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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=1257",
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"results": [
{
"id": "jvasp-122663",
"created_at": "2022-09-04T14:38:52.090194Z",
"updated_at": "2022-09-04T14:38:52.090214Z",
"structure_string": "Ga3 Fe1\n1.0\n4.153805 -0.038638 0.005047\n-2.044426 3.616063 -0.005047\n-0.002288 0.001349 4.654981\nGa Fe\n3 1\ndirect\n0.249963 0.750035 0.375006 Ga\n0.916689 0.083309 -0.006910 Ga\n0.583331 0.416667 0.756904 Ga\n0.250010 0.749987 0.875000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga",
"density": 6.327141496424591,
"density_atomic": 0.0575108284287977,
"volume": 69.55211930136376,
"volume_molar": 10.471316314728137,
"formula_full": "Ga3 Fe1",
"formula_reduced": "Ga3Fe",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5060056187499999,
"spacegroup": 164
},
{
"id": "jvasp-122669",
"created_at": "2022-09-04T14:38:54.686819Z",
"updated_at": "2022-09-04T14:38:54.686846Z",
"structure_string": "Ga3 Hg1\n1.0\n4.744481 -0.138386 -0.025996\n-2.417621 4.084649 0.025996\n-0.030143 0.017774 4.703397\nGa Hg\n3 1\ndirect\n0.360307 0.639692 0.437940 Ga\n0.835217 0.164782 0.077606 Ga\n0.664686 0.335313 0.558236 Ga\n0.139790 0.860210 0.926219 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg",
"density": 7.596363999763761,
"density_atomic": 0.044656857603208665,
"volume": 89.57190932558125,
"volume_molar": 13.485366152515173,
"formula_full": "Ga3 Hg1",
"formula_reduced": "Ga3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-122670",
"created_at": "2022-09-04T14:38:52.109996Z",
"updated_at": "2022-09-04T14:38:52.110022Z",
"structure_string": "Ho1 Ga3\n1.0\n5.420489 -0.833908 -0.891932\n-3.353450 4.339524 0.891932\n-0.826235 0.487178 4.031964\nHo Ga\n1 3\ndirect\n0.101042 0.898958 0.850999 Ho\n0.366283 0.633717 0.617608 Ga\n0.864591 0.135408 0.113937 Ga\n0.668084 0.331916 0.417454 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ho",
"Ga"
],
"chemical_system": "Ga-Ho",
"density": 7.756904204977358,
"density_atomic": 0.04994734446494329,
"volume": 80.08433767299668,
"volume_molar": 12.056978853453922,
"formula_full": "Ho1 Ga3",
"formula_reduced": "HoGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0161325,
"spacegroup": 107
},
{
"id": "jvasp-122674",
"created_at": "2022-09-04T14:38:52.155394Z",
"updated_at": "2022-09-04T14:38:52.155414Z",
"structure_string": "K1 Ga3\n1.0\n5.663885 -0.654142 -0.772078\n-3.313961 4.639521 0.772078\n-0.962129 0.567306 4.445723\nK Ga\n1 3\ndirect\n0.063445 0.936556 0.929587 K\n0.427705 0.572296 0.312361 Ga\n0.812443 0.187559 0.182495 Ga\n0.696410 0.303592 0.575555 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ga"
],
"chemical_system": "Ga-K",
"density": 3.9948899930469643,
"density_atomic": 0.03876110928367627,
"volume": 103.19622100403993,
"volume_molar": 15.536554219659925,
"formula_full": "K1 Ga3",
"formula_reduced": "KGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0234774999999999,
"spacegroup": 8
},
{
"id": "jvasp-122684",
"created_at": "2022-09-04T14:38:54.138989Z",
"updated_at": "2022-09-04T14:38:54.139015Z",
"structure_string": "Nb1 Ga3\n1.0\n5.038009 -0.751568 -0.883372\n-3.096263 4.044693 0.883372\n-0.727271 0.428825 3.727708\nNb Ga\n1 3\ndirect\n0.124962 0.875037 -0.125045 Nb\n0.375017 0.624984 0.625123 Ga\n0.874973 0.125026 0.124885 Ga\n0.625048 0.374952 0.375038 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nb",
"Ga"
],
"chemical_system": "Ga-Nb",
"density": 7.784779034359507,
"density_atomic": 0.06207859130606527,
"volume": 64.43445181091259,
"volume_molar": 9.700833464968813,
"formula_full": "Nb1 Ga3",
"formula_reduced": "NbGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.97182409375,
"spacegroup": 139
},
{
"id": "jvasp-12270",
"created_at": "2022-09-04T14:37:01.030231Z",
"updated_at": "2022-09-04T14:37:01.030258Z",
"structure_string": "Cd2 In4 O8\n1.0\n5.689515 -0.000000 3.284843\n1.896505 5.364127 3.284843\n0.000000 0.000000 6.569687\nCd In O\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Cd\n0.875001 0.875001 0.874999 Cd\n0.500001 0.500000 -0.000001 In\n0.500001 0.500000 0.499999 In\n0.000000 0.500000 0.500000 In\n0.500000 -0.000000 0.500000 In\n0.736948 0.736947 0.736946 O\n0.263053 0.263053 0.710840 O\n0.263054 0.710840 0.263052 O\n0.710841 0.263053 0.263052 O\n0.736948 0.289160 0.736946 O\n0.289161 0.736947 0.736946 O\n0.263053 0.263053 0.263053 O\n0.736948 0.736947 0.289159 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"In",
"O"
],
"chemical_system": "Cd-In-O",
"density": 6.725643681277904,
"density_atomic": 0.06982469678202816,
"volume": 200.50212382165896,
"volume_molar": 8.624657230949852,
"formula_full": "Cd2 In4 O8",
"formula_reduced": "CdIn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.874883384285714,
"spacegroup": 227
},
{
"id": "jvasp-122705",
"created_at": "2022-09-04T14:38:52.178874Z",
"updated_at": "2022-09-04T14:38:52.178902Z",
"structure_string": "Ga3 S1\n1.0\n4.889106 0.314750 -0.038924\n-2.091112 4.430539 0.038924\n0.029751 -0.017542 3.586992\nGa S\n3 1\ndirect\n0.355739 0.644262 0.249911 Ga\n0.894259 0.105742 0.249984 Ga\n0.624994 0.375007 0.750021 Ga\n0.125010 0.874991 0.750083 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"S"
],
"chemical_system": "Ga-S",
"density": 5.0030121473025195,
"density_atomic": 0.0499578722492808,
"volume": 80.06746124095757,
"volume_molar": 12.054438047222268,
"formula_full": "Ga3 S1",
"formula_reduced": "Ga3S",
"formula_anonymous": "AB3",
"energy_above_hull": 0.09019924375,
"spacegroup": 65
},
{
"id": "jvasp-122713",
"created_at": "2022-09-04T14:38:55.012266Z",
"updated_at": "2022-09-04T14:38:55.012293Z",
"structure_string": "Ta1 Ga3\n1.0\n5.187539 -1.377657 -0.098519\n-3.716497 3.872485 0.098519\n0.077072 -0.045445 4.691693\nTa Ga\n1 3\ndirect\n0.174491 0.825505 -0.000106 Ta\n0.322480 0.677518 0.500043 Ga\n0.912453 0.087546 0.000183 Ga\n0.590572 0.409427 0.499880 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ga"
],
"chemical_system": "Ga-Ta",
"density": 9.220935115896935,
"density_atomic": 0.056936546017642885,
"volume": 70.25364690651455,
"volume_molar": 10.576933764359229,
"formula_full": "Ta1 Ga3",
"formula_reduced": "TaGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.35136904375,
"spacegroup": 38
},
{
"id": "jvasp-122714",
"created_at": "2022-09-04T14:38:55.024906Z",
"updated_at": "2022-09-04T14:38:55.024922Z",
"structure_string": "Tb1 Ga3\n1.0\n5.540326 -0.887392 -0.808039\n-3.458258 4.418498 0.808038\n-0.843334 0.497260 3.979875\nTb Ga\n1 3\ndirect\n0.096656 0.903346 0.846825 Tb\n0.363219 0.636782 0.613312 Ga\n0.863681 0.136320 0.113521 Ga\n0.676447 0.323555 0.426340 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Ga"
],
"chemical_system": "Ga-Tb",
"density": 7.456758362980321,
"density_atomic": 0.04879797637827704,
"volume": 81.97061224408978,
"volume_molar": 12.340964127932203,
"formula_full": "Tb1 Ga3",
"formula_reduced": "TbGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0153249999999999,
"spacegroup": 107
},
{
"id": "jvasp-122722",
"created_at": "2022-09-04T14:38:54.930841Z",
"updated_at": "2022-09-04T14:38:54.930865Z",
"structure_string": "V1 Ga3\n1.0\n4.888433 -0.718772 0.803806\n-2.995164 3.929682 -0.803806\n0.754712 -0.445006 3.628311\nV Ga\n1 3\ndirect\n0.125029 0.874971 0.124970 V\n0.375067 0.624932 0.374712 Ga\n0.874917 0.125083 -0.124686 Ga\n0.624987 0.375012 0.625004 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"Ga"
],
"chemical_system": "Ga-V",
"density": 7.2881847914256666,
"density_atomic": 0.06749512182556909,
"volume": 59.26354219105484,
"volume_molar": 8.922334825268276,
"formula_full": "V1 Ga3",
"formula_reduced": "VGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7248702937500001,
"spacegroup": 139
},
{
"id": "jvasp-122726",
"created_at": "2022-09-04T14:38:55.024903Z",
"updated_at": "2022-09-04T14:38:55.024939Z",
"structure_string": "Yb1 Ga3\n1.0\n5.618954 -0.837017 -0.810666\n-3.452236 4.511685 0.810666\n-0.843017 0.497073 4.157473\nYb Ga\n1 3\ndirect\n0.063011 0.936984 0.936860 Yb\n0.436535 0.563462 0.321910 Ga\n0.812357 0.187641 0.179030 Ga\n0.688089 0.311907 0.562199 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ga"
],
"chemical_system": "Ga-Yb",
"density": 7.052066757498073,
"density_atomic": 0.044445357045225425,
"volume": 89.99815202136402,
"volume_molar": 13.549538490313317,
"formula_full": "Yb1 Ga3",
"formula_reduced": "YbGa3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0399212499999999,
"spacegroup": 8
},
{
"id": "jvasp-12274",
"created_at": "2022-09-04T14:36:43.530737Z",
"updated_at": "2022-09-04T14:36:43.530764Z",
"structure_string": "In2 Ga2 S6\n1.0\n3.730781 0.000000 -0.745961\n0.000000 6.220325 0.000000\n0.026595 0.000000 9.835389\nIn Ga S\n2 2 6\ndirect\n0.333921 0.503339 0.667841 In\n0.666080 0.003338 0.332159 In\n0.886270 0.056407 0.772538 Ga\n0.113731 0.556407 0.227462 Ga\n0.898763 0.695705 0.797525 S\n0.101238 0.195704 0.202475 S\n0.563525 0.708177 0.127050 S\n0.436476 0.208177 0.872950 S\n0.780003 0.242274 0.560004 S\n0.219998 0.742274 0.439996 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"In",
"Ga",
"S"
],
"chemical_system": "Ga-In-S",
"density": 4.082611778793598,
"density_atomic": 0.04378858217119543,
"volume": 228.3700340171804,
"volume_molar": 13.752764902174487,
"formula_full": "In2 Ga2 S6",
"formula_reduced": "InGaS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.877734459,
"spacegroup": 36
}
]
}