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=-nelements&page=608",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=606",
"results": [
{
"id": "jvasp-85696",
"created_at": "2022-09-04T14:36:09.541424Z",
"updated_at": "2022-09-04T14:36:09.541451Z",
"structure_string": "K2 H2 C2 O4\n1.0\n2.960790 3.368692 -0.000000\n-2.960790 3.368692 -0.000000\n0.000000 -0.000000 6.825285\nK H C O\n2 2 2 4\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.568107 0.568107 0.250000 H\n0.431893 0.431893 0.749999 H\n0.402589 0.402589 0.250000 C\n0.597411 0.597411 0.749999 C\n0.125300 0.505972 0.250000 O\n0.494028 0.874700 0.749999 O\n0.874700 0.494028 0.749999 O\n0.505972 0.125300 0.250000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-O",
"density": 2.0518077516958417,
"density_atomic": 0.07344805560434677,
"volume": 136.1506430322464,
"volume_molar": 8.199183369047011,
"formula_full": "K2 H2 C2 O4",
"formula_reduced": "KHCO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.387765,
"spacegroup": 63
},
{
"id": "jvasp-88284",
"created_at": "2022-09-04T14:36:10.280431Z",
"updated_at": "2022-09-04T14:36:10.280455Z",
"structure_string": "Ca4 Mg4 Si4 O16\n1.0\n4.857627 -0.000000 0.000000\n0.000000 6.397389 0.000000\n0.000000 0.000000 11.133673\nCa Mg Si O\n4 4 4 16\ndirect\n0.522073 0.250000 0.776358 Ca\n0.977928 0.250000 0.276358 Ca\n0.022073 0.750000 0.723642 Ca\n0.477927 0.750000 0.223642 Ca\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.587595 0.750000 0.918989 Si\n0.912405 0.750000 0.418989 Si\n0.412405 0.250000 0.081010 Si\n0.087595 0.250000 0.581010 Si\n0.248747 0.750000 0.422996 O\n0.748747 0.250000 0.077004 O\n0.227957 0.456132 0.647355 O\n0.752122 0.750000 0.552195 O\n0.252122 0.250000 0.947804 O\n0.247879 0.250000 0.447804 O\n0.747879 0.750000 0.052195 O\n0.727957 0.956132 0.852645 O\n0.227957 0.043868 0.647355 O\n0.272044 0.456132 0.147355 O\n0.772044 0.543868 0.352645 O\n0.272044 0.043868 0.147355 O\n0.772044 0.956132 0.352645 O\n0.727957 0.543868 0.852645 O\n0.251254 0.750000 0.922996 O\n0.751254 0.250000 0.577003 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ca",
"Mg",
"Si",
"O"
],
"chemical_system": "Ca-Mg-O-Si",
"density": 3.003751229879091,
"density_atomic": 0.0809268519150431,
"volume": 345.99146435838577,
"volume_molar": 7.441461786159722,
"formula_full": "Ca4 Mg4 Si4 O16",
"formula_reduced": "CaMgSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.4170902957142857,
"spacegroup": 62
},
{
"id": "jvasp-8598",
"created_at": "2022-09-04T14:36:39.132129Z",
"updated_at": "2022-09-04T14:36:39.132163Z",
"structure_string": "Cu1 H4 O2 F2\n1.0\n3.151833 -0.621793 -0.883308\n-1.476247 5.120982 -0.302551\n-0.862004 0.336326 5.257294\nCu H O F\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.992290 0.229803 0.554276 H\n0.992289 0.554277 0.229801 H\n0.007709 0.770198 0.445723 H\n0.007710 0.445724 0.770198 H\n-0.000000 0.739424 0.260575 O\n0.000001 0.260576 0.739424 O\n0.052244 0.762674 0.762674 F\n0.947755 0.237327 0.237326 F\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Cu",
"H",
"O",
"F"
],
"chemical_system": "Cu-F-H-O",
"density": 2.9773713017261008,
"density_atomic": 0.11729838844721152,
"volume": 76.72739684782901,
"volume_molar": 5.134035377400074,
"formula_full": "Cu1 H4 O2 F2",
"formula_reduced": "CuH4(OF)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.7552008905555554,
"spacegroup": 12
},
{
"id": "jvasp-99960",
"created_at": "2022-09-04T14:36:32.794495Z",
"updated_at": "2022-09-04T14:36:32.794529Z",
"structure_string": "Mn2 Cu1 Ni1 Sb2\n1.0\n4.069143 0.003950 6.136374\n1.852639 3.622937 6.136374\n0.006450 0.003950 7.362947\nMn Cu Ni Sb\n2 1 1 2\ndirect\n0.252826 0.252826 0.252826 Mn\n0.747412 0.747413 0.747412 Mn\n0.875441 0.875442 0.875441 Cu\n0.374438 0.374439 0.374438 Ni\n0.002311 0.002311 0.002311 Sb\n0.497570 0.497571 0.497570 Sb\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Mn",
"Cu",
"Ni",
"Sb"
],
"chemical_system": "Cu-Mn-Ni-Sb",
"density": 7.293109482655014,
"density_atomic": 0.05540393787412769,
"volume": 108.29555136733082,
"volume_molar": 10.869517566931277,
"formula_full": "Mn2 Cu1 Ni1 Sb2",
"formula_reduced": "Mn2CuNiSb2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 2.28025325545977,
"spacegroup": 160
},
{
"id": "jvasp-99870",
"created_at": "2022-09-04T14:36:33.420447Z",
"updated_at": "2022-09-04T14:36:33.420466Z",
"structure_string": "Ba1 Sr1 Co2 O6\n1.0\n5.562182 0.000000 -0.000000\n-2.781091 4.816991 0.000000\n-0.000000 -0.000000 4.738734\nBa Sr Co O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.500000 Sr\n0.666667 0.333333 0.248662 Co\n0.666667 0.333333 0.751337 Co\n0.363200 0.181600 0.500000 O\n0.818399 0.181600 0.500000 O\n0.818400 0.636799 0.500000 O\n0.973040 0.486520 0.000000 O\n0.513480 0.486520 0.000000 O\n0.513480 0.026960 0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Sr",
"density": 5.739076905607877,
"density_atomic": 0.07876198242974386,
"volume": 126.96480829339278,
"volume_molar": 7.645999471092267,
"formula_full": "Ba1 Sr1 Co2 O6",
"formula_reduced": "BaSr(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.220922508,
"spacegroup": 187
},
{
"id": "jvasp-100631",
"created_at": "2022-09-04T14:36:39.051869Z",
"updated_at": "2022-09-04T14:36:39.051881Z",
"structure_string": "Zn1 In1 Ga1 O4\n1.0\n3.290529 0.003233 8.283759\n1.587662 2.882173 8.283759\n0.005466 0.003233 8.913373\nZn In Ga O\n1 1 1 4\ndirect\n0.219054 0.219053 0.219054 Zn\n0.003131 0.003131 0.003131 In\n0.787006 0.787001 0.787004 Ga\n0.295275 0.295273 0.295274 O\n0.711239 0.711235 0.711238 O\n0.120831 0.120830 0.120831 O\n0.863473 0.863468 0.863471 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Zn",
"In",
"Ga",
"O"
],
"chemical_system": "Ga-In-O-Zn",
"density": 6.18328082640887,
"density_atomic": 0.08302535600105897,
"volume": 84.31159271284204,
"volume_molar": 7.253375414521786,
"formula_full": "Zn1 In1 Ga1 O4",
"formula_reduced": "ZnInGaO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.9064052421428574,
"spacegroup": 160
},
{
"id": "jvasp-86137",
"created_at": "2022-09-04T14:36:14.093903Z",
"updated_at": "2022-09-04T14:36:14.093937Z",
"structure_string": "Fe1 Ag3 C6 N6\n1.0\n6.453031 -0.000000 -0.000000\n-3.226515 5.588488 -0.000000\n-0.000000 0.000000 7.609295\nFe Ag C N\n1 3 6 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.768000 0.768000 0.153123 C\n0.000001 0.768000 0.846876 C\n0.232000 0.232000 0.846876 C\n1.000000 0.232000 0.153123 C\n0.768001 1.000000 0.846876 C\n0.232000 0.000000 0.153123 C\n0.000000 0.358878 0.262873 N\n0.641122 0.000000 0.737126 N\n0.358878 0.358878 0.737126 N\n0.641123 0.641122 0.262873 N\n1.000000 0.641122 0.737126 N\n0.358879 1.000000 0.262873 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Fe",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-Fe-N",
"density": 3.240782383049162,
"density_atomic": 0.05830656909292361,
"volume": 274.4116186033975,
"volume_molar": 10.32840870880684,
"formula_full": "Fe1 Ag3 C6 N6",
"formula_reduced": "FeAg3(CN)6",
"formula_anonymous": "AB3C6D6",
"energy_above_hull": 5.463926048749999,
"spacegroup": 162
},
{
"id": "jvasp-103199",
"created_at": "2022-09-04T14:36:32.780612Z",
"updated_at": "2022-09-04T14:36:32.780626Z",
"structure_string": "Rb2 In1 As1 F6\n1.0\n5.662213 -0.000000 3.269079\n1.887405 5.338386 3.269079\n0.000000 0.000000 6.538160\nRb In As F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 In\n0.000000 0.000000 0.000000 As\n0.775729 0.224270 0.224270 F\n0.224270 0.224270 0.775730 F\n0.224269 0.775731 0.775730 F\n0.224269 0.775731 0.224270 F\n0.775729 0.224270 0.775730 F\n0.775729 0.775731 0.224271 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"In",
"As",
"F"
],
"chemical_system": "As-F-In-Rb",
"density": 3.9882755301352653,
"density_atomic": 0.05059973941428088,
"volume": 197.6294762731066,
"volume_molar": 11.90152524441728,
"formula_full": "Rb2 In1 As1 F6",
"formula_reduced": "Rb2InAsF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-98466",
"created_at": "2022-09-04T14:36:20.009551Z",
"updated_at": "2022-09-04T14:36:20.009570Z",
"structure_string": "K6 Sm2 P4 O16\n1.0\n5.645358 0.000000 0.000000\n0.000000 7.392253 -0.103147\n0.000000 0.013352 9.502261\nK Sm P O\n6 2 4 16\ndirect\n0.250000 0.800324 0.917787 K\n0.750000 0.199676 0.082213 K\n0.750000 0.634596 0.408255 K\n0.250000 0.365403 0.591745 K\n0.750000 0.493047 0.808845 K\n0.250000 0.506953 0.191155 K\n0.750000 0.993148 0.708625 Sm\n0.250000 0.006851 0.291375 Sm\n0.250000 0.806048 0.574258 P\n0.250000 0.234785 0.912597 P\n0.750000 0.765214 0.087403 P\n0.750000 0.193951 0.425741 P\n0.025872 0.154781 0.838394 O\n0.250000 0.441430 0.898974 O\n0.750000 0.558569 0.101025 O\n0.474925 0.749277 0.657392 O\n0.974925 0.250723 0.342608 O\n0.525075 0.250723 0.342608 O\n0.025075 0.749277 0.657392 O\n0.250000 0.013305 0.550471 O\n0.750000 0.986695 0.449528 O\n0.250000 0.715112 0.425163 O\n0.750000 0.284887 0.574837 O\n0.525872 0.845218 0.161605 O\n0.974128 0.845218 0.161605 O\n0.474128 0.154781 0.838394 O\n0.250000 0.176196 0.069487 O\n0.750000 0.823803 0.930513 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Sm",
"P",
"O"
],
"chemical_system": "K-O-P-Sm",
"density": 3.8322962469654986,
"density_atomic": 0.07060805546864031,
"volume": 396.55531956174394,
"volume_molar": 8.528971262598583,
"formula_full": "K6 Sm2 P4 O16",
"formula_reduced": "K3Sm(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.919725133928572,
"spacegroup": 11
},
{
"id": "jvasp-100661",
"created_at": "2022-09-04T14:36:38.847109Z",
"updated_at": "2022-09-04T14:36:38.847144Z",
"structure_string": "Cr1 Ag1 P2 Se6\n1.0\n6.311937 -0.000279 0.885427\n-3.344706 5.352897 0.885427\n0.037617 0.067858 7.031831\nCr Ag P Se\n1 1 2 6\ndirect\n0.332680 0.667320 0.000000 Cr\n0.667614 0.332386 0.000000 Ag\n0.052840 0.052365 0.834360 P\n0.947636 0.947161 0.165641 P\n0.118912 0.437141 0.748857 Se\n0.397439 0.040316 0.744630 Se\n0.959685 0.602562 0.255371 Se\n0.562859 0.881089 0.251144 Se\n0.721830 0.761494 0.748600 Se\n0.238507 0.278171 0.251401 Se\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cr",
"Ag",
"P",
"Se"
],
"chemical_system": "Ag-Cr-P-Se",
"density": 4.877214620036671,
"density_atomic": 0.04222608213172941,
"volume": 236.82045539540658,
"volume_molar": 14.261661172384398,
"formula_full": "Cr1 Ag1 P2 Se6",
"formula_reduced": "CrAg(PSe3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.2332855860000005,
"spacegroup": 5
},
{
"id": "jvasp-98243",
"created_at": "2022-09-04T14:36:09.642809Z",
"updated_at": "2022-09-04T14:36:09.642845Z",
"structure_string": "Li2 Er2 P8 O24\n1.0\n6.436966 0.000232 2.783262\n2.211763 7.685141 3.720853\n0.003065 0.023232 8.829024\nLi Er P O\n2 2 8 24\ndirect\n0.293220 0.750010 0.249991 Li\n0.706781 0.249990 0.750008 Li\n0.796432 0.750000 0.249995 Er\n0.203569 0.249999 0.750004 Er\n0.688478 0.884820 0.841234 P\n0.311523 0.115179 0.158765 P\n0.001560 0.694767 0.597359 P\n0.293689 0.805233 0.902634 P\n0.706312 0.194766 0.097365 P\n0.414546 0.615174 0.658763 P\n0.998441 0.305233 0.402639 P\n0.585455 0.384826 0.341236 P\n0.329877 0.644554 0.845237 O\n0.986511 0.279838 0.584719 O\n0.986661 0.524030 0.735866 O\n0.148917 0.779842 0.084715 O\n0.167796 0.184434 0.042617 O\n0.819650 0.855451 0.654754 O\n0.783002 0.262443 0.424000 O\n0.436080 0.925177 0.201218 O\n0.753438 0.024025 0.235869 O\n0.216999 0.737556 0.575999 O\n0.013490 0.720161 0.415280 O\n0.246563 0.975975 0.764129 O\n0.530558 0.762439 0.924009 O\n0.013340 0.475970 0.264133 O\n0.670124 0.355445 0.154762 O\n0.563921 0.074822 0.798780 O\n0.394839 0.315572 0.457398 O\n0.832205 0.815565 0.957382 O\n0.562466 0.574821 0.298772 O\n0.180351 0.144549 0.345245 O\n0.437535 0.425178 0.701227 O\n0.851084 0.220157 0.915284 O\n0.469443 0.237560 0.075990 O\n0.605162 0.684427 0.542601 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Er",
"P",
"O"
],
"chemical_system": "Er-Li-O-P",
"density": 3.730682683404029,
"density_atomic": 0.08251592735801043,
"volume": 436.2794087474461,
"volume_molar": 7.298155583796376,
"formula_full": "Li2 Er2 P8 O24",
"formula_reduced": "LiEr(PO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.8518846666666664,
"spacegroup": 15
},
{
"id": "jvasp-43294",
"created_at": "2022-09-04T14:36:09.989062Z",
"updated_at": "2022-09-04T14:36:09.989088Z",
"structure_string": "Li4 Ti6 Ni2 O16\n1.0\n2.954043 -5.116553 0.000000\n2.954043 5.116553 0.000000\n-0.000000 0.000000 9.568601\nLi Ti Ni O\n4 6 2 16\ndirect\n0.333333 0.666666 0.107867 Li\n0.000000 0.000000 0.001109 Li\n0.000000 0.000000 0.501109 Li\n0.666666 0.333333 0.607866 Li\n0.337062 0.168530 0.285409 Ti\n0.831469 0.662937 0.285409 Ti\n0.831469 0.168530 0.285409 Ti\n0.662937 0.831469 0.785409 Ti\n0.168530 0.831469 0.785409 Ti\n0.168530 0.337062 0.785409 Ti\n0.333333 0.666666 0.512152 Ni\n0.666666 0.333333 0.012152 Ni\n0.840138 0.680278 0.894977 O\n0.319721 0.159860 0.894977 O\n0.666666 0.333333 0.397434 O\n0.964612 0.482305 0.167421 O\n0.517694 0.482305 0.167421 O\n0.159860 0.319721 0.394977 O\n0.482305 0.517694 0.667421 O\n0.482305 0.964612 0.667421 O\n0.680278 0.840138 0.394977 O\n0.000000 0.000000 0.184071 O\n0.000000 0.000000 0.684071 O\n0.333333 0.666666 0.897434 O\n0.517694 0.035387 0.167421 O\n0.159860 0.840139 0.394977 O\n0.035387 0.517694 0.667421 O\n0.840139 0.159860 0.894977 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Ti",
"density": 3.951676579321305,
"density_atomic": 0.09680221624808376,
"volume": 289.2495759419586,
"volume_molar": 6.221077361045658,
"formula_full": "Li4 Ti6 Ni2 O16",
"formula_reduced": "Li2Ti3NiO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.7389118142857147,
"spacegroup": 186
}
]
}