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=energy_above_hull&page=3798",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3796",
"results": [
{
"id": "jvasp-115275",
"created_at": "2022-09-04T14:38:45.083361Z",
"updated_at": "2022-09-04T14:38:45.083395Z",
"structure_string": "B1 As1 O1\n1.0\n3.884176 0.000000 -0.000000\n-1.942088 3.363795 0.000000\n-0.000000 0.000000 2.660261\nB As O\n1 1 1\ndirect\n0.333334 0.666666 0.000000 B\n0.000000 0.000000 0.000000 As\n0.666668 0.333333 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"B",
"As",
"O"
],
"chemical_system": "As-B-O",
"density": 4.860198547027994,
"density_atomic": 0.08631148443517694,
"volume": 34.757831123309074,
"volume_molar": 6.977218384562539,
"formula_full": "B1 As1 O1",
"formula_reduced": "BAsO",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0392492777777784,
"spacegroup": 187
},
{
"id": "jvasp-105316",
"created_at": "2022-09-04T14:36:58.592271Z",
"updated_at": "2022-09-04T14:36:58.592291Z",
"structure_string": "Si2 Rh3\n1.0\n3.981920 0.000000 0.000000\n-1.990961 3.448444 0.000000\n0.000000 -0.000000 5.181412\nSi Rh\n2 3\ndirect\n0.333333 0.666666 0.206704 Si\n0.666666 0.333333 0.793296 Si\n0.333333 0.666666 0.672885 Rh\n0.666666 0.333333 0.327115 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Si",
"Rh"
],
"chemical_system": "Rh-Si",
"density": 8.516168555335168,
"density_atomic": 0.07027586008542008,
"volume": 71.14818650276946,
"volume_molar": 8.569287878768197,
"formula_full": "Si2 Rh3",
"formula_reduced": "Si2Rh3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.03925524,
"spacegroup": 164
},
{
"id": "jvasp-62736",
"created_at": "2022-09-04T14:35:53.515646Z",
"updated_at": "2022-09-04T14:35:53.515662Z",
"structure_string": "Cd2 B4 H16\n1.0\n6.034284 -0.000000 0.000000\n0.000000 6.034284 0.000000\n0.000000 0.000000 5.789897\nCd B H\n2 4 16\ndirect\n0.000000 0.000000 0.996519 Cd\n0.500000 0.500000 0.496519 Cd\n0.273169 0.273169 0.224078 B\n0.726830 0.726830 0.224078 B\n0.773169 0.226831 0.724079 B\n0.226831 0.773169 0.724079 B\n0.699638 0.699638 0.019249 H\n0.300361 0.300361 0.019249 H\n0.365361 0.634638 0.791090 H\n0.634638 0.365361 0.791090 H\n0.865361 0.865361 0.291090 H\n0.134638 0.134638 0.291090 H\n0.198073 0.447915 0.303663 H\n0.052085 0.698072 0.803663 H\n0.947914 0.301927 0.803663 H\n0.800361 0.199639 0.519249 H\n0.301927 0.947914 0.803663 H\n0.698072 0.052085 0.803663 H\n0.552085 0.801927 0.303663 H\n0.447915 0.198073 0.303663 H\n0.801927 0.552085 0.303663 H\n0.199639 0.800361 0.519249 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Cd",
"B",
"H"
],
"chemical_system": "B-Cd-H",
"density": 2.23841292582964,
"density_atomic": 0.10435189753632768,
"volume": 210.8251073473888,
"volume_molar": 5.77099305540039,
"formula_full": "Cd2 B4 H16",
"formula_reduced": "Cd(BH4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.039364083333333,
"spacegroup": 102
},
{
"id": "jvasp-91521",
"created_at": "2022-09-04T14:35:48.922277Z",
"updated_at": "2022-09-04T14:35:48.922308Z",
"structure_string": "Ce2 Si4 Ir2\n1.0\n0.000000 0.000000 -4.213987\n-4.205215 -0.000000 0.000000\n2.102608 8.427301 -0.000000\nCe Si Ir\n2 4 2\ndirect\n0.750001 0.105885 0.211771 Ce\n0.250000 0.894113 0.788229 Ce\n0.750001 0.463877 0.927756 Si\n0.250000 0.536121 0.072244 Si\n0.750001 0.750017 0.500035 Si\n0.250000 0.249982 0.499964 Si\n0.750001 0.323091 0.646183 Ir\n0.250000 0.676908 0.353817 Ir\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Ir"
],
"chemical_system": "Ce-Ir-Si",
"density": 8.63981981686415,
"density_atomic": 0.05356980735969139,
"volume": 149.33785268788554,
"volume_molar": 11.241669621032388,
"formula_full": "Ce2 Si4 Ir2",
"formula_reduced": "CeSi2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.03936595,
"spacegroup": 63
},
{
"id": "jvasp-115181",
"created_at": "2022-09-04T14:38:45.074305Z",
"updated_at": "2022-09-04T14:38:45.074329Z",
"structure_string": "Li1 B2\n1.0\n3.333457 0.000000 -0.000000\n-1.666728 2.886858 0.000000\n0.000000 0.000000 2.685899\nLi B\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.000000 B\n0.666666 0.333333 0.000000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"B"
],
"chemical_system": "B-Li",
"density": 1.835029119697417,
"density_atomic": 0.1160676784091551,
"volume": 25.846988938854903,
"volume_molar": 5.188473520398242,
"formula_full": "Li1 B2",
"formula_reduced": "LiB2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.039405055555556,
"spacegroup": 191
},
{
"id": "jvasp-75774",
"created_at": "2022-09-04T14:35:56.277047Z",
"updated_at": "2022-09-04T14:35:56.277068Z",
"structure_string": "Ta1 As1 Br1\n1.0\n-0.000000 3.185589 3.185589\n3.185589 -0.000000 3.185589\n3.185589 3.185589 0.000000\nTa As Br\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"As",
"Br"
],
"chemical_system": "As-Br-Ta",
"density": 8.623752114752833,
"density_atomic": 0.04640043263601668,
"volume": 64.65456957121897,
"volume_molar": 12.978630624503117,
"formula_full": "Ta1 As1 Br1",
"formula_reduced": "TaAsBr",
"formula_anonymous": "ABC",
"energy_above_hull": 3.039565018333333,
"spacegroup": 216
},
{
"id": "jvasp-46773",
"created_at": "2022-09-04T14:38:08.436064Z",
"updated_at": "2022-09-04T14:38:08.436092Z",
"structure_string": "Li4 Ni2 C4 O12\n1.0\n5.099380 -0.001468 0.001677\n-2.507786 5.464775 0.012254\n-0.002523 -0.018636 7.848949\nLi Ni C O\n4 2 4 12\ndirect\n0.691409 0.315479 0.057543 Li\n0.815031 0.193154 0.557555 Li\n0.191361 0.815458 0.442203 Li\n0.315004 0.693096 0.942235 Li\n0.503207 0.504317 0.499884 Ni\n0.003208 0.004306 -0.000116 Ni\n0.277568 0.126737 0.735135 C\n0.228857 0.381869 0.235133 C\n0.777561 0.626731 0.764625 C\n0.728824 0.881865 0.264621 C\n0.907641 0.655105 0.910132 O\n0.598733 0.853477 0.410128 O\n0.896149 0.598283 0.624518 O\n0.519628 0.615909 0.753311 O\n0.486796 0.392706 0.246448 O\n0.019629 0.115907 0.746455 O\n0.098785 0.353506 0.089622 O\n0.407656 0.155119 0.589626 O\n0.396154 0.098290 0.875243 O\n0.610241 0.910312 0.124513 O\n0.110249 0.410296 0.375238 O\n0.986772 0.892710 0.253303 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"C",
"O"
],
"chemical_system": "C-Li-Ni-O",
"density": 2.924648895035783,
"density_atomic": 0.1005949953483693,
"volume": 218.69875259511738,
"volume_molar": 5.986521237110056,
"formula_full": "Li4 Ni2 C4 O12",
"formula_reduced": "Li2Ni(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.040050309090909,
"spacegroup": 14
},
{
"id": "jvasp-48149",
"created_at": "2022-09-04T14:36:45.961761Z",
"updated_at": "2022-09-04T14:36:45.961784Z",
"structure_string": "Li4 Ni2 C4 O12\n1.0\n-0.000000 -7.937245 -2.782584\n-5.139959 -0.000000 -2.782584\n-0.000000 -0.000000 -5.565170\nLi Ni C O\n4 2 4 12\ndirect\n0.656339 0.911100 0.537644 Li\n0.156339 0.588900 0.698745 Li\n0.843662 0.411100 0.443984 Li\n0.343661 0.088900 0.105085 Li\n0.500000 0.500000 0.268215 Ni\n-0.000000 -0.000000 0.018216 Ni\n0.701033 0.943914 0.967284 C\n0.201033 0.556086 0.161200 C\n0.798968 0.443914 0.918317 C\n0.298967 0.056086 0.612233 C\n0.455844 0.137602 0.468575 O\n0.955844 0.362398 0.856177 O\n0.732261 0.428094 0.173979 O\n0.720187 0.535454 0.733741 O\n0.279814 0.464546 0.989382 O\n0.779814 0.035454 0.703929 O\n0.044156 0.637602 0.174419 O\n0.544156 0.862398 0.062020 O\n0.767740 0.928094 0.156239 O\n0.232261 0.071906 0.852074 O\n0.267740 0.571906 0.334333 O\n0.220187 -0.035454 0.519196 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"C",
"O"
],
"chemical_system": "C-Li-Ni-O",
"density": 2.817164235353984,
"density_atomic": 0.0968979981262192,
"volume": 227.04287421235298,
"volume_molar": 6.214927941189836,
"formula_full": "Li4 Ni2 C4 O12",
"formula_reduced": "Li2Ni(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.040313036363636,
"spacegroup": 43
},
{
"id": "jvasp-69002",
"created_at": "2022-09-04T14:35:43.469373Z",
"updated_at": "2022-09-04T14:35:43.469397Z",
"structure_string": "Ba1 V2 P1\n1.0\n4.518761 -0.000000 0.000000\n0.000000 4.518761 0.000000\n0.000000 0.000000 4.284452\nBa V P\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"V",
"P"
],
"chemical_system": "Ba-P-V",
"density": 5.128310551379215,
"density_atomic": 0.04572207860821998,
"volume": 87.48508645625911,
"volume_molar": 13.171187626009049,
"formula_full": "Ba1 V2 P1",
"formula_reduced": "BaV2P",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0403449675000003,
"spacegroup": 123
},
{
"id": "jvasp-106246",
"created_at": "2022-09-04T14:38:40.016343Z",
"updated_at": "2022-09-04T14:38:40.016373Z",
"structure_string": "Fe2 Rh6\n1.0\n5.353898 -0.000000 -0.000000\n-2.676948 4.636612 0.000000\n0.000000 0.000000 4.257807\nFe Rh\n2 6\ndirect\n0.333333 0.666667 0.750000 Fe\n0.666667 0.333333 0.250000 Fe\n0.169646 0.339292 0.250000 Rh\n0.660707 0.830353 0.250000 Rh\n0.169646 0.830353 0.250000 Rh\n0.830354 0.660707 0.750000 Rh\n0.339293 0.169646 0.750000 Rh\n0.830354 0.169646 0.750000 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Fe",
"Rh"
],
"chemical_system": "Fe-Rh",
"density": 11.454946790047325,
"density_atomic": 0.07568906973645248,
"volume": 105.6955783424979,
"volume_molar": 7.956420631101623,
"formula_full": "Fe2 Rh6",
"formula_reduced": "FeRh3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0404561249999995,
"spacegroup": 194
},
{
"id": "jvasp-71844",
"created_at": "2022-09-04T14:36:02.671558Z",
"updated_at": "2022-09-04T14:36:02.671574Z",
"structure_string": "Be1 V1 P2\n1.0\n-1.689944 1.689944 4.416632\n1.689944 -1.689944 4.416632\n1.689944 1.689944 -4.416632\nBe V P\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 P\n0.250000 0.749999 0.499999 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"P"
],
"chemical_system": "Be-P-V",
"density": 4.012003160985667,
"density_atomic": 0.07928009431955939,
"volume": 50.45402675578238,
"volume_molar": 7.596031275803192,
"formula_full": "Be1 V1 P2",
"formula_reduced": "BeVP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0406478250000006,
"spacegroup": 119
},
{
"id": "jvasp-75552",
"created_at": "2022-09-04T14:35:52.577143Z",
"updated_at": "2022-09-04T14:35:52.577173Z",
"structure_string": "Ta1 As1 Au1\n1.0\n-0.000000 3.166332 3.166332\n3.166332 0.000000 3.166332\n3.166332 3.166332 -0.000000\nTa As Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ta",
"As",
"Au"
],
"chemical_system": "As-Au-Ta",
"density": 11.843791246315144,
"density_atomic": 0.047252186436694675,
"volume": 63.48912560944031,
"volume_molar": 12.74468170497901,
"formula_full": "Ta1 As1 Au1",
"formula_reduced": "TaAsAu",
"formula_anonymous": "ABC",
"energy_above_hull": 3.0406561733333337,
"spacegroup": 216
}
]
}