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=281",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=279",
"results": [
{
"id": "jvasp-96870",
"created_at": "2022-09-04T14:35:53.925279Z",
"updated_at": "2022-09-04T14:35:53.925305Z",
"structure_string": "Li12 B20 H8 O40\n1.0\n6.834814 0.000000 0.000000\n-0.000000 6.834814 0.000000\n-0.000000 0.000000 14.543293\nLi B H O\n12 20 8 40\ndirect\n0.639040 0.348858 0.342837 Li\n0.305901 0.305901 0.000000 Li\n0.194099 0.805900 0.250000 Li\n0.805900 0.194099 0.750000 Li\n0.139040 0.151142 0.407163 Li\n0.860959 0.848858 0.907163 Li\n0.694099 0.694099 0.500000 Li\n0.651142 0.360959 0.157163 Li\n0.151142 0.139040 0.592837 Li\n0.848858 0.860959 0.092837 Li\n0.360959 0.651142 0.842837 Li\n0.348858 0.639040 0.657163 Li\n0.251775 0.008218 0.894542 B\n0.561886 0.561886 0.000000 B\n0.438113 0.438113 0.500000 B\n0.938113 0.061887 0.250000 B\n0.061887 0.938113 0.750000 B\n0.008218 0.251775 0.105457 B\n0.991781 0.748224 0.605457 B\n0.248225 0.508218 0.355457 B\n0.751775 0.491781 0.855457 B\n0.748224 0.991781 0.394542 B\n0.241443 0.751482 0.476798 B\n0.508218 0.248225 0.644542 B\n0.251482 0.258557 0.226798 B\n0.748517 0.741442 0.726798 B\n0.758557 0.248518 0.976798 B\n0.258557 0.251482 0.773202 B\n0.741442 0.748517 0.273202 B\n0.248518 0.758557 0.023202 B\n0.751482 0.241443 0.523202 B\n0.491781 0.751775 0.144542 B\n0.505290 0.911072 0.736896 H\n0.588928 0.005290 0.986896 H\n0.494709 0.088928 0.236896 H\n0.411072 0.994709 0.486896 H\n0.005290 0.588928 0.013104 H\n0.088928 0.494709 0.763104 H\n0.911072 0.505290 0.263104 H\n0.994709 0.411072 0.513104 H\n0.730372 0.035836 0.988175 O\n0.269627 0.964164 0.488175 O\n0.535836 0.769627 0.738175 O\n0.464164 0.230372 0.238175 O\n0.824317 0.125671 0.332627 O\n0.175682 0.874328 0.832627 O\n0.625671 0.675682 0.082628 O\n0.374328 0.324317 0.582627 O\n0.125671 0.824317 0.667372 O\n0.675682 0.625671 0.917372 O\n0.324317 0.374328 0.417372 O\n0.700524 0.224334 0.621892 O\n0.299475 0.775666 0.121892 O\n0.724334 0.799475 0.371892 O\n0.275666 0.200524 0.871892 O\n0.775666 0.299475 0.878107 O\n0.224334 0.700524 0.378107 O\n0.874328 0.175682 0.167372 O\n0.230372 0.464164 0.761824 O\n0.035836 0.730372 0.011824 O\n0.964164 0.269627 0.511824 O\n0.799475 0.724334 0.628107 O\n0.646378 0.405193 0.480156 O\n0.353621 0.594806 0.980156 O\n0.905193 0.853621 0.230156 O\n0.094807 0.146379 0.730156 O\n0.594806 0.353621 0.019844 O\n0.405193 0.646378 0.519844 O\n0.853621 0.905193 0.769844 O\n0.146379 0.094807 0.269844 O\n0.693452 0.049700 0.480947 O\n0.306547 0.950299 0.980947 O\n0.549700 0.806547 0.230947 O\n0.450299 0.193453 0.730947 O\n0.950299 0.306547 0.019053 O\n0.049700 0.693452 0.519053 O\n0.806547 0.549700 0.769053 O\n0.193453 0.450299 0.269053 O\n0.769627 0.535836 0.261824 O\n0.200524 0.275666 0.128108 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"B",
"H",
"O"
],
"chemical_system": "B-H-Li-O",
"density": 2.315985177651381,
"density_atomic": 0.11775350214379963,
"volume": 679.3853137574171,
"volume_molar": 5.114192487154912,
"formula_full": "Li12 B20 H8 O40",
"formula_reduced": "Li3B5(HO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 3.2785368958333336,
"spacegroup": 92
},
{
"id": "jvasp-117616",
"created_at": "2022-09-04T14:38:53.504172Z",
"updated_at": "2022-09-04T14:38:53.504197Z",
"structure_string": "Ba1 Zn1 O1\n1.0\n4.581985 -0.000000 0.000000\n0.000000 4.581985 -0.000000\n0.000000 -0.000000 7.470059\nBa Zn O\n1 1 1\ndirect\n0.000000 0.000000 0.295452 Ba\n0.000000 0.000000 0.753504 Zn\n0.000000 0.000000 -0.000572 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"O"
],
"chemical_system": "Ba-O-Zn",
"density": 2.315990715045783,
"density_atomic": 0.019128895582990156,
"volume": 156.83080013608665,
"volume_molar": 31.4819051307647,
"formula_full": "Ba1 Zn1 O1",
"formula_reduced": "BaZnO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-118690",
"created_at": "2022-09-04T14:38:52.813969Z",
"updated_at": "2022-09-04T14:38:52.813995Z",
"structure_string": "Mg2 Cl2\n1.0\n3.265189 0.000000 0.000000\n0.000000 3.265189 0.000000\n-0.000000 0.000000 8.036400\nMg Cl\n2 2\ndirect\n0.000000 0.000000 0.844736 Mg\n0.500000 0.500000 0.155264 Mg\n0.000000 0.000000 0.322086 Cl\n0.500000 0.500000 0.677914 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 2.316311442568233,
"density_atomic": 0.04668547660887273,
"volume": 85.67975076085625,
"volume_molar": 12.899387984089838,
"formula_full": "Mg2 Cl2",
"formula_reduced": "MgCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.07895,
"spacegroup": 129
},
{
"id": "jvasp-109424",
"created_at": "2022-09-04T14:37:55.257510Z",
"updated_at": "2022-09-04T14:37:55.257542Z",
"structure_string": "Li2 V2 F6\n1.0\n5.704389 -0.000000 0.000000\n-2.852195 4.940146 0.000000\n-0.000000 -0.000000 5.844696\nLi V F\n2 2 6\ndirect\n0.666667 0.333334 0.750000 Li\n0.333334 0.666667 0.250000 Li\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.303741 0.151870 0.750000 F\n0.848131 0.696260 0.750000 F\n0.151871 0.848130 0.250000 F\n0.848130 0.151870 0.750000 F\n0.151871 0.303741 0.250000 F\n0.696261 0.848130 0.250000 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.316349116815579,
"density_atomic": 0.06071404315143879,
"volume": 164.7065403807327,
"volume_molar": 9.918859702653963,
"formula_full": "Li2 V2 F6",
"formula_reduced": "LiVF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4411030095,
"spacegroup": 194
},
{
"id": "jvasp-67074",
"created_at": "2022-09-04T14:36:10.969942Z",
"updated_at": "2022-09-04T14:36:10.969960Z",
"structure_string": "Ca1 Sc1 Be1\n1.0\n-1.664360 1.664360 6.084100\n1.664360 -1.664360 6.084100\n1.664360 1.664360 -6.084100\nCa Sc Be\n1 1 1\ndirect\n0.358166 0.358166 0.000000 Ca\n0.624732 0.624732 0.000000 Sc\n0.017102 0.017102 0.000000 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"Be"
],
"chemical_system": "Be-Ca-Sc",
"density": 2.3165356378517874,
"density_atomic": 0.04450106250511854,
"volume": 67.41412072250945,
"volume_molar": 13.532577473419494,
"formula_full": "Ca1 Sc1 Be1",
"formula_reduced": "CaScBe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.233807256666667,
"spacegroup": 107
},
{
"id": "jvasp-114064",
"created_at": "2022-09-04T14:38:48.132362Z",
"updated_at": "2022-09-04T14:38:48.132384Z",
"structure_string": "Al2 Cl1\n1.0\n5.007071 0.000000 -0.000000\n-2.503536 4.336251 -0.000000\n-0.000000 0.000000 2.951675\nAl Cl\n2 1\ndirect\n0.333333 0.666666 0.000000 Al\n0.666666 0.333333 0.000000 Al\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"Cl"
],
"chemical_system": "Al-Cl",
"density": 2.316850499108807,
"density_atomic": 0.04681171529966584,
"volume": 64.08652152127857,
"volume_molar": 12.86460178066363,
"formula_full": "Al2 Cl1",
"formula_reduced": "Al2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0176398891666667,
"spacegroup": 191
},
{
"id": "jvasp-110229",
"created_at": "2022-09-04T14:37:51.183004Z",
"updated_at": "2022-09-04T14:37:51.183025Z",
"structure_string": "K2 P2 O6\n1.0\n7.129425 -0.283209 2.398427\n5.088028 5.002087 2.398427\n0.147274 0.056883 4.618680\nK P O\n2 2 6\ndirect\n0.888480 0.888481 0.351996 K\n0.111519 0.111519 0.648006 K\n0.378613 0.378613 0.762856 P\n0.621386 0.621387 0.237146 P\n0.645037 0.185576 0.840619 O\n0.814423 0.354963 0.159383 O\n0.354963 0.814424 0.159383 O\n0.185576 0.645037 0.840619 O\n0.309511 0.309511 0.582284 O\n0.690488 0.690489 0.417718 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"P",
"O"
],
"chemical_system": "K-O-P",
"density": 2.317204655417143,
"density_atomic": 0.059094188380270224,
"volume": 169.22137817766696,
"volume_molar": 10.190749589871025,
"formula_full": "K2 P2 O6",
"formula_reduced": "KPO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5484487999999998,
"spacegroup": 12
},
{
"id": "jvasp-4298",
"created_at": "2022-09-04T14:35:57.684153Z",
"updated_at": "2022-09-04T14:35:57.684180Z",
"structure_string": "S4 N4\n1.0\n0.000000 4.406030 -0.010905\n3.763900 0.000000 0.000000\n0.000000 -2.307305 -7.956811\nS N\n4 4\ndirect\n0.206328 0.626459 0.607560 S\n0.793670 0.126459 0.892439 S\n0.793671 0.373541 0.392439 S\n0.206328 0.873541 0.107560 S\n0.822765 0.554941 0.577512 N\n0.177233 0.054941 0.922487 N\n0.177234 0.445059 0.422487 N\n0.822765 0.945059 0.077512 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"S",
"N"
],
"chemical_system": "N-S",
"density": 2.3174329386809536,
"density_atomic": 0.06058342697760237,
"volume": 132.0493144595071,
"volume_molar": 9.940244486708186,
"formula_full": "S4 N4",
"formula_reduced": "SN",
"formula_anonymous": "AB",
"energy_above_hull": 2.6783966249999995,
"spacegroup": 14
},
{
"id": "jvasp-38035",
"created_at": "2022-09-04T14:37:58.872736Z",
"updated_at": "2022-09-04T14:37:58.872757Z",
"structure_string": "Ca6 Al2 N1 F1\n1.0\n-0.000006 4.895014 4.895023\n4.895002 -0.000001 4.895018\n4.895008 4.895014 -0.000007\nCa Al N F\n6 2 1 1\ndirect\n0.241342 0.758658 0.758659 Ca\n0.241341 0.758659 0.241341 Ca\n0.758658 0.241341 0.758659 Ca\n0.758658 0.758658 0.241340 Ca\n0.241340 0.241341 0.758659 Ca\n0.758658 0.241341 0.241340 Ca\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.749999 Al\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Al",
"N",
"F"
],
"chemical_system": "Al-Ca-F-N",
"density": 2.3178405334626593,
"density_atomic": 0.042629259660669244,
"volume": 234.58066313138988,
"volume_molar": 14.126777729513725,
"formula_full": "Ca6 Al2 N1 F1",
"formula_reduced": "Ca6Al2NF",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.5833241652500001,
"spacegroup": 225
},
{
"id": "jvasp-114649",
"created_at": "2022-09-04T14:38:42.082992Z",
"updated_at": "2022-09-04T14:38:42.083010Z",
"structure_string": "Be1 Si1 P1\n1.0\n5.125756 -0.000563 0.000000\n0.015554 3.413293 0.000000\n0.000000 0.000000 2.787213\nBe Si P\n1 1 1\ndirect\n0.376910 -0.082671 0.000000 Be\n-0.194031 -0.079731 0.000000 Si\n0.128969 0.418942 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Si",
"P"
],
"chemical_system": "Be-P-Si",
"density": 2.3179933500676735,
"density_atomic": 0.06152043244304696,
"volume": 48.764286609611766,
"volume_molar": 9.788846600802174,
"formula_full": "Be1 Si1 P1",
"formula_reduced": "BeSiP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4759334,
"spacegroup": 25
},
{
"id": "jvasp-112106",
"created_at": "2022-09-04T14:38:44.146051Z",
"updated_at": "2022-09-04T14:38:44.146071Z",
"structure_string": "Sn1 H10 C6 O6\n1.0\n4.630112 0.072551 -0.797973\n-1.251454 6.412514 -0.928916\n0.157777 0.161288 7.084569\nSn H C O\n1 10 6 6\ndirect\n0.174252 0.698058 0.270444 Sn\n0.967608 0.098589 0.035589 H\n0.919428 0.912992 0.827751 H\n0.380870 0.297536 0.505284 H\n0.429063 0.483119 0.713132 H\n0.927685 0.381307 0.822189 H\n0.866065 0.197479 0.611832 H\n0.419618 0.453996 0.096865 H\n0.482404 0.198626 0.929021 H\n0.928857 0.942093 0.444022 H\n0.420804 0.014788 0.718673 H\n0.799326 0.994123 0.926588 C\n0.549159 0.401993 0.614287 C\n0.755630 0.276704 0.717982 C\n0.651541 0.838944 0.033944 C\n0.696948 0.557179 0.506939 C\n0.592850 0.119398 0.822880 C\n0.939220 0.526717 0.456802 O\n0.115096 0.970314 0.397192 O\n0.233384 0.425796 0.143702 O\n0.409260 0.869402 0.084069 O\n0.766040 0.679090 0.073204 O\n0.582456 0.717045 0.467697 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.318145628461342,
"density_atomic": 0.10816391560610943,
"volume": 212.64023099678624,
"volume_molar": 5.567606096963312,
"formula_full": "Sn1 H10 C6 O6",
"formula_reduced": "SnH10(CO)6",
"formula_anonymous": "AB6C6D10",
"energy_above_hull": 4.222874899999999,
"spacegroup": 2
},
{
"id": "jvasp-117487",
"created_at": "2022-09-04T14:38:51.313793Z",
"updated_at": "2022-09-04T14:38:51.313813Z",
"structure_string": "B3 H1\n1.0\n3.199502 0.150877 0.597437\n0.136626 -3.231658 0.416133\n-0.858385 -1.684289 -2.273749\nB H\n3 1\ndirect\n0.041819 0.047478 -0.011708 B\n0.532499 0.556809 0.478915 B\n0.129282 0.644244 0.733606 B\n0.591017 0.105850 0.732897 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 2.3185247610379554,
"density_atomic": 0.16701064588903383,
"volume": 23.95056901137729,
"volume_molar": 3.605842446715202,
"formula_full": "B3 H1",
"formula_reduced": "B3H",
"formula_anonymous": "AB3",
"energy_above_hull": 4.085479437500001,
"spacegroup": 44
}
]
}