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=-created_at&page=1077",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=1075",
"results": [
{
"id": "jvasp-108792",
"created_at": "2022-09-04T14:38:13.477110Z",
"updated_at": "2022-09-04T14:38:13.477139Z",
"structure_string": "Cr2 Co2 B2\n1.0\n4.109241 0.012725 2.998663\n2.546392 3.228299 1.065673\n-0.002445 0.005031 4.064337\nCr Co B\n2 2 2\ndirect\n0.336962 0.663037 0.336963 Cr\n0.663037 0.336962 0.663038 Cr\n0.165676 0.165676 0.834325 Co\n0.834323 0.834323 0.165676 Co\n0.749999 0.749999 0.750000 B\n0.250000 0.250000 0.250000 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Co",
"B"
],
"chemical_system": "B-Co-Cr",
"density": 7.511513205045073,
"density_atomic": 0.11147185865701877,
"volume": 53.82524407762006,
"volume_molar": 5.402386604613074,
"formula_full": "Cr2 Co2 B2",
"formula_reduced": "CrCoB",
"formula_anonymous": "ABC",
"energy_above_hull": 3.626346961111112,
"spacegroup": 69
},
{
"id": "jvasp-54931",
"created_at": "2022-09-04T14:38:13.473056Z",
"updated_at": "2022-09-04T14:38:13.473065Z",
"structure_string": "K8 Co4 Cl16\n1.0\n0.000000 6.655880 -0.037461\n9.554002 0.000000 0.000000\n0.000000 -3.572107 -12.007060\nK Co Cl\n8 4 16\ndirect\n0.780418 0.353649 0.008650 K\n0.219582 0.646351 0.991350 K\n0.401883 0.405054 0.665967 K\n0.598116 0.905054 0.834033 K\n0.219582 0.853649 0.491350 K\n0.401883 0.094946 0.165967 K\n0.598117 0.594946 0.334033 K\n0.780417 0.146351 0.508650 K\n0.879925 0.647351 0.680131 Co\n0.120075 0.352649 0.319868 Co\n0.879925 0.852648 0.180131 Co\n0.120074 0.147351 0.819869 Co\n0.204278 0.539242 0.432917 Cl\n0.222527 0.401965 0.165855 Cl\n0.225777 0.690811 0.722332 Cl\n0.700131 0.659937 0.100671 Cl\n0.299868 0.159937 0.399329 Cl\n0.777472 0.901965 0.334145 Cl\n0.225777 0.809189 0.222332 Cl\n0.204277 0.960758 0.932917 Cl\n0.700131 0.840063 0.600671 Cl\n0.774223 0.190811 0.777668 Cl\n0.774223 0.309189 0.277668 Cl\n0.222527 0.098035 0.665855 Cl\n0.777472 0.598035 0.834145 Cl\n0.795722 0.039242 0.067083 Cl\n0.299868 0.340063 0.899329 Cl\n0.795722 0.460758 0.567083 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Co",
"Cl"
],
"chemical_system": "Cl-Co-K",
"density": 2.422526906333583,
"density_atomic": 0.03661035672660249,
"volume": 764.8109033489457,
"volume_molar": 16.449281838393237,
"formula_full": "K8 Co4 Cl16",
"formula_reduced": "K2CoCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0895433099999998,
"spacegroup": 14
},
{
"id": "jvasp-56565",
"created_at": "2022-09-04T14:38:13.472735Z",
"updated_at": "2022-09-04T14:38:13.472750Z",
"structure_string": "Mg4 Si2\n1.0\n4.861398 0.000000 2.806729\n1.620467 4.583370 2.806729\n0.000000 0.000000 5.613457\nMg Si\n4 2\ndirect\n0.500000 -0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 0.500000 Mg\n0.500001 0.500000 -0.000000 Mg\n0.875001 0.875000 0.875000 Si\n0.125000 0.125000 0.125000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.0364440386990297,
"density_atomic": 0.04797055624572446,
"volume": 125.07672350651073,
"volume_molar": 12.55382724593014,
"formula_full": "Mg4 Si2",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8627620476190475,
"spacegroup": 227
},
{
"id": "jvasp-110051",
"created_at": "2022-09-04T14:38:13.472296Z",
"updated_at": "2022-09-04T14:38:13.472324Z",
"structure_string": "Tl3 In1\n1.0\n4.919479 0.000000 0.000000\n0.000000 4.919479 0.000000\n-0.000000 0.000000 4.919479\nTl In\n3 1\ndirect\n0.500000 0.500000 -0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n-0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"In"
],
"chemical_system": "In-Tl",
"density": 10.153224610221548,
"density_atomic": 0.033597167013424856,
"volume": 119.05765740312772,
"volume_molar": 17.924549285937278,
"formula_full": "Tl3 In1",
"formula_reduced": "Tl3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0029174999999999,
"spacegroup": 221
},
{
"id": "jvasp-44387",
"created_at": "2022-09-04T14:38:13.470826Z",
"updated_at": "2022-09-04T14:38:13.470852Z",
"structure_string": "Li4 Co3 Ni5 O16\n1.0\n5.631727 -0.000964 0.007344\n-2.809737 -4.880713 -0.008602\n-0.015812 -0.006299 -9.151922\nLi Co Ni O\n4 3 5 16\ndirect\n0.331285 0.668748 0.100320 Li\n0.999854 0.000115 0.003847 Li\n0.002904 -0.002829 0.504561 Li\n0.666255 0.333751 0.601068 Li\n0.659873 0.829278 0.787110 Co\n0.170706 0.340111 0.787111 Co\n0.829720 0.170337 0.286269 Co\n0.338000 0.170468 0.285719 Ni\n0.829591 0.662061 0.285721 Ni\n0.667056 0.332953 0.010617 Ni\n0.168892 0.831094 0.786390 Ni\n0.334310 0.665721 0.512253 Ni\n0.836544 0.675465 0.902334 O\n0.666021 0.334040 0.388937 O\n0.520522 0.039046 0.161173 O\n0.960995 0.479526 0.161171 O\n0.164944 0.835119 0.400900 O\n0.837982 0.162010 0.899817 O\n0.038800 0.518206 0.661047 O\n0.481771 0.518203 0.664306 O\n0.161057 0.323053 0.402496 O\n-0.000619 0.000676 0.192745 O\n-0.000631 0.000600 0.692537 O\n0.332725 0.667273 0.890574 O\n0.518437 0.481619 0.157235 O\n0.677010 0.839006 0.402501 O\n0.481781 0.961199 0.661053 O\n0.324510 0.163439 0.902344 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.976841877476418,
"density_atomic": 0.1112959456201244,
"volume": 251.58149152683126,
"volume_molar": 5.410925552090448,
"formula_full": "Li4 Co3 Ni5 O16",
"formula_reduced": "Li4Co3Ni5O16",
"formula_anonymous": "A3B4C5D16",
"energy_above_hull": 2.5372200250000003,
"spacegroup": 8
},
{
"id": "jvasp-51670",
"created_at": "2022-09-04T14:38:13.470308Z",
"updated_at": "2022-09-04T14:38:13.470325Z",
"structure_string": "Ba2 H4 O6\n1.0\n0.000000 5.361427 -0.213652\n4.087217 0.000000 0.000000\n0.000000 -1.764657 -6.587841\nBa H O\n2 4 6\ndirect\n0.859012 0.250000 0.722466 Ba\n0.140988 0.750001 0.277534 Ba\n0.623605 0.750001 0.047579 H\n0.376396 0.250000 -0.047580 H\n0.401775 0.750001 0.780025 H\n0.598225 0.250000 0.219974 H\n0.669557 0.750001 0.436365 O\n0.330443 0.250000 0.563634 O\n0.709190 0.750001 0.934956 O\n0.290810 0.250000 0.065043 O\n0.217270 0.750001 0.705801 O\n0.782730 0.250000 0.294199 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 4.264318577870327,
"density_atomic": 0.0822467556938159,
"volume": 145.90241157563707,
"volume_molar": 7.3220404977661655,
"formula_full": "Ba2 H4 O6",
"formula_reduced": "BaH2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0284644116666666,
"spacegroup": 11
},
{
"id": "jvasp-21271",
"created_at": "2022-09-04T14:38:13.466402Z",
"updated_at": "2022-09-04T14:38:13.466425Z",
"structure_string": "Sr4 Zr4 S12\n1.0\n6.742349 0.000000 0.000000\n0.000000 7.164048 0.000000\n0.000000 0.000000 9.801066\nSr Zr S\n4 4 12\ndirect\n0.474237 0.081755 0.250000 Sr\n0.974237 0.418245 0.750000 Sr\n0.025763 0.581756 0.250000 Sr\n0.525763 0.918245 0.750000 Sr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.500000 Zr\n0.689797 0.195334 0.550778 S\n0.189797 0.304667 0.449222 S\n0.810203 0.695334 0.550778 S\n0.310203 0.804667 0.449222 S\n0.689797 0.195334 0.949222 S\n0.900084 0.980290 0.250000 S\n0.599916 0.480290 0.250000 S\n0.099916 0.019710 0.750000 S\n0.310203 0.804667 0.050778 S\n0.400084 0.519710 0.750000 S\n0.189797 0.304667 0.050778 S\n0.810203 0.695334 0.949222 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"S"
],
"chemical_system": "S-Sr-Zr",
"density": 3.858871701125425,
"density_atomic": 0.042246133397424994,
"volume": 473.4161067914217,
"volume_molar": 14.25489216574567,
"formula_full": "Sr4 Zr4 S12",
"formula_reduced": "SrZrS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.612770162,
"spacegroup": 62
},
{
"id": "jvasp-17884",
"created_at": "2022-09-04T14:38:13.464314Z",
"updated_at": "2022-09-04T14:38:13.464331Z",
"structure_string": "U1 In3\n1.0\n4.635978 -0.000000 0.000000\n-0.000000 4.635978 -0.000000\n0.000000 0.000000 4.635978\nU In\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"In"
],
"chemical_system": "In-U",
"density": 9.707517589130175,
"density_atomic": 0.04014540950025148,
"volume": 99.63779295799544,
"volume_molar": 15.000820355219634,
"formula_full": "U1 In3",
"formula_reduced": "UIn3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.1193564775000002,
"spacegroup": 221
},
{
"id": "jvasp-19951",
"created_at": "2022-09-04T14:38:13.461668Z",
"updated_at": "2022-09-04T14:38:13.461699Z",
"structure_string": "Ba2 Ge2\n1.0\n4.332919 0.000000 -0.000000\n0.000000 4.663411 -1.974784\n0.000000 0.029335 6.562940\nBa Ge\n2 2\ndirect\n0.250000 0.861539 0.723076 Ba\n0.750000 0.138462 0.276924 Ba\n0.250000 0.565563 0.131127 Ge\n0.750000 0.434438 0.868874 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Ge"
],
"chemical_system": "Ba-Ge",
"density": 5.248391045089422,
"density_atomic": 0.030106206830572954,
"volume": 132.86296817498732,
"volume_molar": 20.002987403529346,
"formula_full": "Ba2 Ge2",
"formula_reduced": "BaGe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-53160",
"created_at": "2022-09-04T14:38:13.458492Z",
"updated_at": "2022-09-04T14:38:13.458512Z",
"structure_string": "Yb2 Ti4 Cd2 O12 F2\n1.0\n6.206162 0.032019 3.613911\n2.092700 5.919051 3.624664\n0.026658 0.032019 7.181649\nYb Ti Cd O F\n2 4 2 12 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.500000 -0.000000 Yb\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.827466 0.826545 0.420076 O\n0.828841 0.421159 0.828841 O\n0.420077 0.826545 0.827465 O\n0.827466 0.425912 0.420077 O\n0.420077 0.425912 0.827466 O\n0.419600 0.830400 0.419599 O\n0.579923 0.173455 0.172534 O\n0.580400 0.169600 0.580400 O\n0.172534 0.574088 0.579923 O\n0.172534 0.173455 0.579923 O\n0.171159 0.578841 0.171158 O\n0.579923 0.574088 0.172534 O\n0.118397 0.131603 0.118396 F\n0.881603 0.868397 0.881603 F\n",
"nsites": 22,
"nelements": 5,
"elements": [
"Yb",
"Ti",
"Cd",
"O",
"F"
],
"chemical_system": "Cd-F-O-Ti-Yb",
"density": 6.282594297346429,
"density_atomic": 0.08387712208805839,
"volume": 262.28844591142865,
"volume_molar": 7.179717913637591,
"formula_full": "Yb2 Ti4 Cd2 O12 F2",
"formula_reduced": "YbTi2CdO6F",
"formula_anonymous": "ABCD2E6",
"energy_above_hull": 1.863322581742424,
"spacegroup": 74
},
{
"id": "jvasp-18148",
"created_at": "2022-09-04T14:38:13.456907Z",
"updated_at": "2022-09-04T14:38:13.456923Z",
"structure_string": "Dy1 Cu2 Ge2\n1.0\n3.810040 -0.000000 -1.390171\n-0.507232 3.776125 -1.390171\n0.000181 0.000208 5.916668\nDy Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.749999 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.618981 0.618980 0.237961 Ge\n0.381019 0.381019 0.762039 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"Cu",
"Ge"
],
"chemical_system": "Cu-Dy-Ge",
"density": 8.482936750298508,
"density_atomic": 0.058736178905664925,
"volume": 85.126409193734,
"volume_molar": 10.252864371160484,
"formula_full": "Dy1 Cu2 Ge2",
"formula_reduced": "Dy(CuGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3633458599999998,
"spacegroup": 139
},
{
"id": "jvasp-44788",
"created_at": "2022-09-04T14:38:13.454374Z",
"updated_at": "2022-09-04T14:38:13.454387Z",
"structure_string": "Li1 Co6 O7\n1.0\n5.102915 -0.001202 -0.029752\n-0.851506 5.027544 -0.007238\n-0.825672 -0.992779 4.938837\nLi Co O\n1 6 7\ndirect\n0.000003 -0.000002 -0.000002 Li\n0.278762 0.571964 0.137772 Co\n0.137642 0.278022 0.571504 Co\n0.427848 0.861999 0.721675 Co\n0.572154 0.137997 0.278337 Co\n0.721223 0.428030 0.862229 Co\n0.862363 0.721982 0.428495 Co\n0.073403 0.642531 0.778221 O\n0.500002 0.500000 0.499999 O\n0.222032 0.926342 0.356990 O\n0.926586 0.357466 0.221769 O\n0.356862 0.221728 0.926331 O\n0.643143 0.778273 0.073676 O\n0.777979 0.073663 0.643005 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 6.202090660183997,
"density_atomic": 0.11065783661875168,
"volume": 126.51611876557877,
"volume_molar": 5.442127682965663,
"formula_full": "Li1 Co6 O7",
"formula_reduced": "LiCo6O7",
"formula_anonymous": "AB6C7",
"energy_above_hull": 3.224502135714286,
"spacegroup": 148
}
]
}