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=-formula_full&page=3802",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=3800",
"results": [
{
"id": "jvasp-10597",
"created_at": "2022-09-04T14:37:33.510662Z",
"updated_at": "2022-09-04T14:37:33.510685Z",
"structure_string": "Ca2 Ni4 O8\n1.0\n6.180154 -0.100053 -0.070748\n3.003429 5.202091 0.000000\n3.003429 1.734031 4.904577\nCa Ni O\n2 4 8\ndirect\n0.965022 0.011660 0.011659 Ca\n0.132261 0.622579 0.622579 Ca\n0.272740 0.242420 0.242420 Ni\n0.619288 0.120525 0.630094 Ni\n0.619288 0.630094 0.120525 Ni\n0.619288 0.630094 0.630094 Ni\n0.435263 0.362060 0.362060 O\n0.435263 0.362059 0.840618 O\n0.435263 0.840618 0.362060 O\n0.900447 0.366518 0.366517 O\n0.402235 0.865922 0.865922 O\n0.804547 0.443887 0.875783 O\n0.804547 0.875783 0.443887 O\n0.804547 0.875783 0.875783 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 4.599955100637272,
"density_atomic": 0.08755935084557688,
"volume": 159.89154630315787,
"volume_molar": 6.87778141551196,
"formula_full": "Ca2 Ni4 O8",
"formula_reduced": "Ca(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6238098885714285,
"spacegroup": 160
},
{
"id": "jvasp-58580",
"created_at": "2022-09-04T14:38:18.773804Z",
"updated_at": "2022-09-04T14:38:18.773827Z",
"structure_string": "Ca2 Ni4 O8\n1.0\n3.069044 -0.000000 0.000000\n-1.534522 4.806890 -0.000000\n0.000000 -0.000000 9.508172\nCa Ni O\n2 4 8\ndirect\n0.393529 0.787059 0.750000 Ca\n0.606470 0.212941 0.250000 Ca\n0.860550 0.721103 0.069800 Ni\n0.139449 0.278897 0.930200 Ni\n0.860550 0.721103 0.430200 Ni\n0.139449 0.278897 0.569800 Ni\n0.234119 0.468240 0.395335 O\n0.765880 0.531760 0.604664 O\n0.765880 0.531760 0.895335 O\n0.234119 0.468240 0.104665 O\n0.937673 0.875348 0.250000 O\n0.062326 0.124652 0.750000 O\n0.499999 0.000000 0.000000 O\n0.499999 0.000000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 5.243421458449444,
"density_atomic": 0.09980762182830799,
"volume": 140.26984857011433,
"volume_molar": 6.033748374807952,
"formula_full": "Ca2 Ni4 O8",
"formula_reduced": "Ca(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6112770314285711,
"spacegroup": 63
},
{
"id": "jvasp-11505",
"created_at": "2022-09-04T14:37:07.331611Z",
"updated_at": "2022-09-04T14:37:07.331635Z",
"structure_string": "Ca2 Ni4 O8\n1.0\n5.275491 0.000006 3.045879\n1.758498 4.973714 3.045886\n0.000090 0.000072 6.091603\nCa Ni O\n2 4 8\ndirect\n0.874998 0.874993 0.874997 Ca\n0.125002 0.125006 0.125004 Ca\n0.500000 0.000000 0.500000 Ni\n0.000000 0.499999 0.500000 Ni\n0.500000 0.500000 1.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.728687 0.728687 0.728686 O\n0.271309 0.271310 0.686068 O\n0.271310 0.686068 0.271310 O\n0.686068 0.271311 0.271310 O\n0.728690 0.313932 0.728690 O\n0.313932 0.728689 0.728690 O\n0.271314 0.271313 0.271313 O\n0.728690 0.728690 0.313933 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 4.601609734833729,
"density_atomic": 0.08759084652172132,
"volume": 159.8340529398605,
"volume_molar": 6.875308321750941,
"formula_full": "Ca2 Ni4 O8",
"formula_reduced": "Ca(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6206227457142854,
"spacegroup": 227
},
{
"id": "jvasp-11510",
"created_at": "2022-09-04T14:37:14.034164Z",
"updated_at": "2022-09-04T14:37:14.034185Z",
"structure_string": "Ca2 Ni4 O8\n1.0\n5.029019 -0.000000 -2.640300\n-1.386190 4.834203 -2.640300\n0.134447 0.178418 6.365659\nCa Ni O\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Ca\n0.625000 0.375000 0.250000 Ca\n0.000000 0.000000 0.500000 Ni\n-0.000000 0.500000 -0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.778144 0.808367 0.556287 O\n0.752082 0.221857 0.943713 O\n0.191633 0.221857 0.943713 O\n0.221857 0.191633 0.443713 O\n0.221857 0.752081 0.443713 O\n0.247919 0.778143 0.056287 O\n0.778144 0.247919 0.556287 O\n0.808368 0.778143 0.056287 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 4.611376102184287,
"density_atomic": 0.08777674763741174,
"volume": 159.4955426900893,
"volume_molar": 6.860747204802192,
"formula_full": "Ca2 Ni4 O8",
"formula_reduced": "Ca(NiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.619364174285714,
"spacegroup": 141
},
{
"id": "jvasp-58617",
"created_at": "2022-09-04T14:37:29.681123Z",
"updated_at": "2022-09-04T14:37:29.681144Z",
"structure_string": "Ca2 Ni4 O10\n1.0\n3.658714 -0.000000 -0.000000\n-1.829356 5.647666 0.000000\n0.000000 -0.000000 11.059971\nCa Ni O\n2 4 10\ndirect\n0.918045 0.836091 0.750000 Ca\n0.081955 0.163911 0.250000 Ca\n0.228948 0.457899 0.597913 Ni\n0.771050 0.542103 0.402085 Ni\n0.771050 0.542103 0.097914 Ni\n0.228948 0.457899 0.902086 Ni\n0.702861 0.405724 0.250000 O\n0.297139 0.594278 0.750000 O\n0.217616 0.435231 0.071539 O\n0.782384 0.564771 0.928461 O\n0.782384 0.564771 0.571539 O\n0.217616 0.435231 0.428460 O\n0.077913 0.155826 0.633598 O\n0.922086 0.844174 0.366401 O\n0.077913 0.155826 0.866401 O\n0.922086 0.844174 0.133599 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 3.4508127448516803,
"density_atomic": 0.0700113621410445,
"volume": 228.53433372381025,
"volume_molar": 8.601662038610002,
"formula_full": "Ca2 Ni4 O10",
"formula_reduced": "CaNi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.85360409,
"spacegroup": 63
},
{
"id": "jvasp-20660",
"created_at": "2022-09-04T14:38:06.086254Z",
"updated_at": "2022-09-04T14:38:06.086283Z",
"structure_string": "Ca2 Ni4\n1.0\n4.391569 -0.000000 2.535473\n1.463857 4.140410 2.535473\n-0.000000 0.000000 5.070947\nCa Ni\n2 4\ndirect\n0.875001 0.875000 0.874999 Ca\n0.125000 0.125000 0.125000 Ca\n0.500001 0.500000 0.499999 Ni\n0.500001 0.500000 -0.000001 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Ni"
],
"chemical_system": "Ca-Ni",
"density": 5.6716633925470745,
"density_atomic": 0.06507274382286272,
"volume": 92.20450295338482,
"volume_molar": 9.254474924851985,
"formula_full": "Ca2 Ni4",
"formula_reduced": "CaNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3843950733333334,
"spacegroup": 227
},
{
"id": "jvasp-20754",
"created_at": "2022-09-04T14:37:38.621353Z",
"updated_at": "2022-09-04T14:37:38.621385Z",
"structure_string": "Ca2 Ni4\n1.0\n4.391569 -0.000000 2.535473\n1.463857 4.140410 2.535473\n0.000000 0.000000 5.070947\nCa Ni\n2 4\ndirect\n0.875001 0.875000 0.874999 Ca\n0.125000 0.125000 0.125000 Ca\n0.500001 0.500000 0.499999 Ni\n0.500001 0.500000 -0.000001 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Ni"
],
"chemical_system": "Ca-Ni",
"density": 5.6716633925470745,
"density_atomic": 0.06507274382286272,
"volume": 92.20450295338482,
"volume_molar": 9.254474924851985,
"formula_full": "Ca2 Ni4",
"formula_reduced": "CaNi2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3843950733333334,
"spacegroup": 227
},
{
"id": "jvasp-11576",
"created_at": "2022-09-04T14:37:07.011608Z",
"updated_at": "2022-09-04T14:37:07.011623Z",
"structure_string": "Ca2 Ni3 O8\n1.0\n4.725916 0.010668 -1.456266\n-0.852841 5.068741 -2.730532\n0.002476 -0.016602 6.171466\nCa Ni O\n2 3 8\ndirect\n0.664709 0.722138 0.444276 Ca\n0.335292 0.277863 0.555725 Ca\n0.500001 0.999999 0.000000 Ni\n1.000000 0.747530 -0.000000 Ni\n1.000000 0.252471 -0.000000 Ni\n0.035764 0.397270 0.794542 O\n0.964238 0.602729 0.205459 O\n0.099337 0.905102 0.810206 O\n0.900664 0.094897 0.189794 O\n0.389253 0.322335 0.199571 O\n0.389253 0.877236 0.199571 O\n0.610750 0.122763 0.800430 O\n0.610750 0.677666 0.800430 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 4.320552423841686,
"density_atomic": 0.08803202269836105,
"volume": 147.67353516962902,
"volume_molar": 6.840852425525512,
"formula_full": "Ca2 Ni3 O8",
"formula_reduced": "Ca2Ni3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.9065512338461537,
"spacegroup": 12
},
{
"id": "jvasp-11053",
"created_at": "2022-09-04T14:37:33.923078Z",
"updated_at": "2022-09-04T14:37:33.923101Z",
"structure_string": "Ca2 Ni2 W2 O12\n1.0\n0.000000 5.233687 0.004043\n5.312172 0.000000 0.000000\n0.000000 -5.213652 -7.457449\nCa Ni W O\n2 2 2 12\ndirect\n0.762174 0.700651 0.251101 Ca\n0.762174 0.299348 0.751102 Ca\n0.001790 0.747849 0.999806 Ni\n0.001789 0.252151 0.499806 Ni\n0.502082 0.235642 0.000568 W\n0.502082 0.764358 0.500568 W\n0.166096 0.962828 0.461826 O\n0.832202 0.457960 0.036933 O\n0.251603 0.460083 0.461175 O\n0.752044 0.953583 0.040358 O\n0.752045 0.046416 0.540358 O\n0.322862 0.759631 0.248192 O\n0.674757 0.258766 0.252811 O\n0.166096 0.037172 0.961826 O\n0.322862 0.240368 0.748192 O\n0.674757 0.741234 0.752811 O\n0.251603 0.539917 0.961175 O\n0.832203 0.542040 0.536933 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Ni",
"W",
"O"
],
"chemical_system": "Ca-Ni-O-W",
"density": 6.067825672622076,
"density_atomic": 0.08686342512824549,
"volume": 207.22185400155163,
"volume_molar": 6.932884296363963,
"formula_full": "Ca2 Ni2 W2 O12",
"formula_reduced": "CaNiWO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 2.8073204244444443,
"spacegroup": 7
},
{
"id": "jvasp-98175",
"created_at": "2022-09-04T14:35:50.653931Z",
"updated_at": "2022-09-04T14:35:50.653951Z",
"structure_string": "Ca2 Ni2 P4 O14\n1.0\n6.415412 0.001241 0.250216\n0.701924 5.949435 2.606828\n-0.030286 0.016003 6.506179\nCa Ni P O\n2 2 4 14\ndirect\n0.127343 0.738717 0.801606 Ca\n0.872656 0.261282 0.198396 Ca\n0.354331 0.898974 0.220189 Ni\n0.645668 0.101025 0.779813 Ni\n0.375469 0.362435 0.324215 P\n0.624530 0.637563 0.675787 P\n0.859757 0.766230 0.254791 P\n0.140242 0.233769 0.745211 P\n0.730494 0.796708 0.745224 O\n0.269504 0.203290 0.254778 O\n0.326419 0.049695 0.864525 O\n0.774220 0.598535 0.484677 O\n0.938843 0.618303 0.134772 O\n0.621247 0.397253 0.853530 O\n0.378751 0.602746 0.146471 O\n0.409098 0.744424 0.562006 O\n0.590901 0.255575 0.437995 O\n0.031162 0.886612 0.304539 O\n0.968836 0.113387 0.695463 O\n0.225779 0.401464 0.515324 O\n0.061156 0.381696 0.865230 O\n0.673580 0.950304 0.135477 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ca",
"Ni",
"P",
"O"
],
"chemical_system": "Ca-Ni-O-P",
"density": 3.6505302272401488,
"density_atomic": 0.08867290778601077,
"volume": 248.1028371494407,
"volume_molar": 6.791410037587677,
"formula_full": "Ca2 Ni2 P4 O14",
"formula_reduced": "CaNiP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.3642825745454545,
"spacegroup": 2
},
{
"id": "jvasp-107391",
"created_at": "2022-09-04T14:36:50.896929Z",
"updated_at": "2022-09-04T14:36:50.896949Z",
"structure_string": "Ca2 Ni2 O6\n1.0\n5.189821 0.000000 0.000000\n-2.594911 4.494517 0.000000\n-0.000000 -0.000000 4.840677\nCa Ni O\n2 2 6\ndirect\n0.333334 0.666667 0.327490 Ca\n0.666667 0.333334 0.827490 Ca\n0.000000 0.000000 0.971546 Ni\n0.000000 0.000000 0.471545 Ni\n0.159364 0.840637 0.717834 O\n0.159364 0.318729 0.717834 O\n0.318728 0.159364 0.217833 O\n0.681272 0.840637 0.717834 O\n0.840637 0.681272 0.217833 O\n0.840636 0.159364 0.217833 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 4.316916938421722,
"density_atomic": 0.08856425806634308,
"volume": 112.91236688855956,
"volume_molar": 6.799741669476689,
"formula_full": "Ca2 Ni2 O6",
"formula_reduced": "CaNiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.299620664,
"spacegroup": 186
},
{
"id": "jvasp-108182",
"created_at": "2022-09-04T14:38:17.090153Z",
"updated_at": "2022-09-04T14:38:17.090169Z",
"structure_string": "Ca2 Ni2 N2\n1.0\n3.552811 0.000000 0.000000\n0.000000 3.552811 0.000000\n-0.000000 -0.000000 6.976908\nCa Ni N\n2 2 2\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 N\n-0.000000 0.500000 -0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"N"
],
"chemical_system": "Ca-N-Ni",
"density": 4.253012517306792,
"density_atomic": 0.0681308872257499,
"volume": 88.06578402713527,
"volume_molar": 8.839075792519472,
"formula_full": "Ca2 Ni2 N2",
"formula_reduced": "CaNiN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4152620233333328,
"spacegroup": 131
}
]
}