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=111",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=109",
"results": [
{
"id": "jvasp-121185",
"created_at": "2022-09-04T14:38:52.889802Z",
"updated_at": "2022-09-04T14:38:52.889819Z",
"structure_string": "Li2 S1\n1.0\n3.824007 1.145064 -0.487852\n-0.993856 -3.880509 -0.341459\n0.689596 -3.988885 -3.992528\nLi S\n2 1\ndirect\n0.682911 0.224375 0.255581 Li\n0.682970 0.224126 0.755635 Li\n0.182953 0.224230 0.005629 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"S"
],
"chemical_system": "Li-S",
"density": 1.6591924199246462,
"density_atomic": 0.06523966942889133,
"volume": 45.98429186202242,
"volume_molar": 9.23079594473405,
"formula_full": "Li2 S1",
"formula_reduced": "Li2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4638300000000001,
"spacegroup": 225
},
{
"id": "jvasp-74507",
"created_at": "2022-09-04T14:35:41.875282Z",
"updated_at": "2022-09-04T14:35:41.875302Z",
"structure_string": "Li1 Mg1 Be2\n1.0\n-2.057878 2.057878 2.910246\n2.057878 -2.057878 2.910246\n2.057878 2.057878 -2.910246\nLi Mg Be\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Li\n0.750001 0.250000 0.500001 Mg\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Be"
],
"chemical_system": "Be-Li-Mg",
"density": 1.6596095577815817,
"density_atomic": 0.0811392614599388,
"volume": 49.29795918804284,
"volume_molar": 7.421981235278233,
"formula_full": "Li1 Mg1 Be2",
"formula_reduced": "LiMgBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9284653125,
"spacegroup": 216
},
{
"id": "jvasp-80193",
"created_at": "2022-09-04T14:37:17.508090Z",
"updated_at": "2022-09-04T14:37:17.508103Z",
"structure_string": "Ca2 Mg1 Al1\n1.0\n-16.604613 1.737177 -6.749324\n-10.056560 0.122917 -1.258528\n-8.801888 3.671910 -3.431803\nCa Mg Al\n2 1 1\ndirect\n0.488856 0.174131 0.174132 Ca\n0.511143 0.825869 0.825871 Ca\n0.000000 0.000000 0.000000 Mg\n0.499999 0.000000 0.000001 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Al"
],
"chemical_system": "Al-Ca-Mg",
"density": 1.6599461408648282,
"density_atomic": 0.03042068244948317,
"volume": 131.48948931840803,
"volume_molar": 19.796205328399243,
"formula_full": "Ca2 Mg1 Al1",
"formula_reduced": "Ca2MgAl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0034956725,
"spacegroup": 71
},
{
"id": "jvasp-104132",
"created_at": "2022-09-04T14:36:57.659131Z",
"updated_at": "2022-09-04T14:36:57.659161Z",
"structure_string": "H10 C10 S2 N2 O2\n1.0\n3.784185 -0.024744 0.020346\n1.344070 6.869424 2.058200\n-0.083174 -0.095655 9.742997\nH C S N O\n10 10 2 2 2\ndirect\n0.679983 0.206358 0.782035 H\n0.679952 0.706370 0.282033 H\n0.362029 0.648543 0.558886 H\n0.362047 0.148546 0.058889 H\n0.295075 0.924794 0.686558 H\n0.295071 0.424800 0.186559 H\n0.572264 0.313792 0.560737 H\n0.572244 0.813787 0.060734 H\n0.129817 0.079026 0.830730 H\n0.129781 0.579029 0.330727 H\n0.961289 0.223782 0.789809 C\n0.961262 0.723787 0.289806 C\n0.015375 0.346534 0.883514 C\n0.015360 0.846537 0.383512 C\n0.940237 0.608509 0.006151 C\n0.204981 0.793134 0.513113 C\n0.204992 0.293135 0.013115 C\n0.163458 0.441635 0.083739 C\n0.163459 0.941633 0.583738 C\n0.940243 0.108510 0.506152 C\n0.796232 0.086978 0.342709 S\n0.796236 0.586973 0.842708 S\n0.835103 0.291074 0.531670 N\n0.835084 0.791074 0.031668 N\n0.054511 0.320102 0.643047 O\n0.054486 0.820107 0.143044 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"H",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-H-N-O-S",
"density": 1.6603786663865274,
"density_atomic": 0.10222007482868277,
"volume": 254.35316931214422,
"volume_molar": 5.891348416730172,
"formula_full": "H10 C10 S2 N2 O2",
"formula_reduced": "H5C5SNO",
"formula_anonymous": "ABCD5E5",
"energy_above_hull": 4.964055903846154,
"spacegroup": 1
},
{
"id": "jvasp-31839",
"created_at": "2022-09-04T14:38:01.091363Z",
"updated_at": "2022-09-04T14:38:01.091391Z",
"structure_string": "Co1 C4 O4\n1.0\n5.550234 -0.000000 -0.000000\n-0.000000 5.550234 -0.000000\n-0.000000 -0.000000 5.550234\nCo C O\n1 4 4\ndirect\n0.500000 0.500000 0.500000 Co\n0.311258 0.688741 0.688741 C\n0.311258 0.311258 0.311258 C\n0.688741 0.311258 0.688741 C\n0.688741 0.688741 0.311258 C\n0.191208 0.191208 0.191208 O\n0.191208 0.808791 0.808791 O\n0.808791 0.191208 0.808791 O\n0.808791 0.808791 0.191208 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"C",
"O"
],
"chemical_system": "C-Co-O",
"density": 1.6605205720831688,
"density_atomic": 0.052639121035471505,
"volume": 170.97549926670018,
"volume_molar": 11.440428034392728,
"formula_full": "Co1 C4 O4",
"formula_reduced": "Co(CO)4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 4.812241655555555,
"spacegroup": 215
},
{
"id": "jvasp-100212",
"created_at": "2022-09-04T14:36:19.683395Z",
"updated_at": "2022-09-04T14:36:19.683422Z",
"structure_string": "Na3 Si1\n1.0\n4.467222 -0.000000 2.579153\n1.489074 4.211738 2.579153\n-0.000000 -0.000000 5.158304\nNa Si\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.749999 0.750000 0.749999 Na\n0.499999 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Si"
],
"chemical_system": "Na-Si",
"density": 1.6605820367438882,
"density_atomic": 0.04121489288296164,
"volume": 97.05229639584026,
"volume_molar": 14.611564749424769,
"formula_full": "Na3 Si1",
"formula_reduced": "Na3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2752913999999999,
"spacegroup": 225
},
{
"id": "jvasp-78496",
"created_at": "2022-09-04T14:36:33.538893Z",
"updated_at": "2022-09-04T14:36:33.538914Z",
"structure_string": "Li2 N1\n1.0\n-2.406912 -2.406912 -0.000000\n-2.406912 -0.000000 -2.406912\n0.000000 -2.406912 -2.406912\nLi N\n2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"N"
],
"chemical_system": "Li-N",
"density": 1.6606065091135314,
"density_atomic": 0.10757481863596907,
"volume": 27.88756735116549,
"volume_molar": 5.598095201423297,
"formula_full": "Li2 N1",
"formula_reduced": "Li2N",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8530944166666663,
"spacegroup": 225
},
{
"id": "jvasp-22706",
"created_at": "2022-09-04T14:36:16.858721Z",
"updated_at": "2022-09-04T14:36:16.858750Z",
"structure_string": "Li3 V1 S4\n1.0\n5.848101 -0.000000 -0.000000\n0.000000 5.848101 -0.000000\n0.000000 -0.000000 5.848101\nLi V S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 V\n0.213480 0.213480 0.213480 S\n0.213480 0.786520 0.786520 S\n0.786520 0.213480 0.786520 S\n0.786520 0.786520 0.213480 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"V",
"S"
],
"chemical_system": "Li-S-V",
"density": 1.6606866611488968,
"density_atomic": 0.0399986555052973,
"volume": 200.00672269947935,
"volume_molar": 15.0558579630319,
"formula_full": "Li3 V1 S4",
"formula_reduced": "Li3VS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.892073025,
"spacegroup": 215
},
{
"id": "jvasp-118460",
"created_at": "2022-09-04T14:38:52.269577Z",
"updated_at": "2022-09-04T14:38:52.269603Z",
"structure_string": "Li1 H2 N1\n1.0\n2.621047 0.000000 0.000000\n0.000000 2.621047 0.000000\n0.000000 -0.000000 3.341543\nLi H N\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.500000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"H",
"N"
],
"chemical_system": "H-Li-N",
"density": 1.6610856295556489,
"density_atomic": 0.17424620166462296,
"volume": 22.95602407275955,
"volume_molar": 3.4561102064026628,
"formula_full": "Li1 H2 N1",
"formula_reduced": "LiH2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7398183125,
"spacegroup": 123
},
{
"id": "jvasp-112092",
"created_at": "2022-09-04T14:38:41.459658Z",
"updated_at": "2022-09-04T14:38:41.459686Z",
"structure_string": "H8 C10 S2 O4\n1.0\n5.568839 -0.126971 -0.590730\n-2.333265 5.970777 -2.133712\n-0.103980 -0.020082 7.792791\nH C S O\n8 10 2 4\ndirect\n0.885622 0.992136 0.888123 H\n0.885837 0.992034 0.388142 H\n0.334009 0.053402 0.395198 H\n0.333859 0.053376 0.895213 H\n0.794951 0.381953 0.593759 H\n0.794847 0.381855 0.093776 H\n0.617578 0.969851 0.715672 H\n0.617664 0.969731 0.215793 H\n0.823344 0.993480 0.249749 C\n0.823242 0.993570 0.749703 C\n0.222404 0.311578 0.844341 C\n0.222426 0.311555 0.344351 C\n0.650656 0.615095 0.028477 C\n0.635773 0.407469 0.022273 C\n0.635836 0.407530 0.522267 C\n0.388204 0.230755 0.915302 C\n0.388291 0.230777 0.415295 C\n0.650637 0.615145 0.528495 C\n0.357842 0.602607 0.404375 S\n0.357909 0.602622 0.904351 S\n0.968931 0.201820 0.239433 O\n0.864779 0.815124 0.610331 O\n0.864828 0.815055 0.110309 O\n0.968919 0.201890 0.739397 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6615465209058262,
"density_atomic": 0.09369776444688133,
"volume": 256.14271740288916,
"volume_molar": 6.42719791187125,
"formula_full": "H8 C10 S2 O4",
"formula_reduced": "H4C5SO2",
"formula_anonymous": "AB2C4D5",
"energy_above_hull": 4.7839055833333335,
"spacegroup": 1
},
{
"id": "jvasp-90218",
"created_at": "2022-09-04T14:36:09.520776Z",
"updated_at": "2022-09-04T14:36:09.520889Z",
"structure_string": "Mg1 N8\n1.0\n-3.040497 -3.040497 3.683255\n-3.040497 3.040497 -3.683255\n3.040497 -3.040497 -3.683255\nMg N\n1 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 N\n0.500000 -0.000000 0.500000 N\n0.764138 0.096019 0.668119 N\n0.235863 0.903982 0.331882 N\n0.572100 0.668119 0.903982 N\n0.427901 0.331882 0.096019 N\n0.000000 0.690518 0.690518 N\n0.000000 0.309483 0.309483 N\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Mg",
"N"
],
"chemical_system": "Mg-N",
"density": 1.6624580461448866,
"density_atomic": 0.06607871251571208,
"volume": 136.20120092170373,
"volume_molar": 9.113586707017129,
"formula_full": "Mg1 N8",
"formula_reduced": "MgN8",
"formula_anonymous": "AB8",
"energy_above_hull": 5.44167056111111,
"spacegroup": 87
},
{
"id": "jvasp-104115",
"created_at": "2022-09-04T14:36:50.417310Z",
"updated_at": "2022-09-04T14:36:50.417335Z",
"structure_string": "H8 C15 S3\n1.0\n3.888695 0.008774 0.648028\n1.930749 6.108819 0.308471\n0.100997 0.024903 11.983899\nH C S\n8 15 3\ndirect\n0.654440 0.152985 0.548249 H\n0.127851 0.856438 0.229818 H\n0.534981 0.765094 0.874971 H\n0.566872 0.765293 0.041943 H\n0.882537 0.856223 0.687064 H\n0.699376 0.860570 0.367711 H\n0.306606 0.860530 0.549154 H\n0.060234 0.153038 0.368587 H\n0.892604 0.309128 0.407324 C\n0.665679 0.309102 0.509514 C\n0.913387 0.506666 0.353269 C\n0.447064 0.506614 0.563579 C\n0.694091 0.704484 0.407411 C\n0.468217 0.704459 0.509446 C\n0.778691 0.310117 0.958441 C\n0.553506 0.425394 0.057785 C\n0.146578 0.511127 0.246092 C\n0.209470 0.511037 0.670765 C\n0.762261 0.644032 0.827192 C\n0.229162 0.692503 0.193804 C\n0.945382 0.692346 0.723075 C\n0.460763 0.644173 0.089704 C\n0.888514 0.425336 0.859098 C\n0.363462 0.277270 0.163887 S\n0.916230 0.035208 0.958433 S\n0.226718 0.277241 0.752964 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.6625192615161302,
"density_atomic": 0.09152343268940087,
"volume": 284.0802539414696,
"volume_molar": 6.579889524507981,
"formula_full": "H8 C15 S3",
"formula_reduced": "H8(C5S)3",
"formula_anonymous": "A3B8C15",
"energy_above_hull": 5.750107307692306,
"spacegroup": 5
}
]
}