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=3461",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3459",
"results": [
{
"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-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-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-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-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-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-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-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-30750",
"created_at": "2022-09-04T14:38:01.290150Z",
"updated_at": "2022-09-04T14:38:01.290171Z",
"structure_string": "Mg4 Ti4 Ge8 O24\n1.0\n5.119917 0.000000 -1.575384\n0.000000 8.484471 0.000000\n-0.206084 0.000000 12.049148\nMg Ti Ge O\n4 4 8 24\ndirect\n0.411672 0.457705 0.257713 Mg\n0.088329 0.957705 0.742287 Mg\n0.588329 0.542295 0.742288 Mg\n0.911672 0.042295 0.257713 Mg\n0.917550 0.656235 0.275185 Ti\n0.582451 0.156235 0.724816 Ti\n0.082451 0.343765 0.724816 Ti\n0.417550 0.843765 0.275184 Ti\n0.714154 0.150381 0.469183 Ge\n0.785848 0.650381 0.530818 Ge\n0.214153 0.349619 0.469183 Ge\n0.285848 0.849619 0.530818 Ge\n0.230542 0.647338 0.925530 Ge\n0.730543 0.852662 0.925530 Ge\n0.769459 0.352662 0.074471 Ge\n0.269459 0.147338 0.074471 Ge\n0.216071 0.003490 0.194892 O\n0.144471 0.851405 0.377882 O\n0.355531 0.351405 0.622119 O\n0.309191 0.164226 0.789687 O\n0.190810 0.664226 0.210313 O\n0.690811 0.835773 0.210313 O\n0.809191 0.335773 0.789688 O\n0.716071 0.496510 0.194893 O\n0.783930 -0.003490 0.805108 O\n0.283930 0.503490 0.805108 O\n0.133662 0.537285 0.411356 O\n0.965941 0.203911 0.403262 O\n0.866339 0.462715 0.588645 O\n0.633662 0.962715 0.411356 O\n0.638837 0.183401 0.153737 O\n0.861165 0.683401 0.846264 O\n0.361165 0.816598 0.846264 O\n0.138836 0.316599 0.153737 O\n0.644471 0.648595 0.377882 O\n0.534061 0.703911 0.596739 O\n0.034060 0.796089 0.596739 O\n0.465941 0.296089 0.403261 O\n0.366339 0.037285 0.588645 O\n0.855531 0.148595 0.622119 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"Ge",
"O"
],
"chemical_system": "Ge-Mg-O-Ti",
"density": 3.998735966271415,
"density_atomic": 0.0768258854066026,
"volume": 520.6578458328097,
"volume_molar": 7.838687088508898,
"formula_full": "Mg4 Ti4 Ge8 O24",
"formula_reduced": "MgTi(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.0470680283333333,
"spacegroup": 14
},
{
"id": "jvasp-65531",
"created_at": "2022-09-04T14:35:45.547935Z",
"updated_at": "2022-09-04T14:35:45.547960Z",
"structure_string": "Ba1 Sr1 Ti2\n1.0\n4.231713 -0.000000 0.000000\n-0.000000 4.231713 0.000000\n-0.000000 -0.000000 7.436847\nBa Sr Ti\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.798851 Ti\n0.000000 0.000000 0.201150 Ti\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Ti"
],
"chemical_system": "Ba-Sr-Ti",
"density": 3.998536535985206,
"density_atomic": 0.030035767459908335,
"volume": 133.17455614674037,
"volume_molar": 20.049898069154846,
"formula_full": "Ba1 Sr1 Ti2",
"formula_reduced": "BaSrTi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9410622366666668,
"spacegroup": 123
},
{
"id": "jvasp-29867",
"created_at": "2022-09-04T14:37:11.484942Z",
"updated_at": "2022-09-04T14:37:11.484967Z",
"structure_string": "Ni1 H2 O2\n1.0\n0.454947 0.262663 4.437289\n-2.683084 0.272081 4.758619\n-1.105912 -2.459659 4.758619\nNi H O\n1 2 2\ndirect\n0.000001 0.887289 0.112710 Ni\n0.222990 0.553968 0.779368 H\n0.777012 0.220631 0.446032 H\n0.442089 0.553959 0.779376 O\n0.557913 0.220623 0.446040 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ni",
"H",
"O"
],
"chemical_system": "H-Ni-O",
"density": 3.998139333321941,
"density_atomic": 0.12985576797447376,
"volume": 38.50425805485104,
"volume_molar": 4.637561237313535,
"formula_full": "Ni1 H2 O2",
"formula_reduced": "Ni(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.17142388,
"spacegroup": 164
},
{
"id": "jvasp-98759",
"created_at": "2022-09-04T14:36:15.904137Z",
"updated_at": "2022-09-04T14:36:15.904164Z",
"structure_string": "K4 Ag4 C4 O12\n1.0\n5.469040 -0.000019 -1.487302\n-0.431120 5.636496 -1.585532\n0.083831 0.074079 11.109432\nK Ag C O\n4 4 4 12\ndirect\n0.181593 0.931545 0.363062 K\n0.318404 0.568455 0.636938 K\n0.818406 0.068456 0.636938 K\n0.681596 0.431545 0.363062 K\n0.249991 0.865760 -0.000001 Ag\n0.749997 0.634234 0.000000 Ag\n0.750009 0.134240 0.000001 Ag\n0.250003 0.365766 0.000000 Ag\n0.127744 0.377687 0.255362 C\n0.372260 0.122309 0.744639 C\n0.872256 0.622314 0.744638 C\n0.627740 0.877692 0.255361 C\n0.548748 0.016691 0.804715 O\n0.809966 0.560056 0.620096 O\n0.690022 0.939958 0.379902 O\n0.190034 0.439945 0.379904 O\n0.309978 0.060043 0.620098 O\n0.048747 0.788001 0.804713 O\n0.744148 0.712003 0.195290 O\n0.451251 0.983309 0.195285 O\n0.755850 0.516689 0.804710 O\n0.951253 0.212000 0.195287 O\n0.255852 0.287997 0.804710 O\n0.244150 0.483312 0.195290 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Ag",
"C",
"O"
],
"chemical_system": "Ag-C-K-O",
"density": 3.9980965703793254,
"density_atomic": 0.06979699131554207,
"volume": 343.85436317017565,
"volume_molar": 8.62808073312899,
"formula_full": "K4 Ag4 C4 O12",
"formula_reduced": "KAgCO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.99448596,
"spacegroup": 73
}
]
}