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=energy_above_hull&page=4067",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4065",
"results": [
{
"id": "jvasp-95353",
"created_at": "2022-09-04T14:35:46.295075Z",
"updated_at": "2022-09-04T14:35:46.295096Z",
"structure_string": "K2 Ba1 Co1 N6 O12\n1.0\n6.421903 -0.000000 3.707688\n2.140635 6.054629 3.707688\n-0.000000 -0.000000 7.415375\nK Ba Co N O\n2 1 1 6 12\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Co\n0.185259 0.814740 0.185261 N\n0.814739 0.185260 0.814741 N\n0.814739 0.185260 0.185261 N\n0.814739 0.814740 0.185261 N\n0.185259 0.814740 0.814741 N\n0.185260 0.185260 0.814741 N\n0.350902 0.143132 0.649099 O\n0.143131 0.856868 0.649099 O\n0.350901 0.649098 0.856869 O\n0.649097 0.856868 0.350903 O\n0.856867 0.649098 0.143133 O\n0.856867 0.350902 0.649099 O\n0.350901 0.856868 0.143133 O\n0.649097 0.350902 0.143132 O\n0.856868 0.143132 0.350903 O\n0.143132 0.350902 0.856869 O\n0.649098 0.143132 0.856869 O\n0.143131 0.649098 0.350903 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Ba",
"Co",
"N",
"O"
],
"chemical_system": "Ba-Co-K-N-O",
"density": 3.1703993716968006,
"density_atomic": 0.07630241507822631,
"volume": 288.3263914706407,
"volume_molar": 7.892464155723009,
"formula_full": "K2 Ba1 Co1 N6 O12",
"formula_reduced": "K2BaCo(NO2)6",
"formula_anonymous": "ABC2D6E12",
"energy_above_hull": 3.483002925909091,
"spacegroup": 202
},
{
"id": "jvasp-110894",
"created_at": "2022-09-04T14:38:48.180612Z",
"updated_at": "2022-09-04T14:38:48.180640Z",
"structure_string": "Zr6 Ni2\n1.0\n6.040071 0.000000 0.000000\n-3.020036 5.230855 0.000000\n-0.000000 -0.000000 4.897734\nZr Ni\n6 2\ndirect\n0.825594 0.651187 0.749999 Zr\n0.174405 0.825594 0.250000 Zr\n0.651187 0.825594 0.250000 Zr\n0.174405 0.348812 0.250000 Zr\n0.825594 0.174405 0.749999 Zr\n0.348812 0.174405 0.749999 Zr\n0.666666 0.333333 0.250000 Ni\n0.333333 0.666666 0.749999 Ni\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Ni"
],
"chemical_system": "Ni-Zr",
"density": 7.1332095084258835,
"density_atomic": 0.05169875293295411,
"volume": 154.74261072360596,
"volume_molar": 11.648522291843008,
"formula_full": "Zr6 Ni2",
"formula_reduced": "Zr3Ni",
"formula_anonymous": "AB3",
"energy_above_hull": 3.483303975,
"spacegroup": 194
},
{
"id": "jvasp-15596",
"created_at": "2022-09-04T14:35:50.340796Z",
"updated_at": "2022-09-04T14:35:50.340828Z",
"structure_string": "Mn1 Fe2 Si1\n1.0\n3.423559 0.000000 1.976593\n1.141186 3.227763 1.976593\n0.000000 0.000000 3.953187\nMn Fe Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750001 0.749999 0.749999 Fe\n0.250000 0.250000 0.250000 Fe\n0.500001 0.500000 0.499999 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"Si"
],
"chemical_system": "Fe-Mn-Si",
"density": 7.401477904993981,
"density_atomic": 0.09156577533690746,
"volume": 43.68444416357951,
"volume_molar": 6.576846794385908,
"formula_full": "Mn1 Fe2 Si1",
"formula_reduced": "MnFe2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.483649210344828,
"spacegroup": 225
},
{
"id": "jvasp-80118",
"created_at": "2022-09-04T14:37:09.339480Z",
"updated_at": "2022-09-04T14:37:09.339512Z",
"structure_string": "Mn1 Fe2 Si1\n1.0\n-2.795334 -2.795334 -0.000000\n-2.795334 0.000000 -2.795334\n0.000000 -2.795334 -2.795334\nMn Fe Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Fe\n0.749999 0.749999 0.749999 Fe\n0.499999 0.499999 0.499999 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"Si"
],
"chemical_system": "Fe-Mn-Si",
"density": 7.401404583751556,
"density_atomic": 0.09156486825909171,
"volume": 43.68487691896864,
"volume_molar": 6.576911947232606,
"formula_full": "Mn1 Fe2 Si1",
"formula_reduced": "MnFe2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.483649210344828,
"spacegroup": 225
},
{
"id": "jvasp-93278",
"created_at": "2022-09-04T14:36:19.317240Z",
"updated_at": "2022-09-04T14:36:19.317272Z",
"structure_string": "Ho1 Co2 B2\n1.0\n3.335535 -0.000026 -1.195496\n-0.428522 3.307899 -1.195500\n0.007114 0.008090 5.270599\nHo Co B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.249999 0.750002 0.500000 Co\n0.750002 0.249997 0.499999 Co\n0.351880 0.351880 0.703725 B\n0.648121 0.648119 0.296274 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Co",
"B"
],
"chemical_system": "B-Co-Ho",
"density": 8.682833178600971,
"density_atomic": 0.08588375467329737,
"volume": 58.21822787115035,
"volume_molar": 7.011967260756451,
"formula_full": "Ho1 Co2 B2",
"formula_reduced": "Ho(CoB)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.483680506666668,
"spacegroup": 139
},
{
"id": "jvasp-102594",
"created_at": "2022-09-04T14:36:41.917407Z",
"updated_at": "2022-09-04T14:36:41.917427Z",
"structure_string": "Zr2 Co6\n1.0\n5.330097 0.000000 0.000000\n-2.665049 4.616000 0.000000\n-0.000000 -0.000000 4.179251\nZr Co\n2 6\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Zr\n0.151855 0.303710 0.250000 Co\n0.696291 0.848145 0.250000 Co\n0.151855 0.848145 0.250000 Co\n0.848146 0.696291 0.750000 Co\n0.303710 0.151855 0.750000 Co\n0.848146 0.151855 0.750000 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Co"
],
"chemical_system": "Co-Zr",
"density": 8.656707374920336,
"density_atomic": 0.07780197455073372,
"volume": 102.82515381127375,
"volume_molar": 7.740344374001763,
"formula_full": "Zr2 Co6",
"formula_reduced": "ZrCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.4838618,
"spacegroup": 194
},
{
"id": "jvasp-8334",
"created_at": "2022-09-04T14:37:06.124322Z",
"updated_at": "2022-09-04T14:37:06.124340Z",
"structure_string": "Ca1 Co2 N2\n1.0\n3.456335 0.000000 0.000000\n0.000000 3.456324 0.000000\n0.000000 0.000000 5.987940\nCa Co N\n1 2 2\ndirect\n0.000000 0.000000 0.250011 Ca\n0.499999 0.499999 0.948686 Co\n0.499999 0.499999 0.551307 Co\n0.499999 0.000000 0.534475 N\n0.000000 0.499999 0.965523 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Co",
"N"
],
"chemical_system": "Ca-Co-N",
"density": 4.316738666836147,
"density_atomic": 0.06989760387237795,
"volume": 71.53321033907278,
"volume_molar": 8.615661233531672,
"formula_full": "Ca1 Co2 N2",
"formula_reduced": "Ca(CoN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.483945744,
"spacegroup": 115
},
{
"id": "jvasp-30353",
"created_at": "2022-09-04T14:36:41.831466Z",
"updated_at": "2022-09-04T14:36:41.831482Z",
"structure_string": "Mn5 Ni1 O12\n1.0\n4.308067 2.477468 -0.221779\n-4.308067 2.477468 -0.221779\n0.000000 -0.868183 8.991694\nMn Ni O\n5 1 12\ndirect\n0.166663 0.833339 0.500000 Mn\n0.333331 0.666670 -0.000000 Mn\n0.500001 0.500001 0.500000 Mn\n0.666670 0.333331 -0.000000 Mn\n0.833339 0.166663 0.500000 Mn\n0.000000 0.000000 0.000000 Ni\n0.869418 0.535846 0.607710 O\n0.464156 0.130583 0.392289 O\n0.797031 0.797031 0.392337 O\n0.633581 0.633581 0.893408 O\n0.202970 0.202970 0.607662 O\n0.130583 0.464156 0.392289 O\n0.535846 0.869418 0.607710 O\n0.964299 0.295011 0.893410 O\n0.295011 0.964299 0.893410 O\n0.035702 0.704990 0.106590 O\n0.366420 0.366420 0.106591 O\n0.704990 0.035702 0.106590 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O",
"density": 4.584877508999533,
"density_atomic": 0.09459769711777817,
"volume": 190.2794734800915,
"volume_molar": 6.366054294643322,
"formula_full": "Mn5 Ni1 O12",
"formula_reduced": "Mn5NiO12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.484176144827586,
"spacegroup": 12
},
{
"id": "jvasp-43204",
"created_at": "2022-09-04T14:36:20.901004Z",
"updated_at": "2022-09-04T14:36:20.901029Z",
"structure_string": "Li2 Mn1 Nb3 O8\n1.0\n6.230111 0.106038 0.074980\n3.206887 5.342416 0.074980\n3.206887 1.851497 5.011884\nLi Mn Nb O\n2 1 3 8\ndirect\n0.124011 0.124011 0.124011 Li\n0.499752 0.499753 0.499752 Li\n0.876167 0.876168 0.876166 Mn\n0.004961 0.498981 0.498980 Nb\n0.498980 0.004961 0.498980 Nb\n0.498980 0.498981 0.004961 Nb\n0.252821 0.252821 0.252821 O\n0.250828 0.250829 0.725904 O\n0.250828 0.725906 0.250827 O\n0.725905 0.250828 0.250827 O\n0.276580 0.745867 0.745865 O\n0.745866 0.276580 0.745865 O\n0.745866 0.745867 0.276579 O\n0.748457 0.748459 0.748456 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Nb",
"O"
],
"chemical_system": "Li-Mn-Nb-O",
"density": 4.831642669464955,
"density_atomic": 0.08566271222349883,
"volume": 163.43166865267133,
"volume_molar": 7.030060809057617,
"formula_full": "Li2 Mn1 Nb3 O8",
"formula_reduced": "Li2MnNb3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.4843273886699504,
"spacegroup": 160
},
{
"id": "jvasp-92566",
"created_at": "2022-09-04T14:36:17.542499Z",
"updated_at": "2022-09-04T14:36:17.542517Z",
"structure_string": "Sm1 Si3 Os1\n1.0\n4.253178 0.000000 -0.000000\n0.000000 4.253178 0.000000\n-2.126589 -2.126589 4.987089\nSm Si Os\n1 3 1\ndirect\n0.997891 0.997891 0.995782 Sm\n0.419372 0.419372 0.838742 Si\n0.761262 0.261262 0.522523 Si\n0.261262 0.761262 0.522523 Si\n0.654215 0.654215 0.308430 Os\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Os"
],
"chemical_system": "Os-Si-Sm",
"density": 7.820002752704564,
"density_atomic": 0.05542373226170952,
"volume": 90.21406166567999,
"volume_molar": 10.8656355576409,
"formula_full": "Sm1 Si3 Os1",
"formula_reduced": "SmSi3Os",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.484565935,
"spacegroup": 107
},
{
"id": "jvasp-71211",
"created_at": "2022-09-04T14:35:51.067800Z",
"updated_at": "2022-09-04T14:35:51.067833Z",
"structure_string": "Be1 Zn1 Ru4\n1.0\n-0.000000 3.556411 3.556411\n3.556411 -0.000000 3.556411\n3.556411 3.556411 0.000000\nBe Zn Ru\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124470 0.625176 0.625176 Ru\n0.625176 0.625176 0.625176 Ru\n0.625176 0.124470 0.625176 Ru\n0.625176 0.625176 0.124470 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Ru"
],
"chemical_system": "Be-Ru-Zn",
"density": 8.835838454712587,
"density_atomic": 0.06669379344706346,
"volume": 89.96339374161332,
"volume_molar": 9.029537005988308,
"formula_full": "Be1 Zn1 Ru4",
"formula_reduced": "BeZnRu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.48489475,
"spacegroup": 216
},
{
"id": "jvasp-21914",
"created_at": "2022-09-04T14:38:17.051264Z",
"updated_at": "2022-09-04T14:38:17.051291Z",
"structure_string": "Sc5 Si7 Pt9\n1.0\n5.024435 -8.702577 0.000000\n5.024435 8.702577 -0.000000\n-0.000000 -0.000000 3.913793\nSc Si Pt\n5 7 9\ndirect\n0.333333 0.666668 0.000000 Sc\n0.666668 0.333333 0.500000 Sc\n0.229873 0.125143 0.500000 Sc\n0.895270 0.770128 0.500000 Sc\n0.874858 0.104731 0.500000 Sc\n0.000000 0.000000 0.000000 Si\n0.683358 0.572121 0.000000 Si\n0.888764 0.316643 0.000000 Si\n0.427880 0.111237 0.000000 Si\n0.144678 0.717363 0.500000 Si\n0.572687 0.855323 0.500000 Si\n0.282637 0.427314 0.500000 Si\n0.159700 0.876078 0.000000 Pt\n0.549476 0.602062 0.500000 Pt\n0.397939 0.947414 0.500000 Pt\n0.052587 0.450524 0.500000 Pt\n0.651916 0.086289 0.000000 Pt\n0.913712 0.565627 0.000000 Pt\n0.434374 0.348085 0.000000 Pt\n0.716379 0.840301 0.000000 Pt\n0.123923 0.283622 0.000000 Pt\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Pt"
],
"chemical_system": "Pt-Sc-Si",
"density": 10.562611707552248,
"density_atomic": 0.06135590129345546,
"volume": 342.26536579685074,
"volume_molar": 9.81509623857869,
"formula_full": "Sc5 Si7 Pt9",
"formula_reduced": "Sc5Si7Pt9",
"formula_anonymous": "A5B7C9",
"energy_above_hull": 3.485015669047619,
"spacegroup": 174
}
]
}