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=density&page=165",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=163",
"results": [
{
"id": "jvasp-114776",
"created_at": "2022-09-04T14:38:43.627581Z",
"updated_at": "2022-09-04T14:38:43.627603Z",
"structure_string": "Na1 Cl1 O1\n1.0\n4.413424 -0.000000 -0.000000\n-2.206712 3.822137 0.000000\n-0.000000 0.000000 3.818743\nNa Cl O\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Na\n0.000000 0.000000 0.000000 Cl\n0.666666 0.333334 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"Cl",
"O"
],
"chemical_system": "Cl-Na-O",
"density": 1.918959389820102,
"density_atomic": 0.046571360052985636,
"volume": 64.41727268833914,
"volume_molar": 12.930996116816063,
"formula_full": "Na1 Cl1 O1",
"formula_reduced": "NaClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6029605705555555,
"spacegroup": 187
},
{
"id": "jvasp-38436",
"created_at": "2022-09-04T14:37:51.031714Z",
"updated_at": "2022-09-04T14:37:51.031736Z",
"structure_string": "K6 Pr2\n1.0\n4.272966 -7.400993 -0.000000\n4.272966 7.400993 -0.000000\n0.000000 -0.000000 7.062873\nK Pr\n6 2\ndirect\n0.829323 0.658644 0.750000 K\n0.829322 0.170679 0.750000 K\n0.341357 0.170678 0.750000 K\n0.170678 0.341357 0.250000 K\n0.170679 0.829322 0.250000 K\n0.658644 0.829323 0.250000 K\n0.666667 0.333334 0.250000 Pr\n0.333334 0.666667 0.750000 Pr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Pr"
],
"chemical_system": "K-Pr",
"density": 1.9195914053354914,
"density_atomic": 0.017908498035532884,
"volume": 446.7152959520624,
"volume_molar": 33.62727989835473,
"formula_full": "K6 Pr2",
"formula_reduced": "K3Pr",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-99362",
"created_at": "2022-09-04T14:36:14.401498Z",
"updated_at": "2022-09-04T14:36:14.401524Z",
"structure_string": "Li4 Al4 Si4 H8 O20\n1.0\n4.762480 0.000000 0.000000\n0.000000 8.995440 0.000000\n0.000000 0.000000 11.620890\nLi Al Si H O\n4 4 4 8 20\ndirect\n0.388466 0.585308 0.188267 Li\n0.388466 0.914692 0.688267 Li\n0.888466 0.085308 0.311733 Li\n0.888466 0.414692 0.811733 Li\n0.363488 0.043547 0.142297 Al\n0.863488 0.956453 0.857703 Al\n0.363488 0.456453 0.642297 Al\n0.863488 0.543547 0.357703 Al\n0.772732 0.879505 0.114177 Si\n0.272732 0.379505 0.385822 Si\n0.272732 0.120495 0.885822 Si\n0.772732 0.620495 0.614177 Si\n0.873581 0.646888 0.949919 H\n0.373581 0.353112 0.050081 H\n0.683633 0.510704 0.986986 H\n0.183633 0.010704 0.513014 H\n0.683633 0.989296 0.486986 H\n0.183633 0.489296 0.013014 H\n0.873581 0.853112 0.449919 H\n0.373581 0.146888 0.550081 H\n0.029121 0.526924 0.676023 O\n0.029121 0.973076 0.176023 O\n0.218909 0.221363 0.309226 O\n0.718909 0.721363 0.190774 O\n0.985725 0.866678 0.728884 O\n0.864863 0.535931 0.947734 O\n0.860381 0.837213 0.979977 O\n0.860381 0.662787 0.479977 O\n0.360381 0.337213 0.520023 O\n0.360381 0.162787 0.020023 O\n0.218909 0.278637 0.809226 O\n0.485725 0.133322 0.271116 O\n0.718909 0.778637 0.690774 O\n0.485725 0.366678 0.771116 O\n0.864863 0.964069 0.447734 O\n0.529121 0.473076 0.323977 O\n0.985725 0.633322 0.228884 O\n0.529121 0.026924 0.823977 O\n0.364863 0.035931 0.552266 O\n0.364863 0.464069 0.052266 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-Li-O-Si",
"density": 1.9214969485321238,
"density_atomic": 0.0803461414526056,
"volume": 497.84593605649513,
"volume_molar": 7.495245759315432,
"formula_full": "Li4 Al4 Si4 H8 O20",
"formula_reduced": "LiAlSiH2O5",
"formula_anonymous": "ABCD2E5",
"energy_above_hull": 2.5466818899999994,
"spacegroup": 33
},
{
"id": "jvasp-117527",
"created_at": "2022-09-04T14:38:44.529108Z",
"updated_at": "2022-09-04T14:38:44.529143Z",
"structure_string": "Ba1 Br1 Cl1\n1.0\n6.238986 0.001208 0.000000\n0.001181 5.922036 0.000000\n0.000000 0.000000 5.909993\nBa Br Cl\n1 1 1\ndirect\n-0.047623 -0.054212 0.000000 Ba\n0.452383 -0.054442 0.000000 Br\n-0.047663 0.445810 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Br",
"Cl"
],
"chemical_system": "Ba-Br-Cl",
"density": 1.9215639245897633,
"density_atomic": 0.013738814215245039,
"volume": 218.3594561364038,
"volume_molar": 43.83304603768231,
"formula_full": "Ba1 Br1 Cl1",
"formula_reduced": "BaBrCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2085833333333333,
"spacegroup": 47
},
{
"id": "jvasp-88729",
"created_at": "2022-09-04T14:35:45.809659Z",
"updated_at": "2022-09-04T14:35:45.809683Z",
"structure_string": "Ca2 H16 Cl4 O8\n1.0\n6.549103 -0.004429 -0.405882\n-2.279458 5.801389 -0.759527\n-0.017837 0.115704 8.311837\nCa H Cl O\n2 16 4 8\ndirect\n0.881626 0.004039 0.744583 Ca\n0.118372 0.995961 0.255417 Ca\n0.204282 0.754530 0.533171 H\n0.795716 0.245469 0.466829 H\n0.391632 0.761743 0.418199 H\n0.554393 0.242319 0.169737 H\n0.445605 0.757681 0.830263 H\n0.549856 0.408353 0.324359 H\n0.450142 0.591647 0.675641 H\n0.608367 0.238256 0.581801 H\n0.096089 0.684197 0.818929 H\n0.081177 0.460426 0.331652 H\n0.918821 0.539573 0.668348 H\n0.788809 0.647198 -0.001444 H\n0.211191 0.352802 0.001443 H\n0.672773 0.810383 0.067122 H\n0.327226 0.189616 0.932878 H\n0.903909 0.315803 0.181071 H\n0.738348 0.764965 0.407003 Cl\n0.261651 0.235034 0.592997 Cl\n0.291635 0.718513 0.048317 Cl\n0.708364 0.281487 0.951683 Cl\n0.765795 0.260109 0.582196 O\n0.186012 0.187243 0.969456 O\n0.813986 0.812757 0.030544 O\n0.019239 0.698837 0.716553 O\n0.980759 0.301162 0.283447 O\n0.514848 0.754164 0.728269 O\n0.485151 0.245835 0.271731 O\n0.234204 0.739890 0.417804 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ca",
"H",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-H-O",
"density": 1.9215939871970127,
"density_atomic": 0.09482997535090627,
"volume": 316.3556659061527,
"volume_molar": 6.3504611677012806,
"formula_full": "Ca2 H16 Cl4 O8",
"formula_reduced": "CaH8(ClO2)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.394372837,
"spacegroup": 2
},
{
"id": "jvasp-29642",
"created_at": "2022-09-04T14:37:01.532532Z",
"updated_at": "2022-09-04T14:37:01.532558Z",
"structure_string": "Mg2 Cl4\n1.0\n6.064337 1.783456 3.136456\n3.021527 6.026511 2.187438\n2.667421 0.010145 6.566110\nMg Cl\n2 4\ndirect\n0.500108 0.867833 0.867843 Mg\n0.499893 0.132166 0.132158 Mg\n0.976998 0.762393 0.760642 Cl\n0.023002 0.237607 0.239359 Cl\n0.500000 -0.000000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 1.921793090205747,
"density_atomic": 0.03646629645150415,
"volume": 164.53549123035538,
"volume_molar": 16.514264803415763,
"formula_full": "Mg2 Cl4",
"formula_reduced": "MgCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0568133333333332,
"spacegroup": 12
},
{
"id": "jvasp-76272",
"created_at": "2022-09-04T14:35:54.478762Z",
"updated_at": "2022-09-04T14:35:54.478772Z",
"structure_string": "Li14 I2 N4\n1.0\n6.861212 -0.000000 3.961323\n2.287070 6.468812 3.961323\n0.000000 0.000000 7.922644\nLi I N\n14 2 4\ndirect\n0.642895 0.642895 0.107104 Li\n0.892895 0.357105 0.892894 Li\n0.892895 0.892895 0.357104 Li\n0.357105 0.357105 0.892895 Li\n0.357105 0.892895 0.357104 Li\n0.107105 0.642895 0.107105 Li\n0.642895 0.107105 0.642895 Li\n0.642895 0.107105 0.107105 Li\n0.107105 0.107105 0.642895 Li\n0.357105 0.892895 0.892894 Li\n0.892895 0.357105 0.357104 Li\n0.625000 0.625000 0.624999 Li\n0.375000 0.375000 0.375000 Li\n0.107105 0.642895 0.642895 Li\n0.875000 0.875000 0.874999 I\n0.125000 0.125000 0.125000 I\n0.000000 0.500000 -0.000000 N\n0.500000 0.000000 -0.000000 N\n-0.000000 -0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"I",
"N"
],
"chemical_system": "I-Li-N",
"density": 1.92202215771908,
"density_atomic": 0.05687671249156438,
"volume": 351.63776392607576,
"volume_molar": 10.588060554472392,
"formula_full": "Li14 I2 N4",
"formula_reduced": "Li7IN2",
"formula_anonymous": "AB2C7",
"energy_above_hull": 1.7956642775,
"spacegroup": 227
},
{
"id": "jvasp-79549",
"created_at": "2022-09-04T14:38:03.495696Z",
"updated_at": "2022-09-04T14:38:03.495734Z",
"structure_string": "Na1 N3\n1.0\n2.548963 1.789685 -1.739835\n2.473674 -1.787409 -1.876021\n0.607973 -0.292739 -6.704586\nNa N\n1 3\ndirect\n0.874997 0.125002 -0.000003 Na\n0.875005 0.124988 0.500002 N\n0.692003 0.041224 0.723940 N\n0.057995 0.208780 0.276061 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.9223382286185597,
"density_atomic": 0.07122974731857915,
"volume": 56.156313205910585,
"volume_molar": 8.454530567216011,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.645524687500001,
"spacegroup": 12
},
{
"id": "jvasp-85664",
"created_at": "2022-09-04T14:35:58.522485Z",
"updated_at": "2022-09-04T14:35:58.522510Z",
"structure_string": "K2 H6 C4 O6\n1.0\n3.730971 0.012133 0.067720\n-0.240307 5.456405 -1.071359\n0.188542 -0.079984 9.698053\nK H C O\n2 6 4 6\ndirect\n0.880778 0.707030 0.874189 K\n0.119220 0.292971 0.125810 K\n0.016330 0.164739 0.602551 H\n0.983668 0.835262 0.397449 H\n0.158407 0.471605 0.584326 H\n0.841592 0.528396 0.415674 H\n0.439589 0.218073 0.518632 H\n0.560409 0.781928 0.481368 H\n0.754380 0.704999 0.397595 C\n0.245619 0.295002 0.602405 C\n0.495402 0.151262 0.797453 C\n0.504597 0.848739 0.202546 C\n0.662142 0.217272 0.911004 O\n0.408702 0.350146 0.738090 O\n0.591296 0.649855 0.261909 O\n0.404573 0.938740 0.735253 O\n0.595425 0.061261 0.264746 O\n0.337856 0.782730 0.088996 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-O",
"density": 1.9235703605877268,
"density_atomic": 0.09133917317439927,
"volume": 197.0676914890782,
"volume_molar": 6.593163207752683,
"formula_full": "K2 H6 C4 O6",
"formula_reduced": "KH3C2O3",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 3.3149231666666665,
"spacegroup": 2
},
{
"id": "jvasp-33530",
"created_at": "2022-09-04T14:38:02.953098Z",
"updated_at": "2022-09-04T14:38:02.953130Z",
"structure_string": "Si2 H20 O8 F12\n1.0\n5.804642 0.000000 -1.557941\n0.000000 9.946337 0.000000\n0.058102 0.000000 6.447332\nSi H O F\n2 20 8 12\ndirect\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.610313 0.356008 0.631815 H\n0.389686 0.643992 0.368185 H\n0.610313 0.143992 0.131815 H\n0.744874 0.224495 0.736173 H\n0.255125 0.724495 0.763827 H\n0.255125 0.775505 0.263827 H\n0.744874 0.275505 0.236173 H\n0.432658 0.191860 0.628377 H\n0.567341 0.691860 0.871622 H\n0.389686 0.856009 0.868185 H\n0.432658 0.308140 0.128377 H\n0.173724 0.114862 0.649750 H\n0.826275 0.614862 0.850250 H\n0.826276 0.885139 0.350250 H\n0.173724 0.385138 0.149750 H\n0.216291 0.122302 0.410481 H\n0.783709 0.622302 0.089519 H\n0.783708 0.877699 0.589518 H\n0.216291 0.377698 0.910481 H\n0.567342 0.808140 0.371623 H\n0.597824 0.273915 0.715705 O\n0.402175 0.773915 0.784295 O\n0.402176 0.726086 0.284295 O\n0.597824 0.226085 0.215705 O\n0.706420 0.612982 0.933156 O\n0.706420 0.887018 0.433156 O\n0.293580 0.387018 0.066844 O\n0.293579 0.112982 0.566844 O\n0.969179 0.394473 0.279528 F\n0.066040 0.363987 0.668493 F\n0.933959 0.863987 0.831507 F\n0.933959 0.636013 0.331507 F\n0.066040 0.136013 0.168493 F\n0.282679 0.519838 0.509479 F\n0.717320 0.019838 0.990520 F\n0.717320 0.480162 0.490520 F\n0.282680 0.980162 0.009480 F\n0.030820 0.605527 0.720472 F\n0.969179 0.105527 0.779528 F\n0.030820 0.894473 0.220472 F\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Si",
"H",
"O",
"F"
],
"chemical_system": "F-H-O-Si",
"density": 1.9238552076980504,
"density_atomic": 0.11255932378776312,
"volume": 373.1365700027955,
"volume_molar": 5.350192731572449,
"formula_full": "Si2 H20 O8 F12",
"formula_reduced": "SiH10(O2F3)2",
"formula_anonymous": "AB4C6D10",
"energy_above_hull": 2.1897530616666665,
"spacegroup": 14
},
{
"id": "jvasp-102977",
"created_at": "2022-09-04T14:36:38.349774Z",
"updated_at": "2022-09-04T14:36:38.349805Z",
"structure_string": "Rb3 Mg1\n1.0\n6.059902 -0.000000 3.498686\n2.019967 5.713331 3.498686\n-0.000000 0.000000 6.997372\nRb Mg\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.750000 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.9240420398692406,
"density_atomic": 0.01651087319973933,
"volume": 242.26459446512806,
"volume_molar": 36.47378722583295,
"formula_full": "Rb3 Mg1",
"formula_reduced": "Rb3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0091499999999999,
"spacegroup": 225
},
{
"id": "jvasp-117483",
"created_at": "2022-09-04T14:38:51.325447Z",
"updated_at": "2022-09-04T14:38:51.325474Z",
"structure_string": "B2 H1\n1.0\n2.947540 0.000000 0.000000\n-1.473770 2.552645 0.000000\n-0.000000 0.000000 2.595041\nB H\n2 1\ndirect\n0.333333 0.666665 0.000000 B\n0.666667 0.333333 0.000000 B\n0.000000 0.000000 0.000000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 1.924589657533382,
"density_atomic": 0.15364799677212837,
"volume": 19.525148801316476,
"volume_molar": 3.91943981471577,
"formula_full": "B2 H1",
"formula_reduced": "B2H",
"formula_anonymous": "AB2",
"energy_above_hull": 3.6960683888888894,
"spacegroup": 191
}
]
}