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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=901",
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"results": [
{
"id": "jvasp-56902",
"created_at": "2022-09-04T14:36:49.710360Z",
"updated_at": "2022-09-04T14:36:49.710391Z",
"structure_string": "Ba1 Si6 N8\n1.0\n4.540896 -0.000000 1.791625\n1.900885 6.095403 1.832475\n0.003002 0.003757 6.642683\nBa Si N\n1 6 8\ndirect\n0.168171 0.000000 -0.000000 Ba\n0.812493 0.540720 0.137669 Si\n0.490882 0.459280 0.862330 Si\n0.490883 0.862330 0.459280 Si\n0.812492 0.137670 0.540719 Si\n0.018411 0.627914 0.627914 Si\n0.274239 0.372086 0.372086 Si\n0.984031 0.317514 0.317513 N\n0.500886 0.119118 0.478940 N\n0.098945 0.880882 0.521060 N\n0.709194 0.785546 0.214454 N\n0.500887 0.478940 0.119117 N\n0.098944 0.521060 0.880882 N\n0.709193 0.214454 0.785545 N\n0.619058 0.682486 0.682486 N\n",
"nsites": 15,
"nelements": 3,
"elements": [
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"Si",
"N"
],
"chemical_system": "Ba-N-Si",
"density": 3.775273212534936,
"density_atomic": 0.08160651431799716,
"volume": 183.8088555228484,
"volume_molar": 7.379485339287311,
"formula_full": "Ba1 Si6 N8",
"formula_reduced": "Ba(Si3N4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.869338904666667,
"spacegroup": 44
},
{
"id": "jvasp-53544",
"created_at": "2022-09-04T14:36:49.787685Z",
"updated_at": "2022-09-04T14:36:49.787697Z",
"structure_string": "Cr4 Cu3 Te8\n1.0\n6.929265 -0.026511 4.031363\n2.284759 6.541811 4.031363\n-0.000000 -0.000000 8.062725\nCr Cu Te\n4 3 8\ndirect\n0.489847 0.000085 0.505033 Cr\n0.494314 0.494315 0.995796 Cr\n0.494314 0.494315 0.515574 Cr\n0.000085 0.489847 0.505033 Cr\n0.126479 0.126479 0.123521 Cu\n0.897570 0.897571 0.352429 Cu\n0.871765 0.871766 0.878233 Cu\n0.254351 0.254351 0.261908 Te\n0.281594 0.722285 0.248060 Te\n0.254351 0.254351 0.729390 Te\n0.722284 0.281594 0.248060 Te\n0.267275 0.740288 0.746218 Te\n0.740288 0.267275 0.746218 Te\n0.738838 0.738839 0.272084 Te\n0.738838 0.738839 0.750238 Te\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Cr",
"Cu",
"Te"
],
"chemical_system": "Cr-Cu-Te",
"density": 6.440414383403525,
"density_atomic": 0.040986828849877165,
"volume": 365.97122590138986,
"volume_molar": 14.69286824325285,
"formula_full": "Cr4 Cu3 Te8",
"formula_reduced": "Cr4Cu3Te8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.076450205555555,
"spacegroup": 44
},
{
"id": "jvasp-107512",
"created_at": "2022-09-04T14:36:50.367160Z",
"updated_at": "2022-09-04T14:36:50.367185Z",
"structure_string": "Tm1 U1 Te4\n1.0\n5.652903 0.000704 -5.587446\n-0.497362 4.000220 -6.850236\n0.042266 -0.000704 7.948149\nTm U Te\n1 1 4\ndirect\n0.138537 0.138537 -0.000000 Tm\n0.864167 0.864167 -0.000002 U\n0.704067 0.204067 0.499999 Te\n0.294725 0.794725 0.500000 Te\n0.750509 0.499252 0.251256 Te\n0.247996 0.499253 0.748744 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"U",
"Te"
],
"chemical_system": "Te-Tm-U",
"density": 8.43249837941151,
"density_atomic": 0.03321369113912301,
"volume": 180.64839511115014,
"volume_molar": 18.131501057124034,
"formula_full": "Tm1 U1 Te4",
"formula_reduced": "TmUTe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8666568861111117,
"spacegroup": 44
},
{
"id": "jvasp-102667",
"created_at": "2022-09-04T14:36:51.424172Z",
"updated_at": "2022-09-04T14:36:51.424193Z",
"structure_string": "Th2 Si3 Ir1\n1.0\n4.077228 -0.015865 -6.566246\n-0.311526 3.959645 -6.630519\n-0.001961 0.015865 7.729125\nTh Si Ir\n2 3 1\ndirect\n0.751514 0.251513 0.499999 Th\n0.001256 0.001256 -0.000000 Th\n0.583718 0.583717 -0.000002 Si\n0.331681 0.831680 0.499998 Si\n0.416756 0.416756 -0.000001 Si\n0.165076 0.665076 0.499999 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Th",
"density": 9.825599019208068,
"density_atomic": 0.04794099309545568,
"volume": 125.1538529469624,
"volume_molar": 12.561568651715806,
"formula_full": "Th2 Si3 Ir1",
"formula_reduced": "Th2Si3Ir",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.6879480166666654,
"spacegroup": 44
},
{
"id": "jvasp-104962",
"created_at": "2022-09-04T14:36:51.679609Z",
"updated_at": "2022-09-04T14:36:51.679639Z",
"structure_string": "Er2 Cu1 Si3\n1.0\n3.895162 -0.002620 -6.361508\n-0.289840 3.774538 -6.427281\n-0.001098 0.002620 7.459294\nEr Cu Si\n2 1 3\ndirect\n0.753913 0.253914 0.499999 Er\n0.997388 0.997389 -0.000000 Er\n0.163443 0.663443 0.500000 Cu\n0.587949 0.587950 -0.000000 Si\n0.326757 0.826758 0.500000 Si\n0.420547 0.420547 -0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Cu",
"Si"
],
"chemical_system": "Cu-Er-Si",
"density": 7.30038604354404,
"density_atomic": 0.05469054585706563,
"volume": 109.70817544372422,
"volume_molar": 11.011301250748044,
"formula_full": "Er2 Cu1 Si3",
"formula_reduced": "Er2CuSi3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0540510416666664,
"spacegroup": 44
},
{
"id": "jvasp-79983",
"created_at": "2022-09-04T14:36:52.696379Z",
"updated_at": "2022-09-04T14:36:52.696407Z",
"structure_string": "Mg1 Rh3\n1.0\n2.775304 -0.000000 -0.000000\n1.387653 -2.374361 4.386624\n0.000000 -4.748726 0.000000\nMg Rh\n1 3\ndirect\n0.749998 0.500001 0.084759 Mg\n0.995919 0.008159 0.001021 Rh\n0.504079 0.991842 0.509181 Rh\n0.249999 0.500001 0.571703 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Rh"
],
"chemical_system": "Mg-Rh",
"density": 9.565403317734656,
"density_atomic": 0.06918977330349647,
"volume": 57.81201193497568,
"volume_molar": 8.703801837280588,
"formula_full": "Mg1 Rh3",
"formula_reduced": "MgRh3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.8829920125,
"spacegroup": 44
},
{
"id": "jvasp-18508",
"created_at": "2022-09-04T14:36:53.524116Z",
"updated_at": "2022-09-04T14:36:53.524142Z",
"structure_string": "Si2 Ni1 P3\n1.0\n3.412471 -0.000000 -0.974216\n-0.633334 4.812804 -2.218434\n-0.004743 0.011757 6.447073\nSi Ni P\n2 1 3\ndirect\n0.835041 0.077910 0.670081 Si\n0.164960 0.407828 0.329918 Si\n0.500001 0.753174 0.000000 Ni\n0.000001 0.994388 0.000001 P\n0.338081 0.349728 0.676158 P\n0.661921 0.673570 0.323842 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Si",
"Ni",
"P"
],
"chemical_system": "Ni-P-Si",
"density": 3.256353134806637,
"density_atomic": 0.05662627871926567,
"volume": 105.95787213470291,
"volume_molar": 10.634887010421044,
"formula_full": "Si2 Ni1 P3",
"formula_reduced": "Si2NiP3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.953912683333334,
"spacegroup": 44
},
{
"id": "jvasp-50969",
"created_at": "2022-09-04T14:36:54.380028Z",
"updated_at": "2022-09-04T14:36:54.380049Z",
"structure_string": "Ta2 Cu1 O6\n1.0\n5.214227 0.002155 0.004548\n2.605171 4.699379 -0.130225\n2.602724 1.364049 4.500868\nTa Cu O\n2 1 6\ndirect\n0.008152 -0.002909 0.997353 Ta\n0.502496 0.502722 0.503022 Ta\n0.330354 0.249911 0.250167 Cu\n0.650802 0.838980 0.290436 O\n0.280135 0.660861 0.209924 O\n0.904291 0.249906 0.250177 O\n0.142320 0.749904 0.750191 O\n0.651010 0.290429 0.839095 O\n0.280435 0.209399 0.661237 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ta",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ta",
"density": 7.790204709264377,
"density_atomic": 0.08097285858817008,
"volume": 111.14835460823014,
"volume_molar": 7.437233741035073,
"formula_full": "Ta2 Cu1 O6",
"formula_reduced": "Ta2CuO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.3402810944444448,
"spacegroup": 44
},
{
"id": "jvasp-104969",
"created_at": "2022-09-04T14:36:55.159427Z",
"updated_at": "2022-09-04T14:36:55.159440Z",
"structure_string": "Cd4 Te5 Pb1\n1.0\n6.486898 0.022425 -11.066390\n-0.194509 4.620028 -11.965068\n-0.041098 -0.022425 12.827437\nCd Te Pb\n4 5 1\ndirect\n0.394701 0.393645 0.001056 Cd\n0.785136 0.793388 0.991749 Cd\n0.198361 0.206614 0.991749 Cd\n0.607412 0.606355 0.001056 Cd\n0.632748 0.889000 0.743748 Te\n0.038470 0.300773 0.737699 Te\n0.436927 0.699229 0.737699 Te\n0.854748 0.111000 0.743748 Te\n0.303755 0.500001 0.803756 Te\n0.997742 0.000000 0.997742 Pb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cd",
"Te",
"Pb"
],
"chemical_system": "Cd-Pb-Te",
"density": 5.649181084839902,
"density_atomic": 0.02627356166719082,
"volume": 380.6107495691201,
"volume_molar": 22.920915086743506,
"formula_full": "Cd4 Te5 Pb1",
"formula_reduced": "Cd4Te5Pb",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 44
},
{
"id": "jvasp-104696",
"created_at": "2022-09-04T14:36:55.821086Z",
"updated_at": "2022-09-04T14:36:55.821106Z",
"structure_string": "Sm2 Si3 Pd1\n1.0\n4.073342 -0.003469 -6.606628\n-0.293155 3.850258 -6.732699\n0.001629 0.003469 7.761420\nSm Si Pd\n2 3 1\ndirect\n0.130196 0.130196 0.000000 Sm\n0.370083 0.870083 0.500001 Sm\n0.704071 0.704071 0.000000 Si\n0.540416 0.540416 0.000000 Si\n0.794887 0.294887 0.500000 Si\n0.960349 0.460349 0.500000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Sm",
"density": 6.696013474000681,
"density_atomic": 0.049236413794429466,
"volume": 121.8610279995419,
"volume_molar": 12.231071062859044,
"formula_full": "Sm2 Si3 Pd1",
"formula_reduced": "Sm2Si3Pd",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.471341541666667,
"spacegroup": 44
},
{
"id": "jvasp-102789",
"created_at": "2022-09-04T14:36:55.433235Z",
"updated_at": "2022-09-04T14:36:55.433262Z",
"structure_string": "Ce2 Ge3 Rh1\n1.0\n4.138349 0.009559 -6.883705\n-0.300074 3.922311 -7.002632\n0.015584 -0.009559 8.031879\nCe Ge Rh\n2 3 1\ndirect\n0.121908 0.121908 0.000000 Ce\n0.378184 0.878183 0.500000 Ce\n0.703656 0.703656 0.000001 Ge\n0.537689 0.537688 0.000000 Ge\n0.798084 0.298084 0.500000 Ge\n0.960483 0.460483 0.500000 Rh\n",
"nsites": 6,
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"elements": [
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"Ge",
"Rh"
],
"chemical_system": "Ce-Ge-Rh",
"density": 7.647028768159034,
"density_atomic": 0.04597046071652464,
"volume": 130.51859621331198,
"volume_molar": 13.100022636569461,
"formula_full": "Ce2 Ge3 Rh1",
"formula_reduced": "Ce2Ge3Rh",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.651541975,
"spacegroup": 44
},
{
"id": "jvasp-107199",
"created_at": "2022-09-04T14:36:56.058279Z",
"updated_at": "2022-09-04T14:36:56.058288Z",
"structure_string": "Mg1 Sc3\n1.0\n4.944505 -0.002504 -3.614214\n-0.445062 3.095866 -5.265759\n0.009897 0.002504 6.124588\nMg Sc\n1 3\ndirect\n0.169065 0.500000 0.669065 Mg\n0.757967 0.753993 0.003978 Sc\n0.249986 0.246010 0.003976 Sc\n0.656367 -0.000000 0.656367 Sc\n",
"nsites": 4,
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"elements": [
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],
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"density": 2.8140643822637834,
"density_atomic": 0.04258692097508802,
"volume": 93.92555057783754,
"volume_molar": 14.140822163505927,
"formula_full": "Mg1 Sc3",
"formula_reduced": "MgSc3",
"formula_anonymous": "AB3",
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"spacegroup": 44
}
]
}