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=684",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=682",
"results": [
{
"id": "jvasp-69304",
"created_at": "2022-09-04T14:36:19.979900Z",
"updated_at": "2022-09-04T14:36:19.979922Z",
"structure_string": "Ba1 La1 Si2\n1.0\n5.144044 0.000000 -0.000000\n0.000000 5.144044 -0.000000\n-0.000000 -0.000000 4.271460\nBa La Si\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 La\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"La",
"Si"
],
"chemical_system": "Ba-La-Si",
"density": 4.88347482336793,
"density_atomic": 0.035389489519349386,
"volume": 113.02790897317067,
"volume_molar": 17.01674944112252,
"formula_full": "Ba1 La1 Si2",
"formula_reduced": "BaLaSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9097495425,
"spacegroup": 123
},
{
"id": "jvasp-123719",
"created_at": "2022-09-04T14:38:53.082728Z",
"updated_at": "2022-09-04T14:38:53.082755Z",
"structure_string": "Tm1 Se2\n1.0\n2.128640 -3.579265 -0.579508\n2.035416 3.525441 -0.000000\n-0.705956 0.407584 5.861674\nTm Se\n1 2\ndirect\n0.000000 0.333359 0.166667 Tm\n0.770890 0.718766 0.426842 Se\n0.229110 -0.052125 0.906490 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Tm",
"Se"
],
"chemical_system": "Se-Tm",
"density": 6.402722236338935,
"density_atomic": 0.0353901770771806,
"volume": 84.76928480627424,
"volume_molar": 17.016418840930427,
"formula_full": "Tm1 Se2",
"formula_reduced": "TmSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-55652",
"created_at": "2022-09-04T14:38:12.588560Z",
"updated_at": "2022-09-04T14:38:12.588586Z",
"structure_string": "K8 Cd2 Cl12\n1.0\n8.534477 0.008841 0.040875\n0.040722 8.534384 0.040875\n0.008875 0.008841 8.534569\nK Cd Cl\n8 2 12\ndirect\n0.629458 0.870541 0.250001 K\n0.249999 0.629458 0.870542 K\n0.870541 0.250000 0.629459 K\n0.370541 0.129458 0.750000 K\n0.750000 0.370541 0.129459 K\n0.129458 0.750000 0.370542 K\n0.750000 0.749999 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Cd\n0.000000 0.000000 0.000000 Cd\n0.942227 0.070708 0.298792 Cl\n0.570708 0.442227 0.798792 Cl\n0.201208 0.429291 0.557773 Cl\n0.557773 0.201208 0.429292 Cl\n0.429291 0.557772 0.201209 Cl\n0.929291 0.701208 0.057774 Cl\n0.057772 0.929291 0.701209 Cl\n0.701208 0.057773 0.929292 Cl\n0.798791 0.570708 0.442228 Cl\n0.442227 0.798791 0.570709 Cl\n0.298791 0.942227 0.070709 Cl\n0.070708 0.298791 0.942227 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl-K",
"density": 2.5725935326205835,
"density_atomic": 0.035391457371574474,
"volume": 621.6189338862843,
"volume_molar": 17.015803267928806,
"formula_full": "K8 Cd2 Cl12",
"formula_reduced": "K4CdCl6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-99684",
"created_at": "2022-09-04T14:36:48.917266Z",
"updated_at": "2022-09-04T14:36:48.917293Z",
"structure_string": "Na2 Lu1 Ag1 Cl6\n1.0\n6.378732 0.000000 3.682762\n2.126244 6.013926 3.682762\n0.000000 0.000000 7.365525\nNa Lu Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Lu\n0.499999 0.500000 0.499999 Ag\n0.755416 0.244584 0.244583 Cl\n0.244583 0.244584 0.755416 Cl\n0.244583 0.755417 0.755416 Cl\n0.244583 0.755417 0.244583 Cl\n0.755416 0.244584 0.755416 Cl\n0.755415 0.755417 0.244583 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Lu",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Lu-Na",
"density": 3.1825678480991475,
"density_atomic": 0.035391898220393854,
"volume": 282.55054130545915,
"volume_molar": 17.01559131555669,
"formula_full": "Na2 Lu1 Ag1 Cl6",
"formula_reduced": "Na2LuAgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-7801",
"created_at": "2022-09-04T14:37:03.048192Z",
"updated_at": "2022-09-04T14:37:03.048208Z",
"structure_string": "Ge2 Te5 As2\n1.0\n2.091715 -3.622957 0.000000\n2.091715 3.622957 -0.000000\n0.000000 0.000000 16.778087\nGe Te As\n2 5 2\ndirect\n0.333332 0.666666 0.106883 Ge\n0.666666 0.333332 0.893117 Ge\n0.666666 0.333332 0.210727 Te\n0.333332 0.666666 0.415155 Te\n0.666666 0.333332 0.584845 Te\n0.000000 0.000000 0.000000 Te\n0.333332 0.666666 0.789274 Te\n0.000000 -0.000000 0.322533 As\n0.000000 -0.000000 0.677468 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ge",
"Te",
"As"
],
"chemical_system": "As-Ge-Te",
"density": 6.093263463243547,
"density_atomic": 0.035391941008956485,
"volume": 254.29517973378202,
"volume_molar": 17.015570743848166,
"formula_full": "Ge2 Te5 As2",
"formula_reduced": "Ge2Te5As2",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.4149704703703705,
"spacegroup": 164
},
{
"id": "jvasp-12732",
"created_at": "2022-09-04T14:37:12.190367Z",
"updated_at": "2022-09-04T14:37:12.190392Z",
"structure_string": "Nd4 S4 Br4\n1.0\n0.000000 6.934201 -0.067211\n7.105196 0.000000 0.000000\n0.000000 -1.168919 -6.870484\nNd S Br\n4 4 4\ndirect\n0.289165 0.035816 0.682899 Nd\n0.210835 0.535817 0.317100 Nd\n0.710835 0.964184 0.317100 Nd\n0.789165 0.464184 0.682899 Nd\n0.007329 0.759904 0.555108 S\n0.507329 0.740097 0.555108 S\n0.992670 0.240097 0.444892 S\n0.492671 0.259903 0.444892 S\n0.782752 0.610849 0.087155 Br\n0.282752 0.889152 0.087155 Br\n0.217248 0.389151 0.912844 Br\n0.717247 0.110849 0.912844 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"S",
"Br"
],
"chemical_system": "Br-Nd-S",
"density": 5.019164660444367,
"density_atomic": 0.03539205899816059,
"volume": 339.05910929408395,
"volume_molar": 17.015514017743318,
"formula_full": "Nd4 S4 Br4",
"formula_reduced": "NdSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3097285350000001,
"spacegroup": 14
},
{
"id": "jvasp-90459",
"created_at": "2022-09-04T14:35:45.187298Z",
"updated_at": "2022-09-04T14:35:45.187323Z",
"structure_string": "Rb1 Mg6 C1\n1.0\n11.167767 3.100194 0.000000\n-2.899038 5.021280 0.000000\n0.000000 0.000000 3.474014\nRb Mg C\n1 6 1\ndirect\n0.079747 0.289873 0.250000 Rb\n0.584598 0.287129 0.250000 Mg\n0.584598 0.797468 0.250000 Mg\n0.372005 0.167355 0.749999 Mg\n0.372005 0.704650 0.749999 Mg\n0.780974 0.140487 0.749999 Mg\n0.801203 0.650602 0.749999 Mg\n0.424869 0.962434 0.250000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"C"
],
"chemical_system": "C-Mg-Rb",
"density": 1.7874488358503926,
"density_atomic": 0.03539298789646594,
"volume": 226.03347373220268,
"volume_molar": 17.015067441088586,
"formula_full": "Rb1 Mg6 C1",
"formula_reduced": "RbMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0368617874999999,
"spacegroup": 38
},
{
"id": "jvasp-29619",
"created_at": "2022-09-04T14:38:09.518071Z",
"updated_at": "2022-09-04T14:38:09.518084Z",
"structure_string": "In2 Sb4 Se8 Br2\n1.0\n4.003904 0.000116 0.693532\n1.270325 9.586660 4.571958\n0.021968 -0.007854 11.776928\nIn Sb Se Br\n2 4 8 2\ndirect\n0.662410 0.112242 0.562822 In\n0.337588 0.887759 0.437178 In\n0.703568 0.687822 0.904968 Sb\n0.296430 0.312179 0.095033 Sb\n0.048608 0.678109 0.224713 Sb\n0.951390 0.321891 0.775287 Sb\n0.098067 0.828200 0.975622 Se\n0.678854 0.499200 0.143107 Se\n0.321144 0.500800 0.856893 Se\n0.462816 0.860676 0.213702 Se\n0.213792 0.916199 0.656193 Se\n0.537182 0.139325 0.786298 Se\n0.786206 0.083802 0.343807 Se\n0.901931 0.171801 0.024378 Se\n0.102159 0.327373 0.468194 Br\n0.897839 0.672628 0.531806 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"In",
"Sb",
"Se",
"Br"
],
"chemical_system": "Br-In-Sb-Se",
"density": 5.540196460780698,
"density_atomic": 0.0353954534773725,
"volume": 452.0354573286773,
"volume_molar": 17.01388220340168,
"formula_full": "In2 Sb4 Se8 Br2",
"formula_reduced": "InSb2Se4Br",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.1415137177083332,
"spacegroup": 12
},
{
"id": "jvasp-38129",
"created_at": "2022-09-04T14:38:32.938896Z",
"updated_at": "2022-09-04T14:38:32.938924Z",
"structure_string": "Sr6 Sn2 N1 F1\n1.0\n-0.000000 5.207956 5.207956\n5.207956 0.000000 5.207956\n5.207956 5.207956 -0.000000\nSr Sn N F\n6 2 1 1\ndirect\n0.242398 0.757602 0.757602 Sr\n0.242398 0.757602 0.242398 Sr\n0.757602 0.242398 0.757602 Sr\n0.757602 0.757602 0.242398 Sr\n0.242398 0.242398 0.757602 Sr\n0.757602 0.242398 0.242398 Sr\n0.250000 0.250000 0.250000 Sn\n0.750001 0.750001 0.750001 Sn\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Sn",
"N",
"F"
],
"chemical_system": "F-N-Sn-Sr",
"density": 4.679607311930933,
"density_atomic": 0.035397132797075966,
"volume": 282.5087573428,
"volume_molar": 17.01307502651025,
"formula_full": "Sr6 Sn2 N1 F1",
"formula_reduced": "Sr6Sn2NF",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1624494792499999,
"spacegroup": 225
},
{
"id": "jvasp-51574",
"created_at": "2022-09-04T14:37:50.034330Z",
"updated_at": "2022-09-04T14:37:50.034358Z",
"structure_string": "Rb8 Cu4 Cl12\n1.0\n4.187218 -0.000000 0.000000\n0.000000 12.472052 0.000000\n0.000000 0.000000 12.982358\nRb Cu Cl\n8 4 12\ndirect\n0.750000 0.328017 0.025834 Rb\n0.250000 0.171983 0.525834 Rb\n0.750000 0.828017 0.474166 Rb\n0.250000 0.513929 0.326926 Rb\n0.750000 0.986071 0.826926 Rb\n0.250000 0.671983 0.974166 Rb\n0.750000 0.486071 0.673074 Rb\n0.250000 0.013929 0.173074 Rb\n0.750000 0.744238 0.192118 Cu\n0.250000 0.255762 0.807882 Cu\n0.750000 0.244238 0.307882 Cu\n0.250000 0.755762 0.692118 Cu\n0.250000 0.138898 0.949883 Cl\n0.250000 0.936456 0.639353 Cl\n0.750000 0.361102 0.449883 Cl\n0.250000 0.638898 0.550117 Cl\n0.250000 0.774803 0.280350 Cl\n0.250000 0.436456 0.860647 Cl\n0.750000 0.861102 0.050117 Cl\n0.750000 0.063544 0.360647 Cl\n0.250000 0.274804 0.219650 Cl\n0.750000 0.725196 0.780350 Cl\n0.750000 0.225196 0.719650 Cl\n0.750000 0.563544 0.139353 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Rb",
"density": 3.3392070126620497,
"density_atomic": 0.03539925935580315,
"volume": 677.9802865018298,
"volume_molar": 17.012052990913116,
"formula_full": "Rb8 Cu4 Cl12",
"formula_reduced": "Rb2CuCl3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-61405",
"created_at": "2022-09-04T14:36:13.218424Z",
"updated_at": "2022-09-04T14:36:13.218449Z",
"structure_string": "Ca4 Al8 Cl32\n1.0\n-5.667272 5.667272 9.674580\n5.667272 -5.667272 9.674580\n5.667272 5.667272 -9.674580\nCa Al Cl\n4 8 32\ndirect\n0.375000 0.625000 0.250000 Ca\n0.875000 0.125000 0.250000 Ca\n0.125000 0.875000 0.750000 Ca\n0.625000 0.375000 0.750000 Ca\n0.250000 0.774509 0.024509 Al\n0.750000 0.725491 0.475491 Al\n0.225491 0.250000 0.975491 Al\n0.774509 0.750000 0.024509 Al\n0.750000 0.225491 0.975491 Al\n0.250000 0.274509 0.524509 Al\n0.274509 0.750000 0.524509 Al\n0.725491 0.250000 0.475491 Al\n0.131515 0.099031 0.714416 Cl\n0.368485 0.582902 0.467516 Cl\n0.400969 0.368485 0.785583 Cl\n0.582901 0.115386 0.714416 Cl\n0.384614 0.917098 0.785583 Cl\n0.099031 0.384614 0.467516 Cl\n0.615385 0.082902 0.214416 Cl\n0.884614 0.599031 0.967516 Cl\n0.631515 0.417098 0.532484 Cl\n0.599031 0.631515 0.214416 Cl\n0.417098 0.884614 0.285584 Cl\n0.115386 0.400969 0.032484 Cl\n0.868485 0.900969 0.285584 Cl\n0.917098 0.131515 0.032484 Cl\n0.309301 0.751620 0.882495 Cl\n0.748380 0.190699 0.617505 Cl\n0.751620 0.869125 0.942318 Cl\n0.926806 0.309301 0.557681 Cl\n0.190699 0.573194 0.942318 Cl\n0.630875 0.748380 0.557681 Cl\n0.900969 0.615386 0.532484 Cl\n0.573194 0.630875 0.882495 Cl\n0.690699 0.248380 0.117505 Cl\n0.130875 0.073194 0.382495 Cl\n0.248380 0.130875 0.057681 Cl\n0.073194 0.690699 0.442319 Cl\n0.809301 0.426806 0.057681 Cl\n0.369125 0.251620 0.442319 Cl\n0.251620 0.809301 0.382495 Cl\n0.426806 0.369125 0.117505 Cl\n0.869125 0.926806 0.617505 Cl\n0.082902 0.868485 0.967516 Cl\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Cl"
],
"chemical_system": "Al-Ca-Cl",
"density": 2.018253389514176,
"density_atomic": 0.03540074900449885,
"volume": 1242.9115551879518,
"volume_molar": 17.011337130846258,
"formula_full": "Ca4 Al8 Cl32",
"formula_reduced": "Ca(AlCl4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.2423507781818182,
"spacegroup": 142
},
{
"id": "jvasp-56197",
"created_at": "2022-09-04T14:37:28.677623Z",
"updated_at": "2022-09-04T14:37:28.677650Z",
"structure_string": "Nd3 Ga1\n1.0\n4.834428 0.000000 0.000000\n0.000000 4.834428 0.000000\n-0.000000 -0.000000 4.834428\nNd Ga\n3 1\ndirect\n0.500000 0.500000 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Ga"
],
"chemical_system": "Ga-Nd",
"density": 7.384239836151568,
"density_atomic": 0.03540174761161558,
"volume": 112.98877230251676,
"volume_molar": 17.010857277633633,
"formula_full": "Nd3 Ga1",
"formula_reduced": "Nd3Ga",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0681085000000003,
"spacegroup": 221
}
]
}