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=242",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=240",
"results": [
{
"id": "jvasp-101961",
"created_at": "2022-09-04T14:36:55.041210Z",
"updated_at": "2022-09-04T14:36:55.041228Z",
"structure_string": "Cd1 H14 C9 O4\n1.0\n4.022758 0.104233 0.428257\n1.073276 4.187673 0.294830\n0.058064 -0.055964 13.365775\nCd H C O\n1 14 9 4\ndirect\n0.502744 0.972637 0.831660 Cd\n0.472249 0.936414 0.436277 H\n0.886899 0.129446 0.177975 H\n0.509300 0.141526 0.121314 H\n0.709757 0.774129 0.277757 H\n0.790246 0.409144 0.348285 H\n0.100783 0.926614 0.380521 H\n0.509527 0.386330 0.515662 H\n0.942956 0.621402 0.084856 H\n0.509255 0.715144 0.053192 H\n0.204286 0.656971 0.212390 H\n0.285215 0.290686 0.282142 H\n0.124452 0.978343 0.587253 H\n0.796543 0.787137 0.591647 H\n0.109941 0.401500 0.472504 H\n0.863690 0.335540 0.970647 C\n0.738735 0.518171 0.066670 C\n0.647231 0.292365 0.152819 C\n0.411809 0.462866 0.242338 C\n0.264636 0.552227 0.495077 C\n0.344141 0.772919 0.406886 C\n0.079483 0.739004 0.588447 C\n0.188900 0.582028 0.689277 C\n0.583048 0.602504 0.317797 C\n0.134039 0.098785 0.971659 O\n0.080197 0.754333 0.767995 O\n0.390308 0.300475 0.691644 O\n0.686958 0.414828 0.894135 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.217608793726763,
"density_atomic": 0.1252220207812807,
"volume": 223.60284417471794,
"volume_molar": 4.809170721273205,
"formula_full": "Cd1 H14 C9 O4",
"formula_reduced": "CdH14C9O4",
"formula_anonymous": "AB4C9D14",
"energy_above_hull": 4.479807633928571,
"spacegroup": 1
},
{
"id": "jvasp-38165",
"created_at": "2022-09-04T14:38:11.362617Z",
"updated_at": "2022-09-04T14:38:11.362644Z",
"structure_string": "K3 Tm1\n1.0\n5.983940 -0.000000 0.000000\n-0.000000 5.983940 -0.000000\n0.000000 -0.000000 5.983940\nK Tm\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Tm"
],
"chemical_system": "K-Tm",
"density": 2.2182025836876536,
"density_atomic": 0.018668021848342518,
"volume": 214.27015848254695,
"volume_molar": 32.259126376235145,
"formula_full": "K3 Tm1",
"formula_reduced": "K3Tm",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-120832",
"created_at": "2022-09-04T14:38:50.523055Z",
"updated_at": "2022-09-04T14:38:50.523073Z",
"structure_string": "B1 H1 N1\n1.0\n2.768089 0.000000 0.000000\n-1.384045 2.397235 -0.000000\n0.000000 -0.000000 2.913406\nB H N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.333336 0.666669 0.000000 H\n0.666668 0.333334 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"H",
"N"
],
"chemical_system": "B-H-N",
"density": 2.218239940172152,
"density_atomic": 0.1551777980772648,
"volume": 19.332662514686962,
"volume_molar": 3.880800497634015,
"formula_full": "B1 H1 N1",
"formula_reduced": "BHN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.9917986111111112,
"spacegroup": 187
},
{
"id": "jvasp-24767",
"created_at": "2022-09-04T14:38:04.816631Z",
"updated_at": "2022-09-04T14:38:04.816658Z",
"structure_string": "Li16 Si2 O12\n1.0\n2.705688 -4.686390 -0.000000\n2.705688 4.686390 -0.000000\n0.000000 0.000000 10.601726\nLi Si O\n16 2 12\ndirect\n0.000000 0.691420 0.730053 Li\n0.308580 0.000000 0.230053 Li\n0.691420 0.000000 0.730053 Li\n0.308581 0.308581 0.730053 Li\n0.604580 0.604580 0.870651 Li\n0.604580 0.000000 0.370651 Li\n0.000000 0.604580 0.370651 Li\n0.000000 0.395420 0.870651 Li\n0.000000 0.308580 0.230053 Li\n0.395421 0.395421 0.370651 Li\n0.666667 0.333333 0.588485 Li\n0.333333 0.666667 0.088484 Li\n0.666667 0.333333 0.088484 Li\n0.333333 0.666667 0.588485 Li\n0.691420 0.691420 0.230053 Li\n0.395420 0.000000 0.870651 Li\n0.000000 0.000000 0.500341 Si\n0.000000 0.000000 0.000340 Si\n0.290655 0.000000 0.047057 O\n0.290655 0.290655 0.547057 O\n0.709346 0.709346 0.047057 O\n0.333333 0.666667 0.280784 O\n0.666667 0.333333 0.280784 O\n0.709346 0.000000 0.547057 O\n0.000000 0.000000 0.341540 O\n0.000000 0.000000 0.841540 O\n0.000000 0.709346 0.547057 O\n0.000000 0.290655 0.047057 O\n0.333333 0.666667 0.780784 O\n0.666667 0.333333 0.780784 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Li",
"Si",
"O"
],
"chemical_system": "Li-O-Si",
"density": 2.218639034427667,
"density_atomic": 0.11158313015238434,
"volume": 268.85784579649516,
"volume_molar": 5.396999306056227,
"formula_full": "Li16 Si2 O12",
"formula_reduced": "Li8SiO6",
"formula_anonymous": "AB6C8",
"energy_above_hull": 1.7601679733333335,
"spacegroup": 185
},
{
"id": "jvasp-38503",
"created_at": "2022-09-04T14:37:54.130697Z",
"updated_at": "2022-09-04T14:37:54.130716Z",
"structure_string": "Na1 Al3\n1.0\n-2.154698 2.154698 4.188679\n2.154698 -2.154698 4.188679\n2.154698 2.154698 -4.188679\nNa Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750002 0.250001 0.500001 Al\n0.250001 0.750002 0.500001 Al\n0.500000 0.500000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Al"
],
"chemical_system": "Al-Na",
"density": 2.218699372555154,
"density_atomic": 0.05142213491707784,
"volume": 77.78751322655718,
"volume_molar": 11.711183850517228,
"formula_full": "Na1 Al3",
"formula_reduced": "NaAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1419343666666668,
"spacegroup": 139
},
{
"id": "jvasp-54761",
"created_at": "2022-09-04T14:36:34.689401Z",
"updated_at": "2022-09-04T14:36:34.689417Z",
"structure_string": "Na2 H2 O2\n1.0\n0.000000 3.473132 -0.057981\n3.394006 0.000000 0.000000\n0.000000 -1.534727 -5.052394\nNa H O\n2 2 2\ndirect\n0.832499 0.200890 0.694564 Na\n0.167500 0.700891 0.305436 Na\n0.544843 0.071051 0.075845 H\n0.455156 0.571051 0.924155 H\n0.652259 0.228099 0.236486 O\n0.347739 0.728100 0.763513 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"H",
"O"
],
"chemical_system": "H-Na-O",
"density": 2.2191150858471973,
"density_atomic": 0.10023591945614892,
"volume": 59.85878148825554,
"volume_molar": 6.007966797405952,
"formula_full": "Na2 H2 O2",
"formula_reduced": "NaHO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7895308333333335,
"spacegroup": 4
},
{
"id": "jvasp-115069",
"created_at": "2022-09-04T14:38:42.658298Z",
"updated_at": "2022-09-04T14:38:42.658324Z",
"structure_string": "Mg1 H2 O2\n1.0\n3.377028 0.000000 -0.000000\n-1.688514 2.924592 -0.000000\n-0.000000 0.000000 4.418551\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.968399 Mg\n0.333334 0.666666 0.020259 H\n0.666667 0.333333 0.427667 H\n0.333334 0.666666 0.796048 O\n0.666667 0.333333 0.207091 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.2191385021405767,
"density_atomic": 0.11457508366339128,
"volume": 43.639505555059756,
"volume_molar": 5.256064902987436,
"formula_full": "Mg1 H2 O2",
"formula_reduced": "Mg(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6209912099999997,
"spacegroup": 156
},
{
"id": "jvasp-59765",
"created_at": "2022-09-04T14:38:27.453679Z",
"updated_at": "2022-09-04T14:38:27.453706Z",
"structure_string": "Co2 C8 N12\n1.0\n5.761349 0.000000 0.000000\n0.000000 6.892351 0.000000\n0.000000 0.000000 7.198506\nCo C N\n2 8 12\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.746000 0.133676 0.658753 C\n0.246000 0.366324 0.841248 C\n0.746000 0.133676 0.341248 C\n0.246000 0.366324 0.158753 C\n0.754000 0.633676 0.158753 C\n0.254000 0.866324 0.341248 C\n0.254000 0.866324 0.658753 C\n0.754000 0.633676 0.841248 C\n0.800337 0.085654 0.808858 N\n0.300337 0.414346 0.691143 N\n0.699663 0.585654 0.691143 N\n0.199663 0.914346 0.808858 N\n0.199663 0.914346 0.191143 N\n0.827343 0.699385 0.000000 N\n0.300337 0.414346 0.308858 N\n0.800337 0.085654 0.191143 N\n0.327343 0.800615 0.500000 N\n0.672657 0.199385 0.500000 N\n0.699663 0.585654 0.308858 N\n0.172657 0.300615 0.000000 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Co",
"C",
"N"
],
"chemical_system": "C-Co-N",
"density": 2.219296569321697,
"density_atomic": 0.07696419649959464,
"volume": 285.84719909491776,
"volume_molar": 7.824600312733361,
"formula_full": "Co2 C8 N12",
"formula_reduced": "Co(C2N3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 6.451423672727273,
"spacegroup": 58
},
{
"id": "jvasp-92880",
"created_at": "2022-09-04T14:35:54.233528Z",
"updated_at": "2022-09-04T14:35:54.233550Z",
"structure_string": "Mg6 Cr1 B1\n1.0\n6.712266 0.469584 0.000000\n-2.949462 5.108616 0.000000\n0.000000 0.000000 4.375733\nMg Cr B\n6 1 1\ndirect\n0.619101 0.307773 0.250000 Mg\n0.619101 0.811325 0.250000 Mg\n0.303876 0.139930 0.750000 Mg\n0.303877 0.663947 0.750000 Mg\n0.850157 0.175079 0.750000 Mg\n0.875436 0.687716 0.750000 Mg\n0.146573 0.323287 0.250000 Cr\n0.281881 0.890941 0.250000 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"B"
],
"chemical_system": "B-Cr-Mg",
"density": 2.219324727861362,
"density_atomic": 0.051247207358417105,
"volume": 156.10606728380174,
"volume_molar": 11.751158883413563,
"formula_full": "Mg6 Cr1 B1",
"formula_reduced": "Mg6CrB",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6624155354166666,
"spacegroup": 38
},
{
"id": "jvasp-51719",
"created_at": "2022-09-04T14:38:12.938922Z",
"updated_at": "2022-09-04T14:38:12.938938Z",
"structure_string": "K1 P1 H2 S1 O3\n1.0\n3.069850 3.158346 -1.073918\n-3.069850 3.158346 1.073918\n-0.010184 0.000000 5.872523\nK P H S O\n1 1 2 1 3\ndirect\n0.156526 0.843475 0.392715 K\n0.654724 0.345278 0.889854 P\n0.167395 0.204020 0.807348 H\n0.795981 0.832606 0.807348 H\n0.608190 0.391811 0.206328 S\n0.896712 0.103289 0.905434 O\n0.346738 0.260431 0.724490 O\n0.739571 0.653263 0.724490 O\n",
"nsites": 8,
"nelements": 5,
"elements": [
"K",
"P",
"H",
"S",
"O"
],
"chemical_system": "H-K-O-P-S",
"density": 2.2200169032201784,
"density_atomic": 0.0702945984349764,
"volume": 113.80675298117144,
"volume_molar": 8.567003573639552,
"formula_full": "K1 P1 H2 S1 O3",
"formula_reduced": "KPH2SO3",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 2.1808355,
"spacegroup": 8
},
{
"id": "jvasp-109823",
"created_at": "2022-09-04T14:38:20.151305Z",
"updated_at": "2022-09-04T14:38:20.151318Z",
"structure_string": "Li2 V1 F6\n1.0\n5.703336 -0.000000 0.000000\n-2.851667 4.939234 0.000000\n-0.000000 -0.000000 4.747400\nLi V F\n2 1 6\ndirect\n0.333333 0.666666 0.708186 Li\n0.666667 0.333333 0.291814 Li\n0.000000 0.000000 0.000000 V\n0.154417 0.845582 0.775065 F\n0.845583 0.691166 0.224935 F\n0.308833 0.154417 0.224935 F\n0.691167 0.845582 0.775065 F\n0.154417 0.308833 0.775065 F\n0.845583 0.154417 0.224935 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.2202712456387292,
"density_atomic": 0.06729737499156531,
"volume": 133.73478536314397,
"volume_molar": 8.94855224405823,
"formula_full": "Li2 V1 F6",
"formula_reduced": "Li2VF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.306511766111111,
"spacegroup": 164
},
{
"id": "jvasp-98527",
"created_at": "2022-09-04T14:36:22.118111Z",
"updated_at": "2022-09-04T14:36:22.118136Z",
"structure_string": "C4 S4 Cl8\n1.0\n5.920358 0.000000 0.000000\n0.000000 6.290294 -0.956849\n0.000000 -0.007342 9.236641\nC S Cl\n4 4 8\ndirect\n0.413824 0.670629 0.549963 C\n0.586176 0.329370 0.450037 C\n0.913824 0.329371 0.950037 C\n0.086176 0.670629 0.049963 C\n0.566397 0.582560 0.379171 S\n0.433603 0.417440 0.620829 S\n0.933603 0.582560 0.879171 S\n0.066397 0.417440 0.120829 S\n0.947971 0.884423 0.166595 Cl\n0.630010 0.247125 0.978297 Cl\n0.052029 0.115576 0.833405 Cl\n0.130010 0.752874 0.521703 Cl\n0.447971 0.115576 0.333405 Cl\n0.869991 0.247125 0.478297 Cl\n0.369990 0.752874 0.021703 Cl\n0.552029 0.884424 0.666595 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"C",
"S",
"Cl"
],
"chemical_system": "C-Cl-S",
"density": 2.22053361309945,
"density_atomic": 0.04651998008384803,
"volume": 343.93823839050356,
"volume_molar": 12.945278027087802,
"formula_full": "C4 S4 Cl8",
"formula_reduced": "CSCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.04968453375,
"spacegroup": 14
}
]
}