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=1185",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=1183",
"results": [
{
"id": "jvasp-115477",
"created_at": "2022-09-04T14:38:48.526185Z",
"updated_at": "2022-09-04T14:38:48.526211Z",
"structure_string": "B2 Br2 N2\n1.0\n2.648200 0.000000 0.000000\n0.000000 3.094928 0.000000\n0.000000 0.000000 10.611844\nB Br N\n2 2 2\ndirect\n0.500001 0.000000 0.012732 B\n0.000000 0.500001 0.987268 B\n0.500001 0.500001 0.657733 Br\n0.000000 0.000000 0.342266 Br\n0.500001 0.500001 0.061734 N\n0.000000 0.000000 0.938265 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"Br",
"N"
],
"chemical_system": "B-Br-N",
"density": 3.9987438810877327,
"density_atomic": 0.06898569787375752,
"volume": 86.97454957953579,
"volume_molar": 8.729549668426056,
"formula_full": "B2 Br2 N2",
"formula_reduced": "BBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.798143312777777,
"spacegroup": 59
},
{
"id": "jvasp-114611",
"created_at": "2022-09-04T14:38:42.216648Z",
"updated_at": "2022-09-04T14:38:42.216670Z",
"structure_string": "Ca1 Ag1 Sb1\n1.0\n5.181617 0.000000 -0.000000\n-2.590808 4.487412 0.000000\n-0.000000 0.000000 4.816581\nCa Ag Sb\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Ca\n0.000000 0.000000 0.000000 Ag\n0.666666 0.333333 0.000000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"Sb"
],
"chemical_system": "Ag-Ca-Sb",
"density": 3.998894121918045,
"density_atomic": 0.0267868183543974,
"volume": 111.9953837110898,
"volume_molar": 22.481732172613132,
"formula_full": "Ca1 Ag1 Sb1",
"formula_reduced": "CaAgSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2326512600000001,
"spacegroup": 187
},
{
"id": "jvasp-29800",
"created_at": "2022-09-04T14:37:28.048291Z",
"updated_at": "2022-09-04T14:37:28.048320Z",
"structure_string": "Zn1 H2 O2\n1.0\n3.224840 -0.000621 -0.001232\n-1.612957 2.793724 0.000000\n-0.000505 -0.000292 4.583025\nZn H O\n1 2 2\ndirect\n-0.000000 0.072095 -0.000000 Zn\n0.666434 0.405246 0.558795 H\n0.333563 0.738810 0.441207 H\n0.666510 0.405344 0.772137 O\n0.333487 0.738831 0.227864 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"H",
"O"
],
"chemical_system": "H-O-Zn",
"density": 3.9989257983549544,
"density_atomic": 0.12110844244958126,
"volume": 41.285313384172646,
"volume_molar": 4.972519370403993,
"formula_full": "Zn1 H2 O2",
"formula_reduced": "Zn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5475954799999996,
"spacegroup": 164
},
{
"id": "jvasp-98197",
"created_at": "2022-09-04T14:36:14.416064Z",
"updated_at": "2022-09-04T14:36:14.416097Z",
"structure_string": "Ba12 Si16\n1.0\n8.566178 0.000000 0.000000\n0.000000 8.566178 0.000000\n0.000000 0.000000 11.868058\nBa Si\n12 16\ndirect\n0.334911 0.334911 0.000000 Ba\n0.834911 0.165090 0.500000 Ba\n0.665090 0.665090 0.000000 Ba\n0.000000 0.000000 0.169496 Ba\n0.500000 0.500000 0.669496 Ba\n0.500000 0.500000 0.330504 Ba\n0.000000 0.000000 0.830504 Ba\n0.000000 0.500000 0.250000 Ba\n0.000000 0.500000 0.750000 Ba\n0.500000 0.000000 0.250000 Ba\n0.500000 0.000000 0.750000 Ba\n0.165090 0.834911 0.500000 Ba\n0.401190 0.199111 0.500000 Si\n0.800889 0.598810 0.500000 Si\n0.799911 0.799911 0.646113 Si\n0.598810 0.800889 0.500000 Si\n0.098810 0.699111 0.000000 Si\n0.300889 0.901190 0.000000 Si\n0.699111 0.098810 0.000000 Si\n0.200089 0.200089 0.353887 Si\n0.299911 0.700090 0.853887 Si\n0.700090 0.299911 0.853887 Si\n0.700090 0.299911 0.146113 Si\n0.299911 0.700090 0.146113 Si\n0.799911 0.799911 0.353887 Si\n0.200089 0.200089 0.646113 Si\n0.901190 0.300889 0.000000 Si\n0.199111 0.401190 0.500000 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Ba",
"Si"
],
"chemical_system": "Ba-Si",
"density": 3.999025271108036,
"density_atomic": 0.03215171786401236,
"volume": 870.8710408080744,
"volume_molar": 18.73038568412117,
"formula_full": "Ba12 Si16",
"formula_reduced": "Ba3Si4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.8548331871428565,
"spacegroup": 136
},
{
"id": "jvasp-12126",
"created_at": "2022-09-04T14:36:44.763732Z",
"updated_at": "2022-09-04T14:36:44.763757Z",
"structure_string": "Nb4 S12\n1.0\n4.981438 0.001006 -0.613289\n0.001798 6.819227 0.004199\n0.023192 0.006106 9.243043\nNb S\n4 12\ndirect\n0.281997 0.148389 0.646577 Nb\n0.284961 0.598135 0.655892 Nb\n0.718004 0.851612 0.353423 Nb\n0.715039 0.401867 0.344108 Nb\n0.466409 0.633188 0.162367 S\n0.240473 0.866208 0.456199 S\n0.235540 0.385471 0.436842 S\n0.764461 0.614531 0.563158 S\n0.130883 0.367610 0.845000 S\n0.759527 0.133794 0.543801 S\n0.477680 0.122798 0.186159 S\n0.522320 0.877204 0.813841 S\n0.533592 0.366814 0.837633 S\n0.869118 0.632391 0.154999 S\n0.880884 0.123457 0.184243 S\n0.119117 0.876545 0.815756 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Nb",
"S"
],
"chemical_system": "Nb-S",
"density": 3.999125264802522,
"density_atomic": 0.05094261135447184,
"volume": 314.0789130079703,
"volume_molar": 11.821421399261201,
"formula_full": "Nb4 S12",
"formula_reduced": "NbS3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5752773500000004,
"spacegroup": 2
},
{
"id": "jvasp-105625",
"created_at": "2022-09-04T14:35:40.941063Z",
"updated_at": "2022-09-04T14:35:40.941082Z",
"structure_string": "K2 Na1 Mo1 I6\n1.0\n7.150470 0.000000 4.128326\n2.383490 6.741529 4.128326\n-0.000000 -0.000000 8.256652\nK Na Mo I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mo\n0.760600 0.239400 0.239400 I\n0.239400 0.239400 0.760600 I\n0.239400 0.760600 0.760600 I\n0.239400 0.760600 0.239400 I\n0.760600 0.239400 0.760600 I\n0.760600 0.760600 0.239400 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Mo",
"I"
],
"chemical_system": "I-K-Mo-Na",
"density": 3.9991559270863273,
"density_atomic": 0.02512482373619222,
"volume": 398.0127424971756,
"volume_molar": 23.968887595916257,
"formula_full": "K2 Na1 Mo1 I6",
"formula_reduced": "K2NaMoI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0930578549999999,
"spacegroup": 225
},
{
"id": "jvasp-119618",
"created_at": "2022-09-04T14:38:49.635180Z",
"updated_at": "2022-09-04T14:38:49.635215Z",
"structure_string": "Y6 Al2 Co2 S14\n1.0\n9.483681 -0.000000 0.000000\n-4.741839 8.213109 0.000000\n-0.000000 -0.000000 6.152691\nY Al Co S\n6 2 2 14\ndirect\n0.783283 0.158202 0.225140 Y\n0.374919 0.216717 0.225140 Y\n0.841798 0.625081 0.225140 Y\n0.216717 0.841798 0.725140 Y\n0.625081 0.783283 0.725140 Y\n0.158202 0.374919 0.725140 Y\n0.666667 0.333333 0.652193 Al\n0.333333 0.666667 0.152193 Al\n0.000000 0.000000 0.063896 Co\n0.000000 0.000000 0.563896 Co\n0.435967 0.522364 -0.000127 S\n0.477636 0.913603 -0.000127 S\n0.086397 0.564033 -0.000127 S\n0.564033 0.477636 0.499873 S\n0.522364 0.086397 0.499873 S\n0.913603 0.435967 0.499873 S\n0.225966 0.127287 0.819124 S\n0.774034 0.872713 0.319124 S\n0.127287 0.901320 0.319124 S\n0.901320 0.774034 0.819124 S\n0.666667 0.333333 0.014609 S\n0.872713 0.098680 0.819124 S\n0.098680 0.225966 0.319124 S\n0.333333 0.666667 0.514609 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Y",
"Al",
"Co",
"S"
],
"chemical_system": "Al-Co-S-Y",
"density": 3.9991801601651233,
"density_atomic": 0.05007968785698573,
"volume": 479.2362138625468,
"volume_molar": 12.025116404873833,
"formula_full": "Y6 Al2 Co2 S14",
"formula_reduced": "Y3AlCoS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.5965800041666665,
"spacegroup": 173
},
{
"id": "jvasp-69017",
"created_at": "2022-09-04T14:36:06.985156Z",
"updated_at": "2022-09-04T14:36:06.985193Z",
"structure_string": "Ba1 Na2 Pd1\n1.0\n4.237069 0.000000 0.000000\n-0.000000 4.237069 0.000000\n-0.000000 0.000000 6.699470\nBa Na Pd\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.310570 Na\n0.000000 0.000000 0.689430 Na\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Pd"
],
"chemical_system": "Ba-Na-Pd",
"density": 4.000054012526892,
"density_atomic": 0.03325741361366624,
"volume": 120.27393490263198,
"volume_molar": 18.107664143568165,
"formula_full": "Ba1 Na2 Pd1",
"formula_reduced": "BaNa2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0054549175,
"spacegroup": 123
},
{
"id": "jvasp-2694",
"created_at": "2022-09-04T14:36:48.167603Z",
"updated_at": "2022-09-04T14:36:48.167611Z",
"structure_string": "K2 Nb2 S4\n1.0\n1.739148 -3.012292 0.000000\n1.739148 3.012292 0.000000\n0.000000 0.000000 15.541881\nK Nb S\n2 2 4\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.750000 Nb\n0.000000 0.000000 0.250000 Nb\n0.333334 0.666668 0.650170 S\n0.666668 0.333334 0.150170 S\n0.333334 0.666668 0.849830 S\n0.666668 0.333334 0.349830 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Nb",
"S"
],
"chemical_system": "K-Nb-S",
"density": 4.000058098629597,
"density_atomic": 0.04912728932272459,
"volume": 162.84228399915963,
"volume_molar": 12.258239449035438,
"formula_full": "K2 Nb2 S4",
"formula_reduced": "KNbS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7561543499999996,
"spacegroup": 194
},
{
"id": "jvasp-70260",
"created_at": "2022-09-04T14:36:09.548707Z",
"updated_at": "2022-09-04T14:36:09.548733Z",
"structure_string": "Be2 Te1 Se1\n1.0\n-1.721224 1.721224 7.867275\n1.721224 -1.721224 7.867275\n1.721224 1.721224 -7.867275\nBe Te Se\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.749999 0.250000 0.499999 Te\n0.500000 0.500000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Te",
"Se"
],
"chemical_system": "Be-Se-Te",
"density": 4.000087628717274,
"density_atomic": 0.042904306126662885,
"volume": 93.23073511994637,
"volume_molar": 14.036215251264814,
"formula_full": "Be2 Te1 Se1",
"formula_reduced": "Be2TeSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5519908333333332,
"spacegroup": 119
},
{
"id": "jvasp-11333",
"created_at": "2022-09-04T14:37:13.463053Z",
"updated_at": "2022-09-04T14:37:13.463074Z",
"structure_string": "Mn2 Zn2 F10\n1.0\n5.132387 -0.026581 -0.034404\n-1.847515 5.095459 -0.076398\n-2.164922 -2.305402 6.904179\nMn Zn F\n2 2 10\ndirect\n0.997014 -0.000607 -0.000814 Mn\n0.496996 -0.000619 0.499175 Mn\n0.791300 0.518250 0.259274 Zn\n0.202698 0.480515 0.739084 Zn\n0.885317 0.165092 0.768657 F\n0.108641 0.833665 0.229678 F\n0.338222 0.215685 0.615690 F\n0.001103 0.713256 0.824718 F\n0.595426 0.759211 0.953407 F\n0.260308 0.693648 0.549230 F\n0.398570 0.239585 0.044922 F\n0.733622 0.305113 0.449099 F\n0.992899 0.285520 0.173647 F\n0.655763 0.783082 0.382655 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"F"
],
"chemical_system": "F-Mn-Zn",
"density": 4.000128704091058,
"density_atomic": 0.0783069110054968,
"volume": 178.78370912903537,
"volume_molar": 7.690433299785343,
"formula_full": "Mn2 Zn2 F10",
"formula_reduced": "MnZnF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.0094249438423645,
"spacegroup": 2
},
{
"id": "jvasp-109596",
"created_at": "2022-09-04T14:38:09.879309Z",
"updated_at": "2022-09-04T14:38:09.879338Z",
"structure_string": "Sr6 Ho2\n1.0\n7.968661 -0.000000 0.000000\n-3.984330 6.901063 0.000000\n-0.000000 -0.000000 6.458468\nSr Ho\n6 2\ndirect\n0.171578 0.343156 0.250000 Sr\n0.656843 0.828422 0.250000 Sr\n0.171578 0.828422 0.250000 Sr\n0.828422 0.656843 0.750000 Sr\n0.343157 0.171578 0.750000 Sr\n0.828422 0.171578 0.750000 Sr\n0.333333 0.666666 0.750000 Ho\n0.666666 0.333333 0.250000 Ho\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Ho"
],
"chemical_system": "Ho-Sr",
"density": 4.0001768345487445,
"density_atomic": 0.0225247060016399,
"volume": 355.16556795092305,
"volume_molar": 26.735713041322544,
"formula_full": "Sr6 Ho2",
"formula_reduced": "Sr3Ho",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
}
]
}