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=volume_molar&page=4500",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=4498",
"results": [
{
"id": "jvasp-66064",
"created_at": "2022-09-04T14:35:58.389905Z",
"updated_at": "2022-09-04T14:35:58.389932Z",
"structure_string": "Ba1 Ta1 Te1\n1.0\n0.000000 3.949644 3.949644\n3.949644 0.000000 3.949644\n3.949644 3.949644 -0.000000\nBa Ta Te\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Te"
],
"chemical_system": "Ba-Ta-Te",
"density": 6.008391874270018,
"density_atomic": 0.02434542732297353,
"volume": 123.22642606355298,
"volume_molar": 24.736229436881622,
"formula_full": "Ba1 Ta1 Te1",
"formula_reduced": "BaTaTe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.5617743122222216,
"spacegroup": 216
},
{
"id": "jvasp-66546",
"created_at": "2022-09-04T14:36:10.300619Z",
"updated_at": "2022-09-04T14:36:10.300647Z",
"structure_string": "Ba1 Na1 Sb1\n1.0\n0.000000 3.949682 3.949682\n3.949682 -0.000000 3.949682\n3.949682 3.949682 -0.000000\nBa Na Sb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Sb"
],
"chemical_system": "Ba-Na-Sb",
"density": 3.8010189113549444,
"density_atomic": 0.024344724645640792,
"volume": 123.2299828265745,
"volume_molar": 24.736943414467145,
"formula_full": "Ba1 Na1 Sb1",
"formula_reduced": "BaNaSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1162953449999999,
"spacegroup": 216
},
{
"id": "jvasp-102093",
"created_at": "2022-09-04T14:36:38.612198Z",
"updated_at": "2022-09-04T14:36:38.612227Z",
"structure_string": "Rb2 Li1 Y1 I6\n1.0\n7.226104 -0.000000 4.171993\n2.408702 6.812836 4.171993\n-0.000000 -0.000000 8.343985\nRb Li Y I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.746506 0.253494 0.253494 I\n0.253493 0.253494 0.746507 I\n0.253493 0.746507 0.746506 I\n0.253493 0.746507 0.253493 I\n0.746506 0.253494 0.746507 I\n0.746506 0.746507 0.253493 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Y",
"I"
],
"chemical_system": "I-Li-Rb-Y",
"density": 4.156472920282219,
"density_atomic": 0.024344134730197396,
"volume": 410.77656325963466,
"volume_molar": 24.737542848585644,
"formula_full": "Rb2 Li1 Y1 I6",
"formula_reduced": "Rb2LiYI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-4219",
"created_at": "2022-09-04T14:37:42.398033Z",
"updated_at": "2022-09-04T14:37:42.398050Z",
"structure_string": "Al4 I12\n1.0\n0.000000 9.610161 -0.083708\n6.036528 0.000000 0.000000\n0.000000 -3.759411 -11.304149\nAl I\n4 12\ndirect\n0.196664 0.001485 0.048784 Al\n0.803336 0.501485 0.451216 Al\n0.803336 0.998515 0.951216 Al\n0.196664 0.498515 0.548784 Al\n0.331992 0.748953 0.211820 I\n0.668008 0.248952 0.288180 I\n0.668008 0.251048 0.788180 I\n0.331992 0.751048 0.711820 I\n0.330212 0.255362 0.951962 I\n0.669788 0.755362 0.548038 I\n0.669788 0.744638 0.048038 I\n0.330212 0.244638 0.451962 I\n0.000689 0.768649 0.881097 I\n0.999311 0.268648 0.618903 I\n0.999311 0.231352 0.118903 I\n0.000689 0.731352 0.381097 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Al",
"I"
],
"chemical_system": "Al-I",
"density": 4.11748872185753,
"density_atomic": 0.02432808819874354,
"volume": 657.676010925772,
"volume_molar": 24.75385945168935,
"formula_full": "Al4 I12",
"formula_reduced": "AlI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.01174290625,
"spacegroup": 14
},
{
"id": "jvasp-115911",
"created_at": "2022-09-04T14:38:39.880349Z",
"updated_at": "2022-09-04T14:38:39.880374Z",
"structure_string": "Rb1 Pb1 Cl1\n1.0\n5.846391 -0.319868 0.000000\n-0.322920 6.103081 0.000000\n0.000000 0.000000 3.467162\nRb Pb Cl\n1 1 1\ndirect\n-0.058048 0.449783 0.000000 Rb\n0.435577 -0.047462 0.000000 Pb\n-0.065684 -0.051001 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Cl"
],
"chemical_system": "Cl-Pb-Rb",
"density": 4.417034408640991,
"density_atomic": 0.02432031400611464,
"volume": 123.35367048491794,
"volume_molar": 24.761772230761114,
"formula_full": "Rb1 Pb1 Cl1",
"formula_reduced": "RbPbCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 10
},
{
"id": "jvasp-105111",
"created_at": "2022-09-04T14:36:45.096324Z",
"updated_at": "2022-09-04T14:36:45.096339Z",
"structure_string": "Tb2 Ac6\n1.0\n7.795987 -0.000000 0.000000\n-3.897993 6.751523 0.000000\n0.000000 -0.000000 6.250319\nTb Ac\n2 6\ndirect\n0.333334 0.666666 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.169585 0.339170 0.250000 Ac\n0.660830 0.830415 0.250000 Ac\n0.169585 0.830415 0.250000 Ac\n0.830416 0.660830 0.750000 Ac\n0.339170 0.169584 0.750000 Ac\n0.830416 0.169584 0.750000 Ac\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Ac"
],
"chemical_system": "Ac-Tb",
"density": 8.479002069004402,
"density_atomic": 0.024317277234945506,
"volume": 328.98420011034295,
"volume_molar": 24.76486451100616,
"formula_full": "Tb2 Ac6",
"formula_reduced": "Ac3Tb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.9232496,
"spacegroup": 194
},
{
"id": "jvasp-66084",
"created_at": "2022-09-04T14:36:14.090211Z",
"updated_at": "2022-09-04T14:36:14.090237Z",
"structure_string": "K1 Ba1 Be1\n1.0\n-0.000000 3.951252 3.951252\n3.951252 -0.000000 3.951252\n3.951252 3.951252 0.000000\nK Ba Be\n1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Be\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Ba",
"Be"
],
"chemical_system": "Ba-Be-K",
"density": 2.4958152687273665,
"density_atomic": 0.024315716599992755,
"volume": 123.37699313376986,
"volume_molar": 24.766453973237187,
"formula_full": "K1 Ba1 Be1",
"formula_reduced": "KBaBe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4911866899999998,
"spacegroup": 216
},
{
"id": "jvasp-64437",
"created_at": "2022-09-04T14:35:50.304074Z",
"updated_at": "2022-09-04T14:35:50.304094Z",
"structure_string": "Ba4 Nb1 Zn1\n1.0\n-0.000000 4.978272 4.978272\n4.978272 -0.000000 4.978272\n4.978272 4.978272 -0.000000\nBa Nb Zn\n4 1 1\ndirect\n0.125279 0.624907 0.624907 Ba\n0.624907 0.624907 0.624907 Ba\n0.624907 0.125279 0.624907 Ba\n0.624907 0.624907 0.125279 Ba\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Zn"
],
"chemical_system": "Ba-Nb-Zn",
"density": 4.761956353316363,
"density_atomic": 0.024315622354838803,
"volume": 246.7549426636823,
"volume_molar": 24.766549965773734,
"formula_full": "Ba4 Nb1 Zn1",
"formula_reduced": "Ba4NbZn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7059406133333334,
"spacegroup": 216
},
{
"id": "jvasp-64750",
"created_at": "2022-09-04T14:36:02.688601Z",
"updated_at": "2022-09-04T14:36:02.688627Z",
"structure_string": "Ba4 Zr1 Sc1\n1.0\n0.000000 4.978354 4.978354\n4.978354 0.000000 4.978354\n4.978354 4.978354 -0.000000\nBa Zr Sc\n4 1 1\ndirect\n0.123799 0.625400 0.625400 Ba\n0.625400 0.625400 0.625400 Ba\n0.625400 0.123799 0.625400 Ba\n0.625400 0.625400 0.123799 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Sc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"Sc"
],
"chemical_system": "Ba-Sc-Zr",
"density": 4.612767628256521,
"density_atomic": 0.02431442084434469,
"volume": 246.76713619504307,
"volume_molar": 24.767773818477334,
"formula_full": "Ba4 Zr1 Sc1",
"formula_reduced": "Ba4ZrSc",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2443872716666664,
"spacegroup": 216
},
{
"id": "jvasp-64227",
"created_at": "2022-09-04T14:36:17.757107Z",
"updated_at": "2022-09-04T14:36:17.757153Z",
"structure_string": "Ba4 Sc1 Pd1\n1.0\n-0.000000 4.978537 4.978537\n4.978537 0.000000 4.978537\n4.978537 4.978537 -0.000000\nBa Sc Pd\n4 1 1\ndirect\n0.127387 0.624205 0.624205 Ba\n0.624205 0.624205 0.624205 Ba\n0.624205 0.127387 0.624205 Ba\n0.624205 0.624205 0.127387 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Pd"
],
"chemical_system": "Ba-Pd-Sc",
"density": 4.7145042382080335,
"density_atomic": 0.02431173971003075,
"volume": 246.79435003676303,
"volume_molar": 24.770505244901635,
"formula_full": "Ba4 Sc1 Pd1",
"formula_reduced": "Ba4ScPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7205958049999999,
"spacegroup": 216
},
{
"id": "jvasp-10463",
"created_at": "2022-09-04T14:37:15.606894Z",
"updated_at": "2022-09-04T14:37:15.606913Z",
"structure_string": "Ba10 Sb8\n1.0\n8.104133 -0.000000 -4.118959\n-0.000000 9.133181 -0.000000\n-0.011485 0.000000 10.009406\nBa Sb\n10 8\ndirect\n0.500000 0.500000 -0.000000 Ba\n0.475577 0.834081 0.290909 Ba\n0.684668 0.665919 0.709092 Ba\n0.975576 0.665919 0.290909 Ba\n0.184668 0.834081 0.709092 Ba\n0.524424 0.165919 0.709092 Ba\n0.315332 0.334081 0.290909 Ba\n0.000000 0.000000 0.000000 Ba\n0.024424 0.334081 0.709092 Ba\n0.815332 0.165919 0.290909 Ba\n0.699561 0.500000 0.399124 Sb\n0.800439 0.000000 0.600877 Sb\n0.300439 0.500000 0.600877 Sb\n0.199561 0.000000 0.399124 Sb\n0.114901 0.614800 -0.000000 Sb\n0.614901 0.885200 -0.000000 Sb\n0.385098 0.114800 -0.000000 Sb\n0.885098 0.385200 -0.000000 Sb\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 5.264333127698285,
"density_atomic": 0.02431022182643174,
"volume": 740.4292782071271,
"volume_molar": 24.772051867714,
"formula_full": "Ba10 Sb8",
"formula_reduced": "Ba5Sb4",
"formula_anonymous": "A4B5",
"energy_above_hull": 0.5599060277777778,
"spacegroup": 64
},
{
"id": "jvasp-66031",
"created_at": "2022-09-04T14:35:43.633532Z",
"updated_at": "2022-09-04T14:35:43.633562Z",
"structure_string": "Ba1 Li1 Cr1\n1.0\n0.000000 3.951787 3.951787\n3.951787 0.000000 3.951787\n3.951787 3.951787 -0.000000\nBa Li Cr\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Cr"
],
"chemical_system": "Ba-Cr-Li",
"density": 2.640458732060018,
"density_atomic": 0.024305842221167818,
"volume": 123.4271156992584,
"volume_molar": 24.776515478057995,
"formula_full": "Ba1 Li1 Cr1",
"formula_reduced": "BaLiCr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9080911233333329,
"spacegroup": 216
}
]
}