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=nelements&page=999",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=997",
"results": [
{
"id": "jvasp-34702",
"created_at": "2022-09-04T14:38:14.701297Z",
"updated_at": "2022-09-04T14:38:14.701325Z",
"structure_string": "Si8 O16\n1.0\n4.753683 0.000000 0.000000\n0.000000 8.133819 0.000000\n0.000000 0.000000 8.651944\nSi O\n8 16\ndirect\n0.140782 0.062877 0.159251 Si\n0.140782 0.437123 0.659251 Si\n0.640782 0.562877 0.840748 Si\n0.359218 0.437123 0.159251 Si\n0.859217 0.562877 0.340748 Si\n0.859217 0.937124 0.840748 Si\n0.640782 0.937124 0.340748 Si\n0.359218 0.062877 0.659251 Si\n0.094255 0.943453 0.702681 O\n0.250000 0.250000 0.139383 O\n0.500000 0.500000 0.000000 O\n0.905744 0.443453 0.797318 O\n0.749999 0.750000 0.860617 O\n0.749999 0.750000 0.360617 O\n0.000000 0.500000 0.500000 O\n0.250000 0.250000 0.639383 O\n0.405744 0.943453 0.202681 O\n0.094255 0.556547 0.202681 O\n0.000000 0.000000 0.000000 O\n0.405744 0.556547 0.702681 O\n0.594255 0.443453 0.297318 O\n0.594255 0.056547 0.797318 O\n0.905744 0.056547 0.297318 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.3859518179348274,
"density_atomic": 0.07174189113868455,
"volume": 334.5325808822839,
"volume_molar": 8.394176211996662,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3921918666666668,
"spacegroup": 56
},
{
"id": "jvasp-37131",
"created_at": "2022-09-04T14:38:08.893888Z",
"updated_at": "2022-09-04T14:38:08.893903Z",
"structure_string": "Os2 C2\n1.0\n1.470630 -2.547206 -0.000000\n1.470630 2.547206 0.000000\n-0.000000 -0.000000 5.526588\nOs C\n2 2\ndirect\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.333333 0.666667 0.750000 C\n0.666667 0.333333 0.250000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 16.22157718855419,
"density_atomic": 0.09660629261314611,
"volume": 41.40517032381887,
"volume_molar": 6.233694097045301,
"formula_full": "Os2 C2",
"formula_reduced": "OsC",
"formula_anonymous": "AB",
"energy_above_hull": 4.4472825,
"spacegroup": 194
},
{
"id": "jvasp-32797",
"created_at": "2022-09-04T14:38:05.240643Z",
"updated_at": "2022-09-04T14:38:05.240678Z",
"structure_string": "Pb2 Cl8\n1.0\n5.104712 -0.000365 1.434126\n2.315998 5.957336 1.557105\n-0.008666 0.070504 9.835838\nPb Cl\n2 8\ndirect\n0.253381 0.750023 0.249986 Pb\n0.746618 0.249976 0.750015 Pb\n0.121652 0.419858 0.315544 Cl\n0.878348 0.580142 0.684457 Cl\n0.617605 0.185043 0.549388 Cl\n0.351991 0.314913 0.950634 Cl\n0.857081 0.080150 0.184474 Cl\n0.142919 0.919849 0.815528 Cl\n0.382394 0.814957 0.450613 Cl\n0.648007 0.685086 0.049367 Cl\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Pb",
"Cl"
],
"chemical_system": "Cl-Pb",
"density": 3.8782783900424844,
"density_atomic": 0.03345950623384468,
"volume": 298.8687259791325,
"volume_molar": 17.998295366082044,
"formula_full": "Pb2 Cl8",
"formula_reduced": "PbCl4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.187179627,
"spacegroup": 15
},
{
"id": "jvasp-39422",
"created_at": "2022-09-04T14:38:04.821933Z",
"updated_at": "2022-09-04T14:38:04.821965Z",
"structure_string": "Li1 Cu3\n1.0\n0.000000 2.896061 2.896061\n2.896061 -0.000000 2.896061\n2.896061 2.896061 -0.000000\nLi Cu\n1 3\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.250001 0.250001 0.250001 Cu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cu"
],
"chemical_system": "Cu-Li",
"density": 6.753622305905671,
"density_atomic": 0.08233924491994563,
"volume": 48.57950791131255,
"volume_molar": 7.313815867336444,
"formula_full": "Li1 Cu3",
"formula_reduced": "LiCu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0097775,
"spacegroup": 225
},
{
"id": "jvasp-38164",
"created_at": "2022-09-04T14:38:15.638193Z",
"updated_at": "2022-09-04T14:38:15.638219Z",
"structure_string": "K3 Tl1\n1.0\n5.745193 0.000000 0.000000\n0.000000 5.745193 -0.000000\n-0.000000 -0.000000 5.745193\nK Tl\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Tl"
],
"chemical_system": "K-Tl",
"density": 2.8168054960339464,
"density_atomic": 0.021093377414472186,
"volume": 189.63297917646875,
"volume_molar": 28.54991233347109,
"formula_full": "K3 Tl1",
"formula_reduced": "K3Tl",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0058475,
"spacegroup": 221
},
{
"id": "jvasp-20586",
"created_at": "2022-09-04T14:38:15.415858Z",
"updated_at": "2022-09-04T14:38:15.415877Z",
"structure_string": "Tb1 C2\n1.0\n3.282018 0.000000 -1.675146\n-0.854997 3.168693 -1.675146\n0.006237 0.008144 4.064929\nTb C\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.603726 0.603726 0.207453 C\n0.396274 0.396272 0.792545 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tb",
"C"
],
"chemical_system": "C-Tb",
"density": 7.171017122071265,
"density_atomic": 0.07081548240087407,
"volume": 42.36361736572695,
"volume_molar": 8.503988895972936,
"formula_full": "Tb1 C2",
"formula_reduced": "TbC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.8779794666666656,
"spacegroup": 139
},
{
"id": "jvasp-19669",
"created_at": "2022-09-04T14:38:15.213113Z",
"updated_at": "2022-09-04T14:38:15.213148Z",
"structure_string": "Sr2 Rh4\n1.0\n4.737904 -0.000000 2.735431\n1.579301 4.466939 2.735431\n-0.000000 -0.000000 5.470861\nSr Rh\n2 4\ndirect\n0.125000 0.125000 0.125000 Sr\n0.874999 0.875000 0.875000 Sr\n-0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.499999 0.500000 0.000000 Rh\n0.499999 0.500000 0.500000 Rh\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Rh"
],
"chemical_system": "Rh-Sr",
"density": 8.416531004063632,
"density_atomic": 0.0518202246199868,
"volume": 115.78490915467452,
"volume_molar": 11.621217013554377,
"formula_full": "Sr2 Rh4",
"formula_reduced": "SrRh2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4327107700000004,
"spacegroup": 227
},
{
"id": "jvasp-19665",
"created_at": "2022-09-04T14:38:14.667030Z",
"updated_at": "2022-09-04T14:38:14.667048Z",
"structure_string": "Li2 Ga2\n1.0\n3.811105 -0.000000 2.200342\n1.270369 3.593144 2.200342\n-0.000000 -0.000000 4.400685\nLi Ga\n2 2\ndirect\n0.625000 0.624999 0.624999 Li\n0.375000 0.375000 0.374999 Li\n0.125000 0.125000 0.125000 Ga\n0.875000 0.874999 0.874999 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Ga"
],
"chemical_system": "Ga-Li",
"density": 4.224980886740803,
"density_atomic": 0.06637647296529124,
"volume": 60.26231616873692,
"volume_molar": 9.07270376229394,
"formula_full": "Li2 Ga2",
"formula_reduced": "LiGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.052055,
"spacegroup": 227
},
{
"id": "jvasp-12695",
"created_at": "2022-09-04T14:38:14.640118Z",
"updated_at": "2022-09-04T14:38:14.640147Z",
"structure_string": "Mn4 O8\n1.0\n4.955356 0.007307 2.855939\n1.643200 4.670140 2.863535\n0.004585 -0.006455 5.719473\nMn O\n4 8\ndirect\n0.500002 0.500000 0.499998 Mn\n0.000001 0.500000 0.499998 Mn\n0.500000 0.500001 -0.000001 Mn\n0.500000 -0.000000 0.500000 Mn\n0.291448 0.736179 0.736200 O\n0.736173 0.736202 0.736177 O\n0.736181 0.291448 0.736170 O\n0.736202 0.736171 0.291447 O\n0.263828 0.263800 0.263820 O\n0.708554 0.263819 0.263798 O\n0.263799 0.263827 0.708552 O\n0.263820 0.708552 0.263829 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.364924803752527,
"density_atomic": 0.09070788657247811,
"volume": 132.2927967284484,
"volume_molar": 6.639048695273198,
"formula_full": "Mn4 O8",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.103414747126437,
"spacegroup": 227
},
{
"id": "jvasp-37328",
"created_at": "2022-09-04T14:38:05.242946Z",
"updated_at": "2022-09-04T14:38:05.242973Z",
"structure_string": "Ba6 Tb2\n1.0\n4.137740 -7.166776 -0.000000\n4.137740 7.166776 0.000000\n-0.000000 0.000000 6.594539\nTb Ba\n2 6\ndirect\n0.333333 0.666667 0.250000 Tb\n0.666667 0.333333 0.750000 Tb\n0.171920 0.828080 0.750000 Ba\n0.656159 0.828079 0.750000 Ba\n0.171921 0.343841 0.750000 Ba\n0.828080 0.171920 0.250000 Ba\n0.343841 0.171921 0.250000 Ba\n0.828079 0.656159 0.250000 Ba\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Ba"
],
"chemical_system": "Ba-Tb",
"density": 4.847775523336815,
"density_atomic": 0.02045448370613204,
"volume": 391.112291805326,
"volume_molar": 29.441665927723346,
"formula_full": "Ba6 Tb2",
"formula_reduced": "Ba3Tb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2248740775,
"spacegroup": 194
},
{
"id": "jvasp-35236",
"created_at": "2022-09-04T14:38:04.830155Z",
"updated_at": "2022-09-04T14:38:04.830174Z",
"structure_string": "Al1 Si1\n1.0\n3.199908 0.000000 -0.000000\n0.000000 3.199908 0.000000\n0.000000 0.000000 3.199908\nAl Si\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Si\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Si"
],
"chemical_system": "Al-Si",
"density": 2.790797610911487,
"density_atomic": 0.061040420834937284,
"volume": 32.76517384125363,
"volume_molar": 9.865824444894962,
"formula_full": "Al1 Si1",
"formula_reduced": "AlSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.7736206999999995,
"spacegroup": 221
},
{
"id": "jvasp-123569",
"created_at": "2022-09-04T14:38:26.046834Z",
"updated_at": "2022-09-04T14:38:26.046865Z",
"structure_string": "Er1 P3\n1.0\n3.476850 -0.000000 -1.113331\n-0.040078 3.978681 -0.125161\n-0.146962 -0.194561 5.526684\nEr P\n1 3\ndirect\n0.339699 -0.020008 0.679397 Er\n0.621784 0.074217 0.243566 P\n0.124216 0.450245 0.248431 P\n0.914302 0.495547 0.828605 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Er",
"P"
],
"chemical_system": "Er-P",
"density": 5.706669643125985,
"density_atomic": 0.052834699203305406,
"volume": 75.7078219487574,
"volume_molar": 11.398079010210864,
"formula_full": "Er1 P3",
"formula_reduced": "ErP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3747866250000005,
"spacegroup": 8
}
]
}