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=-updated_at&page=1137",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=1135",
"results": [
{
"id": "jvasp-12560",
"created_at": "2022-09-04T14:38:11.287252Z",
"updated_at": "2022-09-04T14:38:11.287277Z",
"structure_string": "Sr4 H8\n1.0\n3.835763 0.000000 0.000000\n0.000000 6.340436 0.000000\n0.000000 0.000000 7.312160\nSr H\n4 8\ndirect\n0.250000 0.760138 0.387536 Sr\n0.749999 0.239863 0.612464 Sr\n0.250000 0.260138 0.112464 Sr\n0.749999 0.739863 0.887536 Sr\n0.250000 0.527511 0.677405 H\n0.749999 0.472490 0.322595 H\n0.250000 0.027511 0.822595 H\n0.749999 0.972490 0.177405 H\n0.749999 0.355088 0.928236 H\n0.250000 0.644912 0.071764 H\n0.749999 0.855089 0.571764 H\n0.250000 0.144912 0.428236 H\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"H"
],
"chemical_system": "H-Sr",
"density": 3.34791482714765,
"density_atomic": 0.06747838370708797,
"volume": 177.83472781579846,
"volume_molar": 8.924548024358547,
"formula_full": "Sr4 H8",
"formula_reduced": "SrH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.133652103333334,
"spacegroup": 62
},
{
"id": "jvasp-12550",
"created_at": "2022-09-04T14:38:11.287029Z",
"updated_at": "2022-09-04T14:38:11.287052Z",
"structure_string": "Na6 S2 Cl1 O8 F1\n1.0\n6.170011 -0.000000 3.562258\n2.056671 5.817142 3.562258\n0.000000 0.000000 7.124515\nNa S Cl O F\n6 2 1 8 1\ndirect\n0.222604 0.777396 0.222604 Na\n0.222604 0.777396 0.777397 Na\n0.777396 0.777396 0.222604 Na\n0.777396 0.222604 0.222604 Na\n0.777396 0.222604 0.777397 Na\n0.222604 0.222604 0.777397 Na\n0.250000 0.250000 0.250000 S\n0.750000 0.750000 0.750001 S\n0.500000 0.500000 0.500001 Cl\n0.835224 0.835224 0.835225 O\n0.835224 0.835224 0.494329 O\n0.494328 0.835224 0.835225 O\n0.835224 0.494328 0.835225 O\n0.505672 0.164776 0.164776 O\n0.164776 0.505672 0.164777 O\n0.164776 0.164776 0.505672 O\n0.164776 0.164776 0.164776 O\n0.000000 0.000000 0.000000 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Na",
"S",
"Cl",
"O",
"F"
],
"chemical_system": "Cl-F-Na-O-S",
"density": 2.4969607878131383,
"density_atomic": 0.07039172309936803,
"volume": 255.7118821283919,
"volume_molar": 8.555183045453914,
"formula_full": "Na6 S2 Cl1 O8 F1",
"formula_reduced": "Na6S2ClO8F",
"formula_anonymous": "ABC2D6E8",
"energy_above_hull": 1.1983809083333337,
"spacegroup": 225
},
{
"id": "jvasp-14495",
"created_at": "2022-09-04T14:38:11.286534Z",
"updated_at": "2022-09-04T14:38:11.286555Z",
"structure_string": "La1 Ni5\n1.0\n2.504204 -4.337408 0.000000\n2.504204 4.337408 0.000000\n0.000000 0.000000 3.973355\nLa Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n-0.000001 0.500000 0.499999 Ni\n0.333332 0.666666 0.000000 Ni\n0.666666 0.333332 0.000000 Ni\n0.499999 0.499999 0.499999 Ni\n0.500000 -0.000001 0.499999 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Ni"
],
"chemical_system": "La-Ni",
"density": 8.318016655227558,
"density_atomic": 0.06951265952586977,
"volume": 86.31521281051037,
"volume_molar": 8.663372687904143,
"formula_full": "La1 Ni5",
"formula_reduced": "LaNi5",
"formula_anonymous": "AB5",
"energy_above_hull": 1.2534078333333332,
"spacegroup": 191
},
{
"id": "jvasp-44787",
"created_at": "2022-09-04T14:38:11.286512Z",
"updated_at": "2022-09-04T14:38:11.286528Z",
"structure_string": "Li1 Fe3 O2 F6\n1.0\n-4.913011 0.524666 -0.055888\n0.463589 4.351086 -0.693555\n-0.028788 -0.891450 -5.573652\nLi Fe O F\n1 3 2 6\ndirect\n-0.227652 0.999023 0.656767 Li\n0.272344 0.499082 0.920585 Fe\n0.772326 0.499044 0.156803 Fe\n0.272286 0.499006 0.393038 Fe\n0.444762 0.288305 0.156700 O\n0.099888 0.709786 0.156921 O\n0.947376 0.258216 0.917203 F\n0.947337 0.258170 0.396135 F\n0.433017 0.272942 0.656682 F\n0.597302 0.739943 -0.082507 F\n0.111584 0.725121 0.656941 F\n0.597270 0.739832 0.396432 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 4.306516232455239,
"density_atomic": 0.09711299220842019,
"volume": 123.5674004797016,
"volume_molar": 6.201168991967121,
"formula_full": "Li1 Fe3 O2 F6",
"formula_reduced": "LiFe3(OF3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.3511537662499995,
"spacegroup": 10
},
{
"id": "jvasp-109614",
"created_at": "2022-09-04T14:38:11.285109Z",
"updated_at": "2022-09-04T14:38:11.285137Z",
"structure_string": "Y2 Cu1 Os1\n1.0\n4.194437 -0.000000 2.421659\n1.398146 3.954553 2.421659\n-0.000000 -0.000000 4.843319\nY Cu Os\n2 1 1\ndirect\n0.250001 0.250000 0.250000 Y\n0.750002 0.749999 0.750000 Y\n0.500001 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cu",
"Os"
],
"chemical_system": "Cu-Os-Y",
"density": 8.920804173939096,
"density_atomic": 0.04979042585914479,
"volume": 80.33673002347574,
"volume_molar": 12.094977409987225,
"formula_full": "Y2 Cu1 Os1",
"formula_reduced": "Y2CuOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7437815875,
"spacegroup": 225
},
{
"id": "jvasp-10132",
"created_at": "2022-09-04T14:38:11.280724Z",
"updated_at": "2022-09-04T14:38:11.280758Z",
"structure_string": "Na4 Cu4 O4\n1.0\n4.385810 0.000000 1.633040\n2.192904 6.261061 0.816520\n0.008156 0.000000 6.684037\nNa Cu O\n4 4 4\ndirect\n0.922250 0.827745 0.827746 Na\n0.250003 0.827745 0.172255 Na\n0.250004 0.172254 0.827746 Na\n0.577742 0.172254 0.172255 Na\n0.899968 0.500000 0.200063 Cu\n0.899969 0.200063 0.500000 Cu\n0.600031 0.799937 0.500000 Cu\n0.600032 0.500000 0.799937 Cu\n0.454784 0.795210 0.795210 O\n0.750005 0.795210 0.204790 O\n0.750006 0.204790 0.795210 O\n0.045205 0.204790 0.204790 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O",
"density": 3.7122969792201483,
"density_atomic": 0.065409678795565,
"volume": 183.45908772164222,
"volume_molar": 9.20680374967431,
"formula_full": "Na4 Cu4 O4",
"formula_reduced": "NaCuO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-55472",
"created_at": "2022-09-04T14:38:11.278591Z",
"updated_at": "2022-09-04T14:38:11.278626Z",
"structure_string": "Na4 Mn4 P4 O16\n1.0\n5.110895 0.000000 0.000000\n-0.000000 6.897300 0.000000\n0.000000 0.000000 9.154197\nNa Mn P O\n4 4 4 16\ndirect\n0.025393 0.250000 0.648425 Na\n0.525393 0.750000 0.851575 Na\n0.974608 0.750000 0.351575 Na\n0.474607 0.250000 0.148425 Na\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.470417 0.750000 0.176067 P\n0.970418 0.250000 0.323933 P\n0.529583 0.250000 0.823933 P\n0.029583 0.750000 0.676068 P\n0.259471 0.250000 0.378665 O\n0.759471 0.750000 0.121335 O\n0.328245 0.567137 0.120262 O\n0.828245 0.432863 0.379738 O\n0.671756 0.067137 0.879738 O\n0.171755 0.932863 0.620262 O\n0.671756 0.432863 0.879738 O\n0.546647 0.250000 0.652380 O\n0.328245 0.932863 0.120262 O\n0.828245 0.067137 0.379738 O\n0.453354 0.750000 0.347620 O\n0.953354 0.250000 0.152380 O\n0.240529 0.250000 0.878666 O\n0.046647 0.750000 0.847620 O\n0.171755 0.567137 0.620262 O\n0.740530 0.750000 0.621335 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-Na-O-P",
"density": 3.5588172241472984,
"density_atomic": 0.08676842256864503,
"volume": 322.6980411894475,
"volume_molar": 6.940475096496895,
"formula_full": "Na4 Mn4 P4 O16",
"formula_reduced": "NaMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.3235836773399017,
"spacegroup": 62
},
{
"id": "jvasp-38894",
"created_at": "2022-09-04T14:38:11.274648Z",
"updated_at": "2022-09-04T14:38:11.274675Z",
"structure_string": "Lu4 Ni4 Sn4\n1.0\n4.414918 -0.000000 0.000000\n0.000000 6.943321 0.000000\n0.000000 0.000000 7.602927\nLu Ni Sn\n4 4 4\ndirect\n0.250000 0.487368 0.201118 Lu\n0.250000 0.987368 0.298882 Lu\n0.750000 0.012632 0.701118 Lu\n0.750000 0.512632 0.798882 Lu\n0.750000 0.792223 0.085151 Ni\n0.750000 0.292223 0.414849 Ni\n0.250000 0.707776 0.585151 Ni\n0.250000 0.207776 0.914849 Ni\n0.750000 0.190059 0.086756 Sn\n0.750000 0.690059 0.413244 Sn\n0.250000 0.309941 0.586756 Sn\n0.250000 0.809940 0.913245 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Sn"
],
"chemical_system": "Lu-Ni-Sn",
"density": 10.042406621531708,
"density_atomic": 0.0514885355849295,
"volume": 233.06159057886188,
"volume_molar": 11.696080868461635,
"formula_full": "Lu4 Ni4 Sn4",
"formula_reduced": "LuNiSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6038132833333333,
"spacegroup": 62
},
{
"id": "jvasp-14772",
"created_at": "2022-09-04T14:38:11.273542Z",
"updated_at": "2022-09-04T14:38:11.273569Z",
"structure_string": "Ti2 S2\n1.0\n1.667649 -2.888453 0.000000\n1.667649 2.888453 -0.000000\n0.000000 -0.000000 6.391636\nTi S\n2 2\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n0.000000 0.000000 0.000000 S\n0.000000 0.000000 0.500000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.311096957801611,
"density_atomic": 0.06496029805049545,
"volume": 61.57607215549855,
"volume_molar": 9.270494349208223,
"formula_full": "Ti2 S2",
"formula_reduced": "TiS",
"formula_anonymous": "AB",
"energy_above_hull": 1.2491241666666668,
"spacegroup": 194
},
{
"id": "jvasp-9308",
"created_at": "2022-09-04T14:38:11.273294Z",
"updated_at": "2022-09-04T14:38:11.273319Z",
"structure_string": "Ba2 Y1 Ti3 O8\n1.0\n3.990431 0.000000 0.000000\n0.000000 3.990431 0.000000\n0.000000 -0.000000 11.485401\nBa Y Ti O\n2 1 3 8\ndirect\n0.500000 0.500000 0.171181 Ba\n0.500000 0.500000 0.828820 Ba\n0.500000 0.500000 0.499999 Y\n0.000000 0.000000 0.353585 Ti\n0.000000 0.000000 0.000002 Ti\n0.000000 0.000000 0.646413 Ti\n0.000000 0.500000 0.372542 O\n0.500000 0.000000 0.372542 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.000000 0.182787 O\n0.000000 0.500000 0.627458 O\n0.500000 0.000000 0.627458 O\n0.000000 0.000000 0.817213 O\n0.000000 0.500000 -0.000000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti-Y",
"density": 5.766917819642628,
"density_atomic": 0.07654948295389553,
"volume": 182.88823725213095,
"volume_molar": 7.866990772004345,
"formula_full": "Ba2 Y1 Ti3 O8",
"formula_reduced": "Ba2YTi3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.695457885,
"spacegroup": 123
},
{
"id": "jvasp-44484",
"created_at": "2022-09-04T14:38:11.270848Z",
"updated_at": "2022-09-04T14:38:11.270882Z",
"structure_string": "Li4 Fe2 Ni6 O16\n1.0\n5.650458 -0.000021 0.000161\n-2.825247 4.893470 -0.000322\n-0.000356 0.000617 9.070651\nLi Fe Ni O\n4 2 6 16\ndirect\n0.333330 0.666674 0.898507 Li\n0.999891 0.999956 0.995272 Li\n0.000108 0.000064 0.495272 Li\n0.666670 0.333343 0.398507 Li\n0.333369 0.666695 0.493256 Fe\n0.666630 0.333325 0.993256 Fe\n0.830372 0.169701 0.713699 Ni\n0.830371 0.660696 0.713699 Ni\n0.339380 0.169700 0.713702 Ni\n0.169628 0.339329 0.213699 Ni\n0.169628 0.830326 0.213699 Ni\n0.660620 0.830318 0.213702 Ni\n0.332028 0.166028 0.091452 O\n0.833894 0.667885 0.091484 O\n0.666713 0.333370 0.611582 O\n0.519857 0.039673 0.844811 O\n0.519848 0.480200 0.844807 O\n0.667971 0.834000 0.591452 O\n0.480143 0.519816 0.344811 O\n0.039658 0.519841 0.344828 O\n0.166094 0.332131 0.591484 O\n0.000035 0.000028 0.805337 O\n-0.000035 -0.000007 0.305337 O\n0.333287 0.666658 0.111582 O\n0.960342 0.480183 0.844828 O\n0.166104 0.833991 0.591484 O\n0.480151 0.960352 0.344808 O\n0.833906 0.166036 0.091483 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.949747782213444,
"density_atomic": 0.11164002433853691,
"volume": 250.80610798769513,
"volume_molar": 5.394248877748788,
"formula_full": "Li4 Fe2 Ni6 O16",
"formula_reduced": "Li2FeNi3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.30648505,
"spacegroup": 186
},
{
"id": "jvasp-46850",
"created_at": "2022-09-04T14:38:11.266565Z",
"updated_at": "2022-09-04T14:38:11.266588Z",
"structure_string": "Li2 V1 C2 O6\n1.0\n4.751947 0.000000 0.000000\n-2.375974 1.371768 5.285740\n2.375975 -4.115307 -0.000000\nLi V C O\n2 1 2 6\ndirect\n0.204565 0.613693 0.204564 Li\n0.795436 0.386307 0.795436 Li\n0.000000 0.000000 0.000000 V\n0.413748 0.241243 0.413748 C\n0.586252 0.758757 0.586252 C\n0.304724 0.757033 0.601594 O\n0.398406 0.242967 0.149284 O\n0.149283 0.242967 0.695276 O\n0.850717 0.757033 0.304724 O\n0.601594 0.757033 0.850716 O\n0.695276 0.242967 0.398406 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"V",
"C",
"O"
],
"chemical_system": "C-Li-O-V",
"density": 2.9693985205271343,
"density_atomic": 0.10641750223712353,
"volume": 103.36645541152978,
"volume_molar": 5.658975857731783,
"formula_full": "Li2 V1 C2 O6",
"formula_reduced": "Li2V(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.383896836363636,
"spacegroup": 148
}
]
}