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_atomic&page=107",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=105",
"results": [
{
"id": "jvasp-64612",
"created_at": "2022-09-04T14:35:58.007107Z",
"updated_at": "2022-09-04T14:35:58.007132Z",
"structure_string": "Ba4 Sr1 Ru1\n1.0\n-0.000000 5.063516 5.063516\n5.063516 0.000000 5.063516\n5.063516 5.063516 0.000000\nBa Sr Ru\n4 1 1\ndirect\n0.132275 0.622575 0.622575 Ba\n0.622575 0.622575 0.622575 Ba\n0.622575 0.132275 0.622575 Ba\n0.622575 0.622575 0.132275 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Ru"
],
"chemical_system": "Ba-Ru-Sr",
"density": 4.7197362160845895,
"density_atomic": 0.023108124292873577,
"volume": 259.6489409506235,
"volume_molar": 26.060707843159715,
"formula_full": "Ba4 Sr1 Ru1",
"formula_reduced": "Ba4SrRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6979351149999999,
"spacegroup": 216
},
{
"id": "jvasp-91810",
"created_at": "2022-09-04T14:36:21.206632Z",
"updated_at": "2022-09-04T14:36:21.206657Z",
"structure_string": "K4 I4\n1.0\n-0.000000 4.846843 0.000000\n0.000000 0.000000 8.509034\n8.392757 0.000000 0.000000\nK I\n4 4\ndirect\n0.250000 0.500006 0.750069 K\n0.250000 0.000007 0.749931 K\n0.749999 0.499993 0.249931 K\n0.749999 -0.000007 0.250069 K\n0.250000 0.749892 0.416620 I\n0.250000 0.249892 0.083380 I\n0.749999 0.250108 0.583380 I\n0.749999 0.750108 0.916620 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"I"
],
"chemical_system": "I-K",
"density": 3.1855216687917562,
"density_atomic": 0.023112457569380945,
"volume": 346.1336803316964,
"volume_molar": 26.05582180917899,
"formula_full": "K4 I4",
"formula_reduced": "KI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0098699999999999,
"spacegroup": 194
},
{
"id": "jvasp-66494",
"created_at": "2022-09-04T14:35:57.509132Z",
"updated_at": "2022-09-04T14:35:57.509158Z",
"structure_string": "Ba1 In1 Br1\n1.0\n0.000000 4.018357 4.018357\n4.018357 0.000000 4.018357\n4.018357 4.018357 0.000000\nBa In Br\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"In",
"Br"
],
"chemical_system": "Ba-Br-In",
"density": 4.248892320668627,
"density_atomic": 0.02311775759420327,
"volume": 129.77037187863948,
"volume_molar": 26.04984819769042,
"formula_full": "Ba1 In1 Br1",
"formula_reduced": "BaInBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64588",
"created_at": "2022-09-04T14:35:56.218784Z",
"updated_at": "2022-09-04T14:35:56.218807Z",
"structure_string": "Ba4 Zn1 In1\n1.0\n0.000000 5.062657 5.062657\n5.062657 -0.000000 5.062657\n5.062657 5.062657 0.000000\nBa Zn In\n4 1 1\ndirect\n0.126201 0.624600 0.624600 Ba\n0.624600 0.624600 0.624600 Ba\n0.624600 0.126201 0.624600 Ba\n0.624600 0.624600 0.126201 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 In\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"In"
],
"chemical_system": "Ba-In-Zn",
"density": 4.667987889217862,
"density_atomic": 0.02311988881511641,
"volume": 259.51681895965856,
"volume_molar": 26.047446889375014,
"formula_full": "Ba4 Zn1 In1",
"formula_reduced": "Ba4ZnIn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-64745",
"created_at": "2022-09-04T14:35:58.749019Z",
"updated_at": "2022-09-04T14:35:58.749040Z",
"structure_string": "Ba4 Ti1 Cu1\n1.0\n-0.000000 5.062326 5.062326\n5.062326 0.000000 5.062326\n5.062326 5.062326 -0.000000\nBa Ti Cu\n4 1 1\ndirect\n0.125323 0.624893 0.624893 Ba\n0.624893 0.624893 0.624893 Ba\n0.624893 0.125323 0.624893 Ba\n0.624893 0.624893 0.125323 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Cu"
],
"chemical_system": "Ba-Cu-Ti",
"density": 4.228505354784082,
"density_atomic": 0.023124424190897695,
"volume": 259.4659201227479,
"volume_molar": 26.042338223368404,
"formula_full": "Ba4 Ti1 Cu1",
"formula_reduced": "Ba4TiCu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6070787772222221,
"spacegroup": 216
},
{
"id": "jvasp-115172",
"created_at": "2022-09-04T14:38:44.361436Z",
"updated_at": "2022-09-04T14:38:44.361464Z",
"structure_string": "La1 Se1\n1.0\n4.981097 0.000000 -0.000000\n-2.490548 4.313756 0.000000\n-0.000000 0.000000 4.024735\nLa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.333334 0.666667 0.000000 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"Se"
],
"chemical_system": "La-Se",
"density": 4.183306013904462,
"density_atomic": 0.023126618152562832,
"volume": 86.48043509026266,
"volume_molar": 26.039867654980256,
"formula_full": "La1 Se1",
"formula_reduced": "LaSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.4936041833333331,
"spacegroup": 187
},
{
"id": "jvasp-32735",
"created_at": "2022-09-04T14:37:03.818157Z",
"updated_at": "2022-09-04T14:37:03.818183Z",
"structure_string": "In4 I12\n1.0\n6.041749 0.000000 0.000000\n0.000000 9.404530 -2.982460\n0.000000 0.002737 12.175128\nIn I\n4 12\ndirect\n0.001879 0.790684 0.948629 In\n-0.001879 0.209316 0.051371 In\n0.498121 0.790684 0.448629 In\n0.501879 0.209317 0.551371 In\n0.783686 0.337455 0.723353 I\n0.255579 0.000614 0.624961 I\n0.776261 0.658069 0.555994 I\n0.283686 0.662545 0.776647 I\n0.716314 0.337455 0.223353 I\n0.744421 -0.000614 0.375039 I\n0.276261 0.341932 0.944007 I\n0.755579 -0.000613 0.875039 I\n0.723739 0.658069 0.055994 I\n0.216314 0.662545 0.276647 I\n0.223739 0.341931 0.444006 I\n0.244421 0.000614 0.124961 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"In",
"I"
],
"chemical_system": "I-In",
"density": 4.757469422376296,
"density_atomic": 0.023126808880064194,
"volume": 691.8377750677199,
"volume_molar": 26.03965290339392,
"formula_full": "In4 I12",
"formula_reduced": "InI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-69359",
"created_at": "2022-09-04T14:35:49.693742Z",
"updated_at": "2022-09-04T14:35:49.693767Z",
"structure_string": "Ba1 Na2 Ca1\n1.0\n4.423358 0.000000 0.000000\n-0.000000 4.419967 0.000000\n0.000000 0.000000 8.845214\nBa Na Ca\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.723953 Na\n0.000000 0.000000 0.276047 Na\n0.500000 0.500000 0.500000 Ca\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Ca"
],
"chemical_system": "Ba-Ca-Na",
"density": 2.1449775265939373,
"density_atomic": 0.023130260813784578,
"volume": 172.93363149697745,
"volume_molar": 26.035766775319193,
"formula_full": "Ba1 Na2 Ca1",
"formula_reduced": "BaNa2Ca",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-64159",
"created_at": "2022-09-04T14:36:11.268381Z",
"updated_at": "2022-09-04T14:36:11.268402Z",
"structure_string": "Ba4 Cd1 Pb1\n1.0\n-0.000000 5.061682 5.061682\n5.061682 0.000000 5.061682\n5.061682 5.061682 -0.000000\nBa Cd Pb\n4 1 1\ndirect\n0.122370 0.625876 0.625876 Ba\n0.625876 0.625876 0.625876 Ba\n0.625876 0.122370 0.625876 Ba\n0.625876 0.625876 0.122370 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Pb"
],
"chemical_system": "Ba-Cd-Pb",
"density": 5.563061025655493,
"density_atomic": 0.02313325170554086,
"volume": 259.36690943292183,
"volume_molar": 26.03240061818712,
"formula_full": "Ba4 Cd1 Pb1",
"formula_reduced": "Ba4CdPb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-66170",
"created_at": "2022-09-04T14:35:51.790587Z",
"updated_at": "2022-09-04T14:35:51.790614Z",
"structure_string": "Ba1 Y1 Te1\n1.0\n0.000000 4.017306 4.017306\n4.017306 0.000000 4.017306\n4.017306 4.017306 0.000000\nBa Y Te\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Y\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Te"
],
"chemical_system": "Ba-Te-Y",
"density": 4.531192492863551,
"density_atomic": 0.02313590641353077,
"volume": 129.66857430947613,
"volume_molar": 26.029413554672832,
"formula_full": "Ba1 Y1 Te1",
"formula_reduced": "BaYTe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0931397288888889,
"spacegroup": 216
},
{
"id": "jvasp-12899",
"created_at": "2022-09-04T14:38:33.425520Z",
"updated_at": "2022-09-04T14:38:33.425546Z",
"structure_string": "Rb4 I12\n1.0\n6.603756 0.000000 0.000000\n0.000000 9.734874 0.000000\n0.000000 0.000000 10.755909\nRb I\n4 12\ndirect\n0.250000 0.474845 0.830617 Rb\n0.750000 0.525154 0.169383 Rb\n0.750000 0.974845 0.669383 Rb\n0.250000 0.025155 0.330617 Rb\n0.250000 0.542730 0.374474 I\n0.750000 0.457269 0.625527 I\n0.750000 0.042730 0.125527 I\n0.250000 0.957269 0.874474 I\n0.250000 0.738896 0.578736 I\n0.750000 0.261104 0.421265 I\n0.750000 0.238896 0.921265 I\n0.250000 0.761103 0.078735 I\n0.250000 0.156523 0.655085 I\n0.750000 0.843477 0.344915 I\n0.750000 0.656522 0.844915 I\n0.250000 0.343477 0.155085 I\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Rb",
"I"
],
"chemical_system": "I-Rb",
"density": 4.47811643359675,
"density_atomic": 0.023139368926609744,
"volume": 691.4622456103531,
"volume_molar": 26.02551858307024,
"formula_full": "Rb4 I12",
"formula_reduced": "RbI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-30934",
"created_at": "2022-09-04T14:38:28.790075Z",
"updated_at": "2022-09-04T14:38:28.790099Z",
"structure_string": "Ba8 Bi6\n1.0\n8.700253 0.000000 -3.076004\n-4.350127 7.534640 -3.076004\n-0.000000 -0.000000 9.228012\nBa Bi\n8 6\ndirect\n0.645417 0.645417 0.645418 Ba\n0.354582 0.500000 0.000000 Ba\n0.500000 -0.000000 0.354583 Ba\n-0.000000 0.354583 0.500000 Ba\n0.500000 -0.000000 0.854583 Ba\n-0.000000 0.854583 0.500000 Ba\n0.145417 0.145417 0.145417 Ba\n0.854582 0.500000 0.000000 Ba\n0.749999 0.875000 0.125000 Bi\n0.625000 0.375000 0.250000 Bi\n0.875000 0.125000 0.750000 Bi\n0.125000 0.750000 0.875000 Bi\n0.375000 0.250000 0.625000 Bi\n0.250000 0.625000 0.375000 Bi\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ba",
"Bi"
],
"chemical_system": "Ba-Bi",
"density": 6.457670697337103,
"density_atomic": 0.023143311259358493,
"volume": 604.926401546745,
"volume_molar": 26.02108528253414,
"formula_full": "Ba8 Bi6",
"formula_reduced": "Ba4Bi3",
"formula_anonymous": "A3B4",
"energy_above_hull": 0.2762720428571428,
"spacegroup": 220
}
]
}