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=512",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=510",
"results": [
{
"id": "jvasp-39497",
"created_at": "2022-09-04T14:38:19.191972Z",
"updated_at": "2022-09-04T14:38:19.192000Z",
"structure_string": "Y1 Mg1 Tl1\n1.0\n4.386513 -0.000000 2.532554\n1.462171 4.135644 2.532554\n-0.000000 -0.000000 5.065109\nY Mg Tl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Tl"
],
"chemical_system": "Mg-Tl-Y",
"density": 5.739449354446858,
"density_atomic": 0.032649000533524895,
"volume": 91.88642687299163,
"volume_molar": 18.445099885420078,
"formula_full": "Y1 Mg1 Tl1",
"formula_reduced": "YMgTl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4786356999999999,
"spacegroup": 216
},
{
"id": "jvasp-13052",
"created_at": "2022-09-04T14:38:11.555374Z",
"updated_at": "2022-09-04T14:38:11.555400Z",
"structure_string": "Rb2 Mn2 Br6\n1.0\n3.715175 -6.434873 0.000000\n3.715175 6.434873 0.000000\n0.000000 0.000000 6.404964\nRb Mn Br\n2 2 6\ndirect\n0.333334 0.666668 0.750000 Rb\n0.666668 0.333334 0.250000 Rb\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.666968 0.833484 0.250000 Br\n0.833484 0.666968 0.750000 Br\n0.833484 0.166517 0.750000 Br\n0.166517 0.833484 0.250000 Br\n0.166517 0.333033 0.250000 Br\n0.333033 0.166517 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"Br"
],
"chemical_system": "Br-Mn-Rb",
"density": 4.122222289050936,
"density_atomic": 0.03265382460175344,
"volume": 306.24284052358826,
"volume_molar": 18.442374923752805,
"formula_full": "Rb2 Mn2 Br6",
"formula_reduced": "RbMnBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4270487268505745,
"spacegroup": 194
},
{
"id": "jvasp-113094",
"created_at": "2022-09-04T14:38:45.080857Z",
"updated_at": "2022-09-04T14:38:45.080881Z",
"structure_string": "K8 La1 P4 Se16\n1.0\n9.251756 0.037344 -7.133460\n-1.809546 8.200549 -8.121525\n0.072409 -0.037344 11.682294\nK La P Se\n8 1 4 16\ndirect\n0.839508 0.201361 0.872639 K\n0.671277 0.798639 0.638147 K\n0.160492 0.033132 0.361853 K\n0.328722 0.966868 0.127361 K\n0.746354 0.746354 0.000000 K\n0.253646 0.253646 0.000000 K\n0.788077 0.288077 0.500000 K\n0.211923 0.711923 0.500000 K\n0.500000 0.500000 0.000000 La\n0.872395 0.834902 0.452206 P\n0.617304 0.165098 0.037492 P\n0.382696 0.420189 0.547794 P\n0.127605 0.579812 0.962508 P\n-0.002188 0.720522 0.875814 Se\n0.011572 0.520666 0.017629 Se\n0.496962 0.479334 0.490906 Se\n0.844708 0.121998 0.124186 Se\n0.002187 0.878002 0.722709 Se\n0.155292 0.279479 0.277291 Se\n0.645395 0.876988 0.378838 Se\n0.615740 0.427847 0.258860 Se\n0.354605 0.733443 0.231593 Se\n0.498151 0.266557 0.621162 Se\n0.384260 0.643118 0.812106 Se\n0.168987 0.356882 0.741141 Se\n0.503038 -0.006055 0.982371 Se\n0.831013 0.572153 0.187894 Se\n0.501849 0.123012 0.768407 Se\n0.988429 0.006055 0.509094 Se\n",
"nsites": 29,
"nelements": 4,
"elements": [
"K",
"La",
"P",
"Se"
],
"chemical_system": "K-La-P-Se",
"density": 3.4386138387887297,
"density_atomic": 0.03265600950560716,
"volume": 888.0448174483962,
"volume_molar": 18.441141006423262,
"formula_full": "K8 La1 P4 Se16",
"formula_reduced": "K8La(PSe4)4",
"formula_anonymous": "AB4C8D16",
"energy_above_hull": 1.2389908574712645,
"spacegroup": 23
},
{
"id": "jvasp-28895",
"created_at": "2022-09-04T14:36:55.717280Z",
"updated_at": "2022-09-04T14:36:55.717304Z",
"structure_string": "Te4 W4 S4\n1.0\n3.367208 0.000001 -0.000002\n-1.683604 2.916091 0.000017\n-0.000026 0.000296 37.422719\nTe W S\n4 4 4\ndirect\n0.333368 0.666735 0.328563 Te\n0.666633 0.333265 0.422895 Te\n0.666656 0.333309 0.524561 Te\n0.333345 0.666692 0.226896 Te\n0.333309 0.666617 0.095478 W\n0.333312 0.666622 0.473717 W\n0.666689 0.333378 0.277742 W\n0.666693 0.333384 0.655980 W\n0.333343 0.666682 0.696482 S\n0.666659 0.333318 0.054976 S\n0.666624 0.333246 0.136054 S\n0.333378 0.666754 0.615405 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"W",
"S"
],
"chemical_system": "S-Te-W",
"density": 6.209201041199551,
"density_atomic": 0.03265688943988969,
"volume": 367.456919682689,
"volume_molar": 18.440644113043064,
"formula_full": "Te4 W4 S4",
"formula_reduced": "TeWS",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1064525888888888,
"spacegroup": 164
},
{
"id": "jvasp-65221",
"created_at": "2022-09-04T14:35:45.073067Z",
"updated_at": "2022-09-04T14:35:45.073088Z",
"structure_string": "Be1 Ga1 Br4\n1.0\n0.000000 4.512130 4.512130\n4.512130 -0.000000 4.512130\n4.512130 4.512130 0.000000\nBe Ga Br\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Ga\n0.123192 0.625603 0.625603 Br\n0.625603 0.625603 0.625603 Br\n0.625603 0.123192 0.625603 Br\n0.625603 0.625603 0.123192 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Br"
],
"chemical_system": "Be-Br-Ga",
"density": 3.6003141788520083,
"density_atomic": 0.03265701183147985,
"volume": 183.7277712658412,
"volume_molar": 18.44057500139965,
"formula_full": "Be1 Ga1 Br4",
"formula_reduced": "BeGaBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3016258074999999,
"spacegroup": 216
},
{
"id": "jvasp-114372",
"created_at": "2022-09-04T14:38:41.044646Z",
"updated_at": "2022-09-04T14:38:41.044677Z",
"structure_string": "Sr1 Pd1 O1\n1.0\n3.745141 0.000000 0.000000\n0.000000 3.745141 0.000000\n0.000000 0.000000 6.549073\nSr Pd O\n1 1 1\ndirect\n0.000000 0.000000 0.622220 Sr\n0.000000 0.000000 0.011163 Pd\n0.000000 0.000000 0.307017 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Pd",
"O"
],
"chemical_system": "O-Pd-Sr",
"density": 3.7969396040688794,
"density_atomic": 0.032659165034022226,
"volume": 91.85782909253167,
"volume_molar": 18.439359223441627,
"formula_full": "Sr1 Pd1 O1",
"formula_reduced": "SrPdO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0440451700000004,
"spacegroup": 99
},
{
"id": "jvasp-1121",
"created_at": "2022-09-04T14:37:18.770395Z",
"updated_at": "2022-09-04T14:37:18.770426Z",
"structure_string": "Sr1 Se1\n1.0\n3.831517 0.000000 2.212128\n1.277172 3.612390 2.212128\n0.000000 0.000000 4.424256\nSr Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500001 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Se"
],
"chemical_system": "Se-Sr",
"density": 4.517168786284397,
"density_atomic": 0.03266061505232776,
"volume": 61.235833948493195,
"volume_molar": 18.43854057969063,
"formula_full": "Sr1 Se1",
"formula_reduced": "SrSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-58913",
"created_at": "2022-09-04T14:36:53.213998Z",
"updated_at": "2022-09-04T14:36:53.214027Z",
"structure_string": "K2 Bi8 Se13\n1.0\n4.206069 0.000979 -0.000021\n-0.002585 12.207945 0.093506\n-2.102948 -0.457621 13.711145\nK Bi Se\n2 8 13\ndirect\n0.586677 0.049951 0.173342 K\n0.413324 0.950049 0.826658 K\n0.558920 0.377914 0.117825 Bi\n0.281115 0.133689 0.562267 Bi\n0.718886 0.866310 0.437733 Bi\n0.074961 0.705575 0.149960 Bi\n0.925039 0.294425 0.850040 Bi\n0.188755 0.450912 0.377504 Bi\n0.811246 0.549088 0.622496 Bi\n0.441081 0.622086 0.882175 Bi\n0.482298 0.195915 0.964525 Se\n0.517703 0.804085 0.035475 Se\n0.370491 0.430035 0.740954 Se\n0.746886 0.355964 0.493748 Se\n0.253115 0.644035 0.506252 Se\n0.000001 0.500000 0.000000 Se\n0.140632 0.882908 0.281253 Se\n0.708058 0.089997 0.416141 Se\n0.291943 0.910003 0.583859 Se\n0.111482 0.268302 0.222947 Se\n0.859368 0.117092 0.718747 Se\n0.629510 0.569964 0.259046 Se\n0.888519 0.731698 0.777053 Se\n",
"nsites": 23,
"nelements": 3,
"elements": [
"K",
"Bi",
"Se"
],
"chemical_system": "Bi-K-Se",
"density": 6.547064395860458,
"density_atomic": 0.0326606313960545,
"volume": 704.2117380124645,
"volume_molar": 18.438531352849147,
"formula_full": "K2 Bi8 Se13",
"formula_reduced": "K2Bi8Se13",
"formula_anonymous": "A2B8C13",
"energy_above_hull": 1.2732171376811592,
"spacegroup": 12
},
{
"id": "jvasp-37602",
"created_at": "2022-09-04T14:38:31.490432Z",
"updated_at": "2022-09-04T14:38:31.490473Z",
"structure_string": "Sr1 Ca1 In2\n1.0\n0.000004 3.941562 3.941558\n3.941553 0.000008 3.941555\n3.941559 3.941563 0.000002\nSr Ca In\n1 1 2\ndirect\n0.750001 0.750000 0.749998 Sr\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 In\n0.500001 0.500000 0.499999 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"In"
],
"chemical_system": "Ca-In-Sr",
"density": 4.844961597144703,
"density_atomic": 0.03266080554873903,
"volume": 122.47095357249793,
"volume_molar": 18.438433035625184,
"formula_full": "Sr1 Ca1 In2",
"formula_reduced": "SrCaIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99536",
"created_at": "2022-09-04T14:36:31.827073Z",
"updated_at": "2022-09-04T14:36:31.827099Z",
"structure_string": "La1 Pr1 Tl2\n1.0\n4.827363 -0.000000 2.787080\n1.609121 4.551282 2.787080\n-0.000000 -0.000000 5.574159\nLa Pr Tl\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Pr\n0.749999 0.750000 0.750001 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Pr",
"Tl"
],
"chemical_system": "La-Pr-Tl",
"density": 9.336417624374075,
"density_atomic": 0.03266156089961855,
"volume": 122.46812123564844,
"volume_molar": 18.4380066173455,
"formula_full": "La1 Pr1 Tl2",
"formula_reduced": "LaPrTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4652800125,
"spacegroup": 225
},
{
"id": "jvasp-10538",
"created_at": "2022-09-04T14:37:06.811782Z",
"updated_at": "2022-09-04T14:37:06.811807Z",
"structure_string": "K6 B2 As4\n1.0\n6.323052 0.008614 1.773704\n-0.117375 6.321968 1.773704\n-0.001563 -0.001595 9.189829\nK B As\n6 2 4\ndirect\n0.746516 0.852739 0.981569 K\n0.852738 0.746517 0.481570 K\n0.351843 0.648157 0.750000 K\n0.648156 0.351843 0.250000 K\n0.147261 0.253483 0.518430 K\n0.253483 0.147261 0.018430 K\n0.285136 0.714863 0.250000 B\n0.714863 0.285137 0.750000 B\n0.413233 0.855184 0.356723 As\n0.144816 0.586766 0.143277 As\n0.855183 0.413234 0.856723 As\n0.586766 0.144817 0.643277 As\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"B",
"As"
],
"chemical_system": "As-B-K",
"density": 2.512491925384466,
"density_atomic": 0.0326619083240582,
"volume": 367.4004556298692,
"volume_molar": 18.437810492426724,
"formula_full": "K6 B2 As4",
"formula_reduced": "K3BAs2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.098635013888889,
"spacegroup": 15
},
{
"id": "jvasp-100244",
"created_at": "2022-09-04T14:36:36.238458Z",
"updated_at": "2022-09-04T14:36:36.238479Z",
"structure_string": "Tl3 Sb1\n1.0\n4.965967 0.000000 0.000000\n0.000000 4.965967 0.000000\n-0.000000 -0.000000 4.965967\nTl Sb\n3 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Sb"
],
"chemical_system": "Sb-Tl",
"density": 9.964871611148105,
"density_atomic": 0.032662430873988776,
"volume": 122.46485925777989,
"volume_molar": 18.43751551509849,
"formula_full": "Tl3 Sb1",
"formula_reduced": "Tl3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0832916464285715,
"spacegroup": 221
}
]
}