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=-nsites&page=536",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=534",
"results": [
{
"id": "jvasp-34817",
"created_at": "2022-09-04T14:37:12.089956Z",
"updated_at": "2022-09-04T14:37:12.089977Z",
"structure_string": "Sr2 Ni1 N6 O12\n1.0\n6.105254 -0.000000 3.524870\n2.035084 5.756088 3.524870\n0.000000 0.000000 7.049740\nSr Ni N O\n2 1 6 12\ndirect\n0.250000 0.250001 0.250000 Sr\n0.749999 0.750001 0.750000 Sr\n0.000000 0.000000 0.000000 Ni\n0.202425 0.202425 0.797575 N\n0.202426 0.797575 0.797574 N\n0.797574 0.202425 0.202427 N\n0.797574 0.202425 0.797575 N\n0.202426 0.797575 0.202426 N\n0.797573 0.797575 0.202426 N\n0.607997 -0.000000 0.999999 O\n-0.000000 -0.000000 0.607998 O\n0.607997 -0.000000 0.392003 O\n0.392002 0.000000 0.000001 O\n0.392004 0.607997 0.000000 O\n0.999998 0.392003 0.607997 O\n-0.000000 0.607997 0.392004 O\n0.999998 0.392003 0.000001 O\n0.392002 -0.000000 0.607997 O\n0.607996 0.392003 0.000000 O\n-0.000000 -0.000000 0.392003 O\n-0.000000 0.607997 0.000000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"Ni",
"N",
"O"
],
"chemical_system": "N-Ni-O-Sr",
"density": 3.418112861202708,
"density_atomic": 0.08476470069551521,
"volume": 247.74463695016718,
"volume_molar": 7.10453845832859,
"formula_full": "Sr2 Ni1 N6 O12",
"formula_reduced": "Sr2Ni(NO2)6",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 3.637732215238095,
"spacegroup": 225
},
{
"id": "jvasp-47710",
"created_at": "2022-09-04T14:37:29.046171Z",
"updated_at": "2022-09-04T14:37:29.046192Z",
"structure_string": "Li3 Co3 Si3 O12\n1.0\n2.740829 -4.747255 -0.000000\n2.740829 4.747255 -0.000000\n-0.000000 -0.000000 11.283955\nLi Co Si O\n3 3 3 12\ndirect\n0.000000 0.000000 0.333333 Li\n0.000000 0.000000 0.666667 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.333333 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.666667 Co\n0.500000 0.500000 0.833333 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.500000 0.166667 Si\n0.391763 0.221637 0.918771 O\n0.391763 0.170126 0.414561 O\n0.829874 0.221638 0.081228 O\n0.778363 0.170126 0.585438 O\n0.170126 0.778363 0.081228 O\n0.221637 0.391763 0.747894 O\n0.608237 0.778363 0.918771 O\n0.608237 0.829874 0.414561 O\n0.829874 0.608237 0.252106 O\n0.170126 0.391763 0.252106 O\n0.221638 0.829874 0.585438 O\n0.778363 0.608237 0.747894 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.6797494933593886,
"density_atomic": 0.071516038935005,
"volume": 293.6404240604707,
"volume_molar": 8.420685554848788,
"formula_full": "Li3 Co3 Si3 O12",
"formula_reduced": "LiCoSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.448583357142857,
"spacegroup": 180
},
{
"id": "jvasp-52877",
"created_at": "2022-09-04T14:37:06.522126Z",
"updated_at": "2022-09-04T14:37:06.522146Z",
"structure_string": "Mg1 H12 Cl2 O6\n1.0\n4.879763 3.472891 -0.330139\n-4.879763 3.472891 0.330139\n-0.005156 0.000000 6.126307\nMg H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.081860 0.319557 0.318962 H\n0.680443 0.918139 0.318962 H\n0.319556 0.081861 0.681038 H\n0.330805 0.279994 0.286020 H\n0.720006 0.669195 0.286020 H\n0.918139 0.680443 0.681038 H\n0.279994 0.330806 0.713981 H\n0.279038 0.720961 0.013046 H\n0.720961 0.279039 0.986954 H\n0.242816 0.757183 0.263912 H\n0.757183 0.242817 0.736089 H\n0.669194 0.720006 0.713981 H\n0.687862 0.312138 0.390886 Cl\n0.312138 0.687862 0.609114 Cl\n0.742721 0.829951 0.221696 O\n0.796161 0.203838 0.889242 O\n0.203838 0.796162 0.110759 O\n0.257278 0.170050 0.778305 O\n0.829950 0.742722 0.778305 O\n0.170049 0.257279 0.221696 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Mg",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Mg-O",
"density": 1.625916715198869,
"density_atomic": 0.10114056826664125,
"volume": 207.6318173795187,
"volume_molar": 5.954228716733696,
"formula_full": "Mg1 H12 Cl2 O6",
"formula_reduced": "MgH12(ClO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.640581342142857,
"spacegroup": 12
},
{
"id": "jvasp-50031",
"created_at": "2022-09-04T14:37:18.068251Z",
"updated_at": "2022-09-04T14:37:18.068265Z",
"structure_string": "Sr2 Ti6 N2 O11\n1.0\n3.849566 -0.002357 -0.000044\n-1.920324 7.512245 0.004905\n-0.000754 -1.496625 9.197391\nSr Ti N O\n2 6 2 11\ndirect\n0.459619 0.916426 0.211459 Sr\n0.553515 0.104223 0.753366 Sr\n0.878354 0.753872 0.900003 Ti\n0.835562 0.668319 0.571837 Ti\n0.768756 0.534729 0.237503 Ti\n0.237550 0.472305 0.768372 Ti\n0.165726 0.328659 0.433542 Ti\n0.123442 0.244110 0.078896 Ti\n0.767533 0.532269 0.751977 N\n0.159822 0.316876 0.902219 N\n0.127937 0.253079 0.612328 O\n0.637636 0.272493 0.124326 O\n0.702378 0.401957 0.429114 O\n0.240644 0.478499 0.244753 O\n0.938956 0.875101 0.711006 O\n0.367410 0.732007 0.897056 O\n0.835529 0.668236 0.091746 O\n0.873485 0.744212 0.382347 O\n0.063717 0.124624 0.307069 O\n0.306000 0.609200 0.566251 O\n-0.000868 0.995476 0.012988 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"Ti",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ti",
"density": 4.1609429647302285,
"density_atomic": 0.0789578237620847,
"volume": 265.9647771356654,
"volume_molar": 7.6270348814905065,
"formula_full": "Sr2 Ti6 N2 O11",
"formula_reduced": "Sr2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.39772322,
"spacegroup": 8
},
{
"id": "jvasp-91347",
"created_at": "2022-09-04T14:36:16.180880Z",
"updated_at": "2022-09-04T14:36:16.180905Z",
"structure_string": "Ho2 Ni12 P7\n1.0\n9.072249 0.000000 0.000000\n-4.536124 7.856798 -0.000000\n-0.000000 -0.000000 3.697679\nHo Ni P\n2 12 7\ndirect\n0.333333 0.666667 0.000000 Ho\n0.666667 0.333333 0.500000 Ho\n0.431596 0.049575 0.000000 Ni\n0.877970 0.152931 0.500000 Ni\n0.062041 0.627624 0.500000 Ni\n0.565584 0.937960 0.500000 Ni\n0.372376 0.434417 0.500000 Ni\n0.784395 0.906676 0.000000 Ni\n0.093325 0.877719 0.000000 Ni\n0.122281 0.215606 0.000000 Ni\n0.274961 0.122030 0.500000 Ni\n0.847070 0.725039 0.500000 Ni\n0.617979 0.568404 0.000000 Ni\n0.950426 0.382022 0.000000 Ni\n0.405426 0.294304 0.000000 P\n0.888879 0.594575 0.000000 P\n0.295218 0.886917 0.500000 P\n0.591700 0.704783 0.500000 P\n0.113083 0.408300 0.500000 P\n0.705696 0.111122 0.000000 P\n0.000000 0.000000 0.500000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"P"
],
"chemical_system": "Ho-Ni-P",
"density": 7.881627011782806,
"density_atomic": 0.07967636985441305,
"volume": 263.5662246958766,
"volume_molar": 7.558251927144558,
"formula_full": "Ho2 Ni12 P7",
"formula_reduced": "Ho2Ni12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 2.1422227825396827,
"spacegroup": 174
},
{
"id": "jvasp-52403",
"created_at": "2022-09-04T14:36:34.560627Z",
"updated_at": "2022-09-04T14:36:34.560658Z",
"structure_string": "Na2 Cu1 H4 C4 O10\n1.0\n3.528449 0.026786 -0.028603\n-1.708849 7.302858 0.023614\n-1.433370 -2.696973 9.040515\nNa Cu H C O\n2 1 4 4 10\ndirect\n0.689757 0.301526 0.576027 Na\n0.310243 0.698475 0.423972 Na\n0.000000 0.000000 0.000000 Cu\n0.468954 0.531949 0.801847 H\n0.531046 0.468052 0.198153 H\n0.346147 0.325918 0.827011 H\n0.653853 0.674083 0.172988 H\n0.738533 0.026002 0.257036 C\n0.261467 0.973999 0.742963 C\n0.040232 0.219145 0.278447 C\n0.959768 0.780856 0.721553 C\n0.293823 0.400912 0.757843 O\n0.188560 0.234572 0.164909 O\n0.811440 0.765429 0.835091 O\n0.672271 0.904502 0.127547 O\n0.327729 0.095499 0.872452 O\n0.125737 0.344273 0.398850 O\n0.874263 0.655728 0.601149 O\n0.576131 -0.001671 0.358689 O\n0.423870 0.001672 0.641310 O\n0.706178 0.599089 0.242157 O\n",
"nsites": 21,
"nelements": 5,
"elements": [
"Na",
"Cu",
"H",
"C",
"O"
],
"chemical_system": "C-Cu-H-Na-O",
"density": 2.290354433280673,
"density_atomic": 0.09006681836970575,
"volume": 233.16022904017018,
"volume_molar": 6.686303423398784,
"formula_full": "Na2 Cu1 H4 C4 O10",
"formula_reduced": "Na2CuH4(C2O5)2",
"formula_anonymous": "AB2C4D4E10",
"energy_above_hull": 3.36219445,
"spacegroup": 2
},
{
"id": "jvasp-43498",
"created_at": "2022-09-04T14:36:35.440981Z",
"updated_at": "2022-09-04T14:36:35.440997Z",
"structure_string": "Ba2 Ti6 N2 O11\n1.0\n3.904715 -0.001929 0.000543\n-1.948722 7.728349 -0.006629\n-0.001671 -1.266554 9.168893\nBa Ti N O\n2 6 2 11\ndirect\n0.547833 0.095852 0.773563 Ba\n0.448262 0.896776 0.235643 Ba\n0.113998 0.228240 0.094341 Ti\n0.170665 0.341574 0.439498 Ti\n0.239079 0.478315 0.771718 Ti\n0.750742 0.501735 0.220818 Ti\n0.831653 0.663516 0.559299 Ti\n0.883356 0.766877 0.911590 Ti\n0.639422 0.279093 0.111313 N\n0.997546 0.995281 0.000140 N\n0.831572 0.663343 0.088535 O\n0.358155 0.716471 0.882839 O\n0.298013 0.596233 0.571152 O\n0.243970 0.488179 0.251365 O\n0.074096 0.148447 0.302929 O\n0.702441 0.405124 0.428854 O\n0.167274 0.334749 0.908534 O\n0.130871 0.261920 0.617003 O\n0.875276 0.750806 0.390575 O\n0.755765 0.511710 0.753634 O\n0.925200 0.850586 0.704285 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"N",
"O"
],
"chemical_system": "Ba-N-O-Ti",
"density": 4.597381630456027,
"density_atomic": 0.07591538140093194,
"volume": 276.62378311837347,
"volume_molar": 7.932701711916938,
"formula_full": "Ba2 Ti6 N2 O11",
"formula_reduced": "Ba2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.436228901904762,
"spacegroup": 8
},
{
"id": "jvasp-104028",
"created_at": "2022-09-04T14:36:34.114477Z",
"updated_at": "2022-09-04T14:36:34.114495Z",
"structure_string": "H12 C5 O4\n1.0\n5.251365 0.133731 -2.787469\n-1.841059 4.919881 -2.787469\n-0.090245 -0.133731 5.944635\nH C O\n12 5 4\ndirect\n0.948638 0.116872 0.687509 H\n0.734270 0.405482 0.131340 H\n0.397070 0.265731 0.671212 H\n0.594518 0.725857 0.328786 H\n0.560990 0.823719 0.756017 H\n0.067701 0.804973 0.243981 H\n0.274142 0.602929 0.868659 H\n0.176281 0.932298 0.737270 H\n0.738873 0.051362 0.168235 H\n0.883128 0.570637 0.831764 H\n0.429362 0.261127 0.312490 H\n0.195027 0.439010 0.262728 H\n0.000000 0.000000 0.000000 C\n0.982588 0.946668 0.711180 C\n0.235487 0.271407 0.288819 C\n0.053332 0.764513 0.035920 C\n0.728593 0.017412 0.964079 C\n0.767805 0.692228 0.430059 O\n0.307772 0.737831 0.075577 O\n0.662253 0.232195 0.924421 O\n0.262169 0.337747 0.569940 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.495195302317874,
"density_atomic": 0.13888713612846276,
"volume": 151.2019081491909,
"volume_molar": 4.335996066928661,
"formula_full": "H12 C5 O4",
"formula_reduced": "H12C5O4",
"formula_anonymous": "A4B5C12",
"energy_above_hull": 4.243426857142857,
"spacegroup": 82
},
{
"id": "jvasp-29669",
"created_at": "2022-09-04T14:37:03.839779Z",
"updated_at": "2022-09-04T14:37:03.839799Z",
"structure_string": "Cd7 I14\n1.0\n4.286250 0.000000 -0.000000\n-2.143124 3.712001 -0.000000\n-0.000000 -0.000000 48.104887\nCd I\n7 14\ndirect\n0.666667 0.333333 0.035749 Cd\n0.333334 0.666667 0.607115 Cd\n0.333334 0.666667 0.892834 Cd\n0.333334 0.666667 0.749979 Cd\n0.333334 0.666667 0.178639 Cd\n0.333334 0.666667 0.464293 Cd\n0.333334 0.666667 0.321424 Cd\n0.000000 0.000000 0.713939 I\n0.000000 0.000000 0.571072 I\n0.666667 0.333333 0.786012 I\n0.666667 0.333333 0.500331 I\n0.000000 0.000000 0.999692 I\n0.666667 0.333333 0.643155 I\n0.333334 0.666667 0.071771 I\n0.666667 0.333333 0.928867 I\n0.000000 0.000000 0.856791 I\n0.666667 0.333333 0.357461 I\n0.666667 0.333333 0.214662 I\n0.000000 0.000000 0.142583 I\n0.000000 0.000000 0.428247 I\n0.000000 0.000000 0.285382 I\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.561786878206071,
"density_atomic": 0.027437498462742932,
"volume": 765.3758970962919,
"volume_molar": 21.948578031548312,
"formula_full": "Cd7 I14",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00018,
"spacegroup": 156
},
{
"id": "jvasp-103837",
"created_at": "2022-09-04T14:36:56.763429Z",
"updated_at": "2022-09-04T14:36:56.763440Z",
"structure_string": "H7 C11 S2 N1\n1.0\n3.795522 0.001345 -0.719407\n-0.499967 6.344717 -0.354973\n-0.130431 -0.129983 9.779254\nH C S N\n7 11 2 1\ndirect\n0.874943 0.778940 0.626658 H\n0.131385 0.953345 0.251168 H\n0.279904 0.779559 0.485843 H\n0.654416 0.906575 0.042283 H\n0.621887 0.334662 0.944562 H\n0.303123 0.182807 0.709557 H\n0.184882 0.929285 0.858952 H\n0.213835 0.765347 0.825793 C\n0.040720 0.679931 0.694055 C\n0.426847 0.643361 0.917525 C\n0.072755 0.468710 0.648958 C\n0.447591 0.429512 0.876847 C\n0.775880 0.672622 0.166049 C\n0.902797 0.379451 0.505937 C\n0.910936 0.509691 0.393821 C\n0.020525 0.797816 0.267657 C\n0.095138 0.705529 0.394364 C\n0.271290 0.344902 0.744527 C\n0.695778 0.136943 0.476690 S\n0.651769 0.432243 0.225700 S\n0.623452 0.746669 0.041741 N\n",
"nsites": 21,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"N"
],
"chemical_system": "C-H-N-S",
"density": 1.5375763402188942,
"density_atomic": 0.08948025498788321,
"volume": 234.6886472646247,
"volume_molar": 6.730133660007424,
"formula_full": "H7 C11 S2 N1",
"formula_reduced": "H7C11S2N",
"formula_anonymous": "AB2C7D11",
"energy_above_hull": 5.636360154761905,
"spacegroup": 1
},
{
"id": "jvasp-103869",
"created_at": "2022-09-04T14:36:40.533341Z",
"updated_at": "2022-09-04T14:36:40.533359Z",
"structure_string": "Sn1 H10 C6 O4\n1.0\n4.772925 -0.033913 0.642250\n1.116640 6.057171 1.354479\n-0.015159 0.180457 6.669512\nSn H C O\n1 10 6 4\ndirect\n0.012994 0.821168 0.692737 Sn\n0.783276 0.729501 0.381560 H\n0.988097 0.482602 0.522290 H\n0.242787 0.912793 0.003897 H\n0.861320 0.957810 0.046725 H\n0.164746 0.684511 0.338777 H\n0.817920 0.223979 0.259009 H\n0.591770 0.437786 0.351586 H\n0.208048 0.418340 0.126430 H\n0.434206 0.204538 0.033845 H\n0.037968 0.159706 0.863192 H\n0.043178 0.983296 0.932705 C\n0.982869 0.659013 0.452776 C\n0.470178 0.125480 0.467381 C\n0.555790 0.516848 0.918060 C\n0.591754 0.290663 0.290256 C\n0.434217 0.351658 0.095180 C\n0.786418 0.577528 0.938752 O\n0.600615 0.056474 0.632186 O\n0.239512 0.064840 0.446727 O\n0.425392 0.585823 0.753234 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.289488728997282,
"density_atomic": 0.10932179706326288,
"volume": 192.09343940666852,
"volume_molar": 5.508636815140423,
"formula_full": "Sn1 H10 C6 O4",
"formula_reduced": "SnH10(C3O2)2",
"formula_anonymous": "AB4C6D10",
"energy_above_hull": 4.321676461904762,
"spacegroup": 2
},
{
"id": "jvasp-103872",
"created_at": "2022-09-04T14:36:47.764684Z",
"updated_at": "2022-09-04T14:36:47.764695Z",
"structure_string": "Sn1 H10 C6 O4\n1.0\n4.766386 -0.063273 -0.064045\n-0.854146 6.050266 -0.502140\n0.060752 -0.270936 6.862455\nSn H C O\n1 10 6 4\ndirect\n0.859829 0.845708 0.343503 Sn\n0.909358 0.628495 0.658080 H\n0.093860 0.511454 0.452176 H\n0.250758 0.146794 0.211088 H\n0.909678 0.228327 0.175867 H\n0.715810 0.443011 0.461104 H\n0.760829 0.251087 0.753496 H\n0.529562 0.109611 0.910689 H\n0.197720 0.396621 0.911375 H\n0.412891 0.534007 0.744345 H\n0.019941 0.007138 0.011439 H\n0.030046 0.089369 0.162554 C\n0.898379 0.572808 0.500326 C\n0.369624 0.078471 0.621855 C\n0.593742 0.571370 0.029459 C\n0.537925 0.217240 0.792346 C\n0.416995 0.429913 0.864298 C\n0.854796 0.560296 0.050979 O\n0.103698 0.078999 0.611796 O\n0.489627 0.956774 0.491277 O\n0.476565 0.708162 0.150139 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.2337115969400307,
"density_atomic": 0.1066584704286722,
"volume": 196.89012898458674,
"volume_molar": 5.646190814284464,
"formula_full": "Sn1 H10 C6 O4",
"formula_reduced": "SnH10(C3O2)2",
"formula_anonymous": "AB4C6D10",
"energy_above_hull": 4.322264557142857,
"spacegroup": 1
}
]
}