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=474",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=472",
"results": [
{
"id": "jvasp-86757",
"created_at": "2022-09-04T14:36:07.645115Z",
"updated_at": "2022-09-04T14:36:07.645135Z",
"structure_string": "Tc4 Br12\n1.0\n11.284376 0.000000 0.000000\n0.000000 5.923023 -0.000000\n0.000000 -0.000000 6.533106\nTc Br\n4 12\ndirect\n0.250000 0.030197 0.239057 Tc\n0.250000 0.469803 0.239057 Tc\n0.750000 0.530197 0.760944 Tc\n0.750000 0.969802 0.760944 Tc\n0.750000 0.749999 0.093517 Br\n0.099506 0.749999 0.088913 Br\n0.400494 0.749999 0.088913 Br\n0.082568 0.249999 0.403895 Br\n0.417432 0.249999 0.403895 Br\n0.750000 0.249999 0.460197 Br\n0.250000 0.749999 0.539804 Br\n0.582568 0.749999 0.596105 Br\n0.917433 0.749999 0.596105 Br\n0.599506 0.249999 0.911088 Br\n0.900495 0.249999 0.911088 Br\n0.250000 0.249999 0.906484 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tc",
"Br"
],
"chemical_system": "Br-Tc",
"density": 5.137063205316981,
"density_atomic": 0.036642011804290636,
"volume": 436.6572470272078,
"volume_molar": 16.43507128419961,
"formula_full": "Tc4 Br12",
"formula_reduced": "TcBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.20344095375,
"spacegroup": 59
},
{
"id": "jvasp-91556",
"created_at": "2022-09-04T14:36:01.084949Z",
"updated_at": "2022-09-04T14:36:01.084978Z",
"structure_string": "Th2 Se6\n1.0\n0.000000 -4.244832 0.000000\n-5.776561 0.000000 0.008038\n-1.209371 0.000000 -9.601324\nTh Se\n2 6\ndirect\n0.750000 0.282890 0.341192 Th\n0.250000 0.717110 0.658807 Th\n0.750000 0.763772 0.438511 Se\n0.250000 0.236228 0.561488 Se\n0.750000 0.463768 0.832596 Se\n0.250000 0.536232 0.167404 Se\n0.750000 0.877700 0.844272 Se\n0.250000 0.122299 0.155728 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Se"
],
"chemical_system": "Se-Th",
"density": 6.613615536802781,
"density_atomic": 0.0339744847608668,
"volume": 235.47082630712111,
"volume_molar": 17.72548076118743,
"formula_full": "Th2 Se6",
"formula_reduced": "ThSe3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.532158925,
"spacegroup": 11
},
{
"id": "jvasp-90798",
"created_at": "2022-09-04T14:36:05.026653Z",
"updated_at": "2022-09-04T14:36:05.026679Z",
"structure_string": "Pb4 S4\n1.0\n0.000000 4.233305 -0.000000\n0.000000 -0.000000 4.233195\n11.975915 0.000000 0.000000\nPb S\n4 4\ndirect\n0.250000 0.250047 0.624985 Pb\n0.250000 0.249953 0.124985 Pb\n0.750001 0.749952 0.375015 Pb\n0.750001 0.750046 0.875015 Pb\n0.250000 0.250047 0.875021 S\n0.250000 0.249953 0.375022 S\n0.750001 0.749952 0.124979 S\n0.750001 0.750046 0.624980 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 7.405113576827716,
"density_atomic": 0.03727635577193032,
"volume": 214.61325374580005,
"volume_molar": 16.155390287735063,
"formula_full": "Pb4 S4",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy_above_hull": 0.3970554099999999,
"spacegroup": 225
},
{
"id": "jvasp-85863",
"created_at": "2022-09-04T14:36:00.484680Z",
"updated_at": "2022-09-04T14:36:00.484705Z",
"structure_string": "Eu2 Pd4\n1.0\n4.728291 0.000000 2.729880\n1.576096 4.457875 2.729880\n0.000000 0.000000 5.459760\nEu Pd\n2 4\ndirect\n0.125000 0.125000 0.125000 Eu\n0.875000 0.875001 0.874999 Eu\n0.500000 -0.000000 0.500000 Pd\n0.000000 0.500001 0.500000 Pd\n0.500000 0.500001 0.500000 Pd\n0.500000 0.500001 -0.000000 Pd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Eu",
"Pd"
],
"chemical_system": "Eu-Pd",
"density": 10.527689042491636,
"density_atomic": 0.05213694913978767,
"volume": 115.08153236801449,
"volume_molar": 11.550619779944657,
"formula_full": "Eu2 Pd4",
"formula_reduced": "EuPd2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1591238,
"spacegroup": 227
},
{
"id": "jvasp-13890",
"created_at": "2022-09-04T14:36:07.609845Z",
"updated_at": "2022-09-04T14:36:07.609861Z",
"structure_string": "Np4 Si4\n1.0\n2.597401 -0.000000 0.000000\n-0.000000 5.528894 0.000000\n0.000000 0.000000 9.596315\nNp Si\n4 4\ndirect\n0.250000 0.432747 0.727762 Np\n0.750000 0.567252 0.272238 Np\n0.750000 0.932747 0.772238 Np\n0.250000 0.067252 0.227762 Np\n0.250000 0.805061 0.509986 Si\n0.750000 0.194938 0.490014 Si\n0.750000 0.305062 0.990013 Si\n0.250000 0.694938 0.009986 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Np",
"Si"
],
"chemical_system": "Np-Si",
"density": 12.7765411822665,
"density_atomic": 0.058050802063587204,
"volume": 137.81032674168785,
"volume_molar": 10.373914822750454,
"formula_full": "Np4 Si4",
"formula_reduced": "NpSi",
"formula_anonymous": "AB",
"energy_above_hull": 3.4637693,
"spacegroup": 62
},
{
"id": "jvasp-93914",
"created_at": "2022-09-04T14:36:01.500909Z",
"updated_at": "2022-09-04T14:36:01.500923Z",
"structure_string": "Zn2 Sb4\n1.0\n0.000000 0.000000 3.232521\n6.942763 0.000000 0.000000\n0.000000 6.942763 0.000000\nZn Sb\n2 4\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.250000 0.353014 0.146986 Sb\n0.750000 0.146986 0.646986 Sb\n0.750000 0.853014 0.353014 Sb\n0.250000 0.646986 0.853014 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zn",
"Sb"
],
"chemical_system": "Sb-Zn",
"density": 6.584635455444515,
"density_atomic": 0.038507490309757586,
"volume": 155.81384171587086,
"volume_molar": 15.638881452822238,
"formula_full": "Zn2 Sb4",
"formula_reduced": "ZnSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8409867222222223,
"spacegroup": 118
},
{
"id": "jvasp-117545",
"created_at": "2022-09-04T14:38:51.690314Z",
"updated_at": "2022-09-04T14:38:51.690336Z",
"structure_string": "Ba1 C1\n1.0\n4.637983 0.000000 0.000000\n-0.000000 4.637983 -0.000000\n0.000000 0.000000 4.770406\nBa C\n1 1\ndirect\n0.000000 0.000000 0.749995 Ba\n0.000000 0.000000 0.250006 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"C"
],
"chemical_system": "Ba-C",
"density": 2.4166007633030504,
"density_atomic": 0.01949020235662349,
"volume": 102.61566111037972,
"volume_molar": 30.898297769358226,
"formula_full": "Ba1 C1",
"formula_reduced": "BaC",
"formula_anonymous": "AB",
"energy_above_hull": 3.139462985,
"spacegroup": 123
},
{
"id": "jvasp-105873",
"created_at": "2022-09-04T14:36:07.855590Z",
"updated_at": "2022-09-04T14:36:07.855630Z",
"structure_string": "Tm5 Mg1\n1.0\n5.300367 0.003679 3.672872\n1.925354 4.938311 3.672872\n0.005380 0.003679 6.448554\nTm Mg\n5 1\ndirect\n0.662088 0.337912 -0.000000 Tm\n-0.000000 0.662088 0.337912 Tm\n0.337913 0.000000 0.662087 Tm\n0.832800 0.832800 0.832799 Tm\n0.167200 0.167200 0.167199 Tm\n0.500000 0.500000 0.499999 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tm",
"Mg"
],
"chemical_system": "Mg-Tm",
"density": 8.55847159503232,
"density_atomic": 0.035586932910446206,
"volume": 168.60121143619986,
"volume_molar": 16.922337126255286,
"formula_full": "Tm5 Mg1",
"formula_reduced": "Tm5Mg",
"formula_anonymous": "AB5",
"energy_above_hull": 1.2153383246527776,
"spacegroup": 155
},
{
"id": "jvasp-13767",
"created_at": "2022-09-04T14:36:01.562394Z",
"updated_at": "2022-09-04T14:36:01.562413Z",
"structure_string": "Ta2 O4\n1.0\n4.982613 -0.000000 0.000000\n-0.000000 4.982613 0.000000\n0.000000 0.000000 2.894916\nTa O\n2 4\ndirect\n0.500000 0.500000 0.500001 Ta\n0.000000 0.000000 0.000000 Ta\n0.713181 0.713181 0.000000 O\n0.213182 0.786818 0.500001 O\n0.286818 0.286818 0.000000 O\n0.786818 0.213182 0.500001 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 9.840103953125602,
"density_atomic": 0.0834835618745969,
"volume": 71.87043611067739,
"volume_molar": 7.213564712351436,
"formula_full": "Ta2 O4",
"formula_reduced": "TaO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4798787333333334,
"spacegroup": 136
},
{
"id": "jvasp-90628",
"created_at": "2022-09-04T14:35:52.994567Z",
"updated_at": "2022-09-04T14:35:52.994579Z",
"structure_string": "N6 Cl2\n1.0\n0.000000 0.000000 4.138048\n5.595359 0.000000 0.000000\n-2.797679 5.823188 0.000000\nN Cl\n6 2\ndirect\n0.572548 0.230613 0.461228 N\n0.072548 0.769387 0.538773 N\n0.399323 0.318313 0.636625 N\n0.899323 0.681688 0.363375 N\n0.276083 0.406235 0.812469 N\n0.776083 0.593765 0.187531 N\n0.332548 0.105633 0.211268 Cl\n0.832548 0.894367 0.788733 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"N",
"Cl"
],
"chemical_system": "Cl-N",
"density": 1.9082959807280129,
"density_atomic": 0.05933428254017325,
"volume": 134.82930369274237,
"volume_molar": 10.14951306763103,
"formula_full": "N6 Cl2",
"formula_reduced": "N3Cl",
"formula_anonymous": "AB3",
"energy_above_hull": 4.0731959543750005,
"spacegroup": 36
},
{
"id": "jvasp-91703",
"created_at": "2022-09-04T14:35:52.840180Z",
"updated_at": "2022-09-04T14:35:52.840210Z",
"structure_string": "Er2 H6\n1.0\n-1.779485 -3.082923 -0.000000\n-1.779485 3.082923 0.000000\n0.000000 0.000000 -6.030119\nEr H\n2 6\ndirect\n0.666636 0.333366 0.750000 Er\n0.333366 0.666636 0.250000 Er\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.666696 0.333307 0.097176 H\n0.333307 0.666696 0.902824 H\n0.333307 0.666696 0.597176 H\n0.666696 0.333307 0.402824 H\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Er",
"H"
],
"chemical_system": "Er-H",
"density": 8.547459254983425,
"density_atomic": 0.12091414222917668,
"volume": 66.16264940156515,
"volume_molar": 4.980509846884439,
"formula_full": "Er2 H6",
"formula_reduced": "ErH3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.1535925,
"spacegroup": 194
},
{
"id": "jvasp-94400",
"created_at": "2022-09-04T14:36:03.442108Z",
"updated_at": "2022-09-04T14:36:03.442125Z",
"structure_string": "Y3 Mg3\n1.0\n3.447689 -0.000000 0.000000\n-1.723844 2.985787 -0.000000\n-0.000000 0.000000 16.427269\nY Mg\n3 3\ndirect\n0.666668 0.333333 0.000000 Y\n0.000000 0.000000 0.822568 Y\n0.000000 0.000000 0.177432 Y\n0.666668 0.333333 0.654101 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.345899 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 3.3350790204025995,
"density_atomic": 0.03548125522161184,
"volume": 169.10337479676775,
"volume_molar": 16.972738766952865,
"formula_full": "Y3 Mg3",
"formula_reduced": "YMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.9558051928571428,
"spacegroup": 187
}
]
}