678 0.732592 Li\n0.433127 0.348903 0.267566 Li\n0.074723 0.658503 0.267412 Li\n0.915885 0.349095 0.732429 Li\n0.234712 0.990735 0.732824 Li\n0.833578 0.667133 0.500001 Li\n0.000573 0.001172 0.000005 Mn\n0.499953 -0.000105 0.500000 Mn\n0.333585 0.667195 0.000003 Co\n0.166450 0.332896 0.499999 Co\n0.666628 0.333284 -0.000008 Co\n0.630759 0.000534 0.892837 O\n0.036312 0.333347 0.107514 O\n0.870037 0.018605 0.615231 O\n0.703676 0.667387 0.109435 O\n0.369827 0.000649 0.107160 O\n0.225557 0.668597 0.614758 O\n0.520086 0.312674 0.614820 O\n0.443006 0.668507 0.385236 O\n0.296929 0.333235 0.892486 O\n0.148542 0.018520 0.384776 O\n0.792556 0.312588 0.385183 O\n0.963654 0.667324 0.890566 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.42828371789476,
"density_atomic": 0.12138820354710596,
"volume": 197.71278673455737,
"volume_molar": 4.961059299030689,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.690724965948276,
"spacegroup": 5
},
{
"id": "jvasp-57532",
"created_at": "2022-09-04T14:38:32.211530Z",
"updated_at": "2022-09-04T14:38:32.211551Z",
"structure_string": "Na4 Sr1 Si3 O9\n1.0\n6.186034 0.034304 -2.161506\n-3.065092 5.498856 -2.297861\n-0.028873 -0.063238 6.655884\nNa Sr Si O\n4 1 3 9\ndirect\n0.498635 0.498635 -0.002731 Na\n0.531288 0.031288 0.062576 Na\n0.458769 0.457536 0.479190 Na\n0.020421 0.021654 0.479190 Na\n0.984060 0.484060 0.968119 Sr\n0.492936 0.963503 0.531533 Si\n0.959265 0.959264 0.918529 Si\n0.038597 0.568032 0.531534 Si\n0.763287 0.001077 0.720164 O\n0.218431 0.208772 0.061738 O\n0.515908 0.229878 0.642897 O\n0.956877 0.719087 0.720164 O\n0.126990 0.413019 0.642897 O\n0.821582 0.435615 0.249224 O\n0.290002 0.790001 0.580003 O\n0.427643 0.813610 0.249225 O\n0.843307 0.852966 0.061737 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
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"Si",
"O"
],
"chemical_system": "Na-O-Si-Sr",
"density": 3.003871914581009,
"density_atomic": 0.07540530072748537,
"volume": 225.44834164163035,
"volume_molar": 7.986362632202749,
"formula_full": "Na4 Sr1 Si3 O9",
"formula_reduced": "Na4Sr(SiO3)3",
"formula_anonymous": "AB3C4D9",
"energy_above_hull": 1.883304682941176,
"spacegroup": 5
},
{
"id": "jvasp-119407",
"created_at": "2022-09-04T14:38:32.620168Z",
"updated_at": "2022-09-04T14:38:32.620197Z",
"structure_string": "Ca1 B2 H10 N2\n1.0\n5.009719 0.110219 0.296338\n3.128358 3.914436 0.296338\n0.034065 0.016847 6.305270\nCa B H N\n1 2 10 2\ndirect\n0.448141 0.551859 0.000000 Ca\n0.790020 0.865404 0.216345 B\n0.134596 0.209981 0.783655 B\n0.571960 0.693486 0.423527 H\n0.306515 0.428040 0.576474 H\n0.630778 0.060258 0.682559 H\n0.939743 0.369222 0.317442 H\n0.037052 0.807327 0.305283 H\n0.192673 0.962949 0.694718 H\n0.836361 0.469940 0.742814 H\n0.530061 0.163638 0.257187 H\n0.849511 0.857592 0.020415 H\n0.142408 0.150490 0.979585 H\n0.716369 0.616333 0.284247 N\n0.383667 0.283631 0.715754 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ca",
"B",
"H",
"N"
],
"chemical_system": "B-Ca-H-N",
"density": 1.364699553712922,
"density_atomic": 0.12353215077252823,
"volume": 121.42587906221239,
"volume_molar": 4.874958237462533,
"formula_full": "Ca1 B2 H10 N2",
"formula_reduced": "CaB2(H5N)2",
"formula_anonymous": "AB2C2D10",
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"spacegroup": 5
}
]
}