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=elements&page=4465",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4463",
"results": [
{
"id": "jvasp-117369",
"created_at": "2022-09-04T14:38:27.085549Z",
"updated_at": "2022-09-04T14:38:27.085586Z",
"structure_string": "Sr2 Nd2 Ni2 O8\n1.0\n6.673053 0.046773 0.000000\n-4.533049 4.897274 0.000000\n-0.000000 -0.000000 5.401607\nSr Nd Ni O\n2 2 2 8\ndirect\n0.894273 0.105725 0.250000 Sr\n0.105725 0.894273 0.750000 Sr\n0.383395 0.616603 0.750000 Nd\n0.616603 0.383395 0.250000 Nd\n0.250822 0.749177 0.250000 Ni\n0.749176 0.250822 0.750000 Ni\n0.578503 0.421496 0.750000 O\n0.092016 0.907982 0.250000 O\n0.421496 0.578503 0.250000 O\n0.907982 0.092016 0.750000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Nd",
"Ni",
"O"
],
"chemical_system": "Nd-Ni-O-Sr",
"density": 6.627499785128059,
"density_atomic": 0.07879841835971634,
"volume": 177.66854070712085,
"volume_molar": 7.642464005443371,
"formula_full": "Sr2 Nd2 Ni2 O8",
"formula_reduced": "SrNdNiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.5466677442857146,
"spacegroup": 63
},
{
"id": "jvasp-110996",
"created_at": "2022-09-04T14:38:36.166039Z",
"updated_at": "2022-09-04T14:38:36.166078Z",
"structure_string": "Sr1 Nd1 V1 O4\n1.0\n3.704468 0.006470 -5.724499\n-0.317714 3.690824 -5.724499\n-0.005927 -0.006470 6.818573\nSr Nd V O\n1 1 1 4\ndirect\n0.643896 0.643895 0.000000 Sr\n0.359069 0.359068 0.000000 Nd\n0.002097 0.002097 0.000000 V\n0.993290 0.493289 0.500000 O\n0.493290 0.993288 0.499999 O\n0.835549 0.835547 0.000000 O\n0.172813 0.172813 0.000000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Nd",
"V",
"O"
],
"chemical_system": "Nd-O-Sr-V",
"density": 6.1944050224965865,
"density_atomic": 0.07529533582209433,
"volume": 92.9672458934163,
"volume_molar": 7.998026297709784,
"formula_full": "Sr1 Nd1 V1 O4",
"formula_reduced": "SrNdVO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.0117508585714288,
"spacegroup": 107
},
{
"id": "jvasp-59573",
"created_at": "2022-09-04T14:37:05.678574Z",
"updated_at": "2022-09-04T14:37:05.678604Z",
"structure_string": "Sr6 Ni2 Ir2 O12\n1.0\n6.696320 0.028220 -0.202586\n-0.209659 6.693097 -0.202586\n0.027235 0.028220 6.699329\nSr Ni Ir O\n6 2 2 12\ndirect\n0.385941 0.114059 0.750000 Sr\n0.885941 0.250001 0.614059 Sr\n0.249999 0.614059 0.885940 Sr\n0.114058 0.750000 0.385941 Sr\n0.614057 0.885942 0.249999 Sr\n0.749999 0.385941 0.114058 Sr\n0.250000 0.249999 0.250000 Ni\n0.750000 0.750000 0.749999 Ni\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.499999 Ir\n0.093339 0.287225 0.963060 O\n0.787224 0.593340 0.463060 O\n0.536938 0.212775 0.406660 O\n0.406660 0.536940 0.212776 O\n0.212776 0.406661 0.536939 O\n0.712776 0.036940 0.906661 O\n0.906661 0.712777 0.036938 O\n0.036939 0.906662 0.712775 O\n0.463060 0.787224 0.593339 O\n0.593338 0.463060 0.787224 O\n0.963060 0.093339 0.287223 O\n0.287223 0.963061 0.093338 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Ni",
"Ir",
"O"
],
"chemical_system": "Ir-Ni-O-Sr",
"density": 6.741874278950239,
"density_atomic": 0.07324204515382235,
"volume": 300.3739171099848,
"volume_molar": 8.222245497585913,
"formula_full": "Sr6 Ni2 Ir2 O12",
"formula_reduced": "Sr3NiIrO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.83588213,
"spacegroup": 167
},
{
"id": "jvasp-96464",
"created_at": "2022-09-04T14:35:47.786817Z",
"updated_at": "2022-09-04T14:35:47.786848Z",
"structure_string": "Sr2 Ni1 Mo1 O6\n1.0\n4.821677 0.000000 2.783796\n1.607225 4.545920 2.783796\n-0.000000 -0.000000 5.567593\nSr Ni Mo O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Sr\n0.249999 0.250001 0.250000 Sr\n0.500001 0.500000 0.500001 Ni\n0.000000 0.000000 0.000000 Mo\n0.244806 0.755195 0.755194 O\n0.244806 0.755195 0.244806 O\n0.755194 0.244804 0.755196 O\n0.244807 0.244804 0.755194 O\n0.755194 0.244804 0.244807 O\n0.755195 0.755195 0.244807 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ni",
"Mo",
"O"
],
"chemical_system": "Mo-Ni-O-Sr",
"density": 5.794801427192377,
"density_atomic": 0.08194314291095796,
"volume": 122.03583661498462,
"volume_molar": 7.349169858597993,
"formula_full": "Sr2 Ni1 Mo1 O6",
"formula_reduced": "Sr2NiMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.197907192,
"spacegroup": 225
},
{
"id": "jvasp-11720",
"created_at": "2022-09-04T14:38:10.353372Z",
"updated_at": "2022-09-04T14:38:10.353399Z",
"structure_string": "Sr2 Ni1 Mo1 O6\n1.0\n4.805988 -0.000000 -2.773170\n-1.600185 4.531768 -2.773170\n0.024061 0.034013 5.592746\nSr Ni Mo O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.249999 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Mo\n0.793842 0.720465 0.000000 O\n0.279534 0.793842 -0.000000 O\n0.720465 0.206158 0.000000 O\n0.206158 0.279535 0.000000 O\n0.242610 0.242610 0.485220 O\n0.757389 0.757390 0.514780 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ni",
"Mo",
"O"
],
"chemical_system": "Mo-Ni-O-Sr",
"density": 5.762752046462332,
"density_atomic": 0.081489938945582,
"volume": 122.71453543090612,
"volume_molar": 7.39004205662924,
"formula_full": "Sr2 Ni1 Mo1 O6",
"formula_reduced": "Sr2NiMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.193120192,
"spacegroup": 87
},
{
"id": "jvasp-34817",
"created_at": "2022-09-04T14:37:12.089956Z",
"updated_at": "2022-09-04T14:37:12.089977Z",
"structure_string": "Sr2 Ni1 N6 O12\n1.0\n6.105254 -0.000000 3.524870\n2.035084 5.756088 3.524870\n0.000000 0.000000 7.049740\nSr Ni N O\n2 1 6 12\ndirect\n0.250000 0.250001 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.000000 0.000000 0.000000 Ni\n0.202425 0.202425 0.797575 N\n0.202426 0.797575 0.797574 N\n0.797574 0.202425 0.202427 N\n0.797574 0.202425 0.797575 N\n0.202426 0.797575 0.202426 N\n0.797573 0.797575 0.202426 N\n0.607997 -0.000000 0.999999 O\n-0.000000 -0.000000 0.607998 O\n0.607997 -0.000000 0.392003 O\n0.392002 0.000000 0.000001 O\n0.392004 0.607997 0.000000 O\n0.999998 0.392003 0.607997 O\n-0.000000 0.607997 0.392004 O\n0.999998 0.392003 0.000001 O\n0.392002 -0.000000 0.607997 O\n0.607996 0.392003 0.000000 O\n-0.000000 -0.000000 0.392003 O\n-0.000000 0.607997 0.000000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"Ni",
"N",
"O"
],
"chemical_system": "N-Ni-O-Sr",
"density": 3.418112861202708,
"density_atomic": 0.08476470069551521,
"volume": 247.74463695016718,
"volume_molar": 7.10453845832859,
"formula_full": "Sr2 Ni1 N6 O12",
"formula_reduced": "Sr2Ni(NO2)6",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 3.637732215238095,
"spacegroup": 225
},
{
"id": "jvasp-111001",
"created_at": "2022-09-04T14:38:36.164038Z",
"updated_at": "2022-09-04T14:38:36.164065Z",
"structure_string": "Sr2 Ni1 O3 F1\n1.0\n3.662350 0.045268 -6.109430\n-0.241865 3.654635 -6.109430\n-0.041850 -0.045268 7.122934\nSr Ni O F\n2 1 3 1\ndirect\n0.634449 0.634449 -0.000001 Sr\n0.361376 0.361376 -0.000001 Sr\n0.977288 0.977288 -0.000002 Ni\n0.502804 0.002804 0.500000 O\n0.002803 0.502803 0.499998 O\n0.827808 0.827809 -0.000001 O\n0.175967 0.175967 -0.000000 F\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Ni",
"O",
"F"
],
"chemical_system": "F-Ni-O-Sr",
"density": 5.349445734220857,
"density_atomic": 0.07493629883234813,
"volume": 93.412673284823,
"volume_molar": 8.03634667555851,
"formula_full": "Sr2 Ni1 O3 F1",
"formula_reduced": "Sr2NiO3F",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.7705779717857146,
"spacegroup": 107
},
{
"id": "jvasp-55397",
"created_at": "2022-09-04T14:38:28.760728Z",
"updated_at": "2022-09-04T14:38:28.760754Z",
"structure_string": "Sr6 Ni2 Pt2 O12\n1.0\n6.707250 0.026011 -0.182319\n-0.188048 6.704664 -0.182319\n0.025193 0.026011 6.709681\nSr Ni Pt O\n6 2 2 12\ndirect\n0.886016 0.250000 0.613983 Sr\n0.386016 0.113983 0.750000 Sr\n0.750000 0.386016 0.113983 Sr\n0.113983 0.749999 0.386017 Sr\n0.613983 0.886016 0.250000 Sr\n0.249999 0.613983 0.886017 Sr\n0.749999 0.749999 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.091155 0.288157 0.963451 O\n0.788157 0.591155 0.463451 O\n0.536548 0.211842 0.408845 O\n0.408844 0.536548 0.211842 O\n0.211842 0.408844 0.536548 O\n0.711842 0.036548 0.908845 O\n0.908844 0.711842 0.036548 O\n0.036548 0.908844 0.711842 O\n0.463451 0.788157 0.591155 O\n0.591155 0.463451 0.788157 O\n0.963451 0.091155 0.288157 O\n0.288157 0.963451 0.091155 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Sr",
"Ni",
"Pt",
"O"
],
"chemical_system": "Ni-O-Pt-Sr",
"density": 6.740905321093462,
"density_atomic": 0.07288881021294469,
"volume": 301.82959408621144,
"volume_molar": 8.26209227782195,
"formula_full": "Sr6 Ni2 Pt2 O12",
"formula_reduced": "Sr3NiPtO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.6180048845454544,
"spacegroup": 167
},
{
"id": "jvasp-85964",
"created_at": "2022-09-04T14:36:10.215652Z",
"updated_at": "2022-09-04T14:36:10.215678Z",
"structure_string": "Sr2 Ni1 Te1 O6\n1.0\n4.958338 -0.031472 2.341052\n1.152916 4.764488 3.786085\n-0.014354 -0.027657 6.193733\nSr Ni Te O\n2 1 1 6\ndirect\n0.182410 0.304328 0.304330 Sr\n0.817592 0.695667 0.695675 Sr\n0.499999 0.000006 -0.000008 Ni\n-0.000002 -0.000002 0.000002 Te\n0.267457 0.746642 0.232685 O\n0.732550 0.253358 0.767311 O\n0.166857 0.799101 0.799103 O\n0.732549 0.767316 0.253356 O\n0.267452 0.232690 0.746641 O\n0.833145 0.200895 0.200901 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ni",
"Te",
"O"
],
"chemical_system": "Ni-O-Sr-Te",
"density": 5.1630202083381285,
"density_atomic": 0.06795717885934777,
"volume": 147.15148815546308,
"volume_molar": 8.861669747156716,
"formula_full": "Sr2 Ni1 Te1 O6",
"formula_reduced": "Sr2NiTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.6421243786666668,
"spacegroup": 12
},
{
"id": "jvasp-100062",
"created_at": "2022-09-04T14:36:34.524239Z",
"updated_at": "2022-09-04T14:36:34.524259Z",
"structure_string": "Sr2 Ni1 Te1 O6\n1.0\n4.913878 -0.030638 -3.827723\n-1.172060 4.752158 -3.852516\n0.014352 0.030638 6.228760\nSr Ni Te O\n2 1 1 6\ndirect\n0.303837 0.303837 0.000000 Sr\n0.696163 0.696163 0.000000 Sr\n0.000000 0.000000 0.000000 Ni\n-0.000000 0.500000 0.500000 Te\n0.755812 0.757639 0.513451 O\n0.244188 0.242361 0.486549 O\n0.797959 0.297959 0.500000 O\n0.755812 0.242361 -0.001827 O\n0.244188 0.757639 0.001827 O\n0.202041 0.702041 0.500000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ni",
"Te",
"O"
],
"chemical_system": "Ni-O-Sr-Te",
"density": 5.196352377591933,
"density_atomic": 0.06839590659938116,
"volume": 146.20758020759212,
"volume_molar": 8.804826281891097,
"formula_full": "Sr2 Ni1 Te1 O6",
"formula_reduced": "Sr2NiTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.642202378666667,
"spacegroup": 71
},
{
"id": "jvasp-86563",
"created_at": "2022-09-04T14:36:04.124714Z",
"updated_at": "2022-09-04T14:36:04.124749Z",
"structure_string": "Sr2 Ni1 Te1 O6\n1.0\n4.956259 -0.029385 2.344290\n1.155495 4.765341 3.789200\n-0.011806 -0.026826 6.196988\nSr Ni Te O\n2 1 1 6\ndirect\n0.182358 0.304315 0.304323 Sr\n0.817644 0.695690 0.695671 Sr\n0.499997 -0.000007 0.000007 Ni\n-0.000001 0.000004 -0.000001 Te\n0.267794 0.746324 0.232340 O\n0.732197 0.253668 0.767667 O\n0.166612 0.799121 0.799129 O\n0.732202 0.767659 0.253672 O\n0.267792 0.232343 0.746332 O\n0.833399 0.200883 0.200863 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Ni",
"Te",
"O"
],
"chemical_system": "Ni-O-Sr-Te",
"density": 5.163533869533427,
"density_atomic": 0.06796393981791726,
"volume": 147.1368497292988,
"volume_molar": 8.860788200528054,
"formula_full": "Sr2 Ni1 Te1 O6",
"formula_reduced": "Sr2NiTeO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.6421243786666668,
"spacegroup": 12
},
{
"id": "jvasp-13907",
"created_at": "2022-09-04T14:35:44.677495Z",
"updated_at": "2022-09-04T14:35:44.677528Z",
"structure_string": "Sr10 P6 Cl2 O24\n1.0\n4.961990 -8.594418 0.000000\n4.961990 8.594418 0.000000\n-0.000000 -0.000000 7.215029\nSr P Cl O\n10 6 2 24\ndirect\n0.990853 0.743252 0.750000 Sr\n0.333333 0.666667 0.498889 Sr\n0.333333 0.666667 0.001111 Sr\n0.256748 0.247599 0.750000 Sr\n0.247599 0.990853 0.250000 Sr\n0.752401 0.009147 0.750000 Sr\n0.743252 0.752401 0.250000 Sr\n0.666667 0.333333 0.998889 Sr\n0.666667 0.333333 0.501111 Sr\n0.009147 0.256748 0.250000 Sr\n0.372131 0.965593 0.750000 P\n0.965593 0.593461 0.250000 P\n0.406539 0.372131 0.250000 P\n0.593461 0.627869 0.750000 P\n0.627869 0.034407 0.250000 P\n0.034407 0.406539 0.750000 P\n0.000000 0.000000 0.000000 Cl\n0.000000 0.000000 0.500000 Cl\n0.910436 0.644269 0.424100 O\n0.119715 0.587774 0.750000 O\n0.145112 0.664464 0.250000 O\n0.266167 0.910436 0.575900 O\n0.266167 0.910436 0.924100 O\n0.355731 0.266167 0.075900 O\n0.355731 0.266167 0.424100 O\n0.412226 0.531942 0.750000 O\n0.335537 0.480649 0.250000 O\n0.910436 0.644269 0.075900 O\n0.089564 0.355731 0.575900 O\n0.880285 0.412226 0.250000 O\n0.664464 0.519352 0.750000 O\n0.587774 0.468059 0.250000 O\n0.644269 0.733833 0.575900 O\n0.644269 0.733833 0.924100 O\n0.733833 0.089564 0.075900 O\n0.733833 0.089564 0.424100 O\n0.854888 0.335537 0.750000 O\n0.480649 0.145112 0.750000 O\n0.519352 0.854888 0.250000 O\n0.468059 0.880285 0.750000 O\n0.089564 0.355731 0.924100 O\n0.531942 0.119715 0.250000 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Sr",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-O-P-Sr",
"density": 4.093317183102736,
"density_atomic": 0.06825097450178497,
"volume": 615.3758287935005,
"volume_molar": 8.82352347927648,
"formula_full": "Sr10 P6 Cl2 O24",
"formula_reduced": "Sr5P3ClO12",
"formula_anonymous": "AB3C5D12",
"energy_above_hull": 1.9733330532142856,
"spacegroup": 176
}
]
}