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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=95",
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"results": [
{
"id": "jvasp-27661",
"created_at": "2022-09-04T14:37:20.166148Z",
"updated_at": "2022-09-04T14:37:20.166158Z",
"structure_string": "Zn4 Fe6 O16\n1.0\n2.848062 -4.932989 -0.000000\n2.848062 4.932989 0.000000\n-0.000000 -0.000000 9.358417\nZn Fe O\n4 6 16\ndirect\n0.666667 0.333333 0.971143 Zn\n0.333333 0.666667 0.471143 Zn\n0.666667 0.333333 0.571603 Zn\n0.333333 0.666667 0.071603 Zn\n0.162113 0.324226 0.754732 Fe\n0.837887 0.162112 0.254731 Fe\n0.324226 0.162113 0.254731 Fe\n0.837886 0.675773 0.254731 Fe\n0.675773 0.837886 0.754732 Fe\n0.162112 0.837887 0.754732 Fe\n0.482378 0.517621 0.639352 O\n0.964756 0.482378 0.139351 O\n0.333333 0.666667 0.859443 O\n0.000000 0.000000 0.147216 O\n0.000000 0.000000 0.647216 O\n0.517621 0.482378 0.139351 O\n0.035244 0.517621 0.639352 O\n0.157229 0.842770 0.358282 O\n0.157230 0.314460 0.358282 O\n0.314460 0.157230 0.858282 O\n0.842770 0.157229 0.858282 O\n0.482378 0.964756 0.639352 O\n0.685539 0.842770 0.358282 O\n0.842770 0.685539 0.858282 O\n0.517621 0.035244 0.139351 O\n0.666667 0.333333 0.359443 O\n",
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"formula_full": "Zn4 Fe6 O16",
"formula_reduced": "Zn2Fe3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.386885023076923,
"spacegroup": 186
},
{
"id": "jvasp-9289",
"created_at": "2022-09-04T14:37:33.438892Z",
"updated_at": "2022-09-04T14:37:33.438922Z",
"structure_string": "Zn4 Fe4 O8\n1.0\n3.038462 0.010021 -0.007982\n-0.122730 7.829567 0.043737\n-0.694552 0.005261 8.050792\nZn Fe O\n4 4 8\ndirect\n0.350957 0.052064 0.703516 Zn\n0.624815 0.927854 0.268288 Zn\n0.769775 0.736456 0.896027 Zn\n0.205973 0.243458 0.075768 Zn\n0.016285 0.310159 0.408813 Fe\n0.709706 0.401602 0.734448 Fe\n0.266066 0.578321 0.237345 Fe\n-0.040523 0.669751 0.562985 Fe\n0.436066 0.737820 0.425671 O\n0.741857 0.393746 0.188320 O\n0.233908 0.586171 0.783479 O\n0.539700 0.242095 0.546129 O\n0.128447 0.084270 0.256662 O\n0.212680 0.250527 0.844019 O\n0.847318 0.895647 0.715135 O\n0.763079 0.729393 0.127778 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.3157627678434896,
"density_atomic": 0.08355415795543952,
"volume": 191.4925647211118,
"volume_molar": 7.207469870274659,
"formula_full": "Zn4 Fe4 O8",
"formula_reduced": "ZnFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.371790725,
"spacegroup": 2
},
{
"id": "jvasp-9831",
"created_at": "2022-09-04T14:38:34.338953Z",
"updated_at": "2022-09-04T14:38:34.338970Z",
"structure_string": "Zn4 Fe4 O8\n1.0\n3.014382 -0.054479 -0.020586\n-1.280678 -7.814727 0.028831\n-1.314013 0.229709 -8.090007\nZn Fe O\n4 4 8\ndirect\n0.413674 0.052696 0.295718 Zn\n0.590523 0.927221 0.732476 Zn\n0.839124 0.735379 0.100482 Zn\n0.165027 0.244534 0.927723 Zn\n0.357762 0.305399 0.597452 Fe\n0.816887 0.404223 0.266596 Fe\n0.187238 0.575696 0.761606 Fe\n0.646396 0.674524 0.430753 Fe\n0.225915 0.736187 0.574839 O\n0.681347 0.394149 0.820555 O\n0.322802 0.585766 0.207653 O\n0.778237 0.243735 0.453365 O\n0.156980 0.086865 0.743304 O\n0.231508 0.246648 0.159227 O\n-0.152792 0.893050 0.284899 O\n0.772605 0.733265 0.868976 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.320089623224035,
"density_atomic": 0.08362216828127712,
"volume": 191.3368228647376,
"volume_molar": 7.201607999141477,
"formula_full": "Zn4 Fe4 O8",
"formula_reduced": "ZnFeO2",
"formula_anonymous": "ABC2",
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"spacegroup": 2
},
{
"id": "jvasp-49616",
"created_at": "2022-09-04T14:36:32.838489Z",
"updated_at": "2022-09-04T14:36:32.838507Z",
"structure_string": "Zn4 Fe4 O12\n1.0\n0.000000 5.004141 0.000367\n5.063949 0.000000 0.000000\n0.000000 -5.003550 -7.286794\nZn Fe O\n4 4 12\ndirect\n0.254199 0.044863 0.250006 Zn\n0.254198 0.455137 0.750006 Zn\n0.745801 0.544863 0.249993 Zn\n0.745800 0.955137 0.749993 Zn\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.499999 0.500000 0.500000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.755230 0.188783 0.939343 O\n0.376543 0.311216 0.060660 O\n0.623456 0.688784 0.939339 O\n0.244769 0.811217 0.060656 O\n0.376543 0.188784 0.560660 O\n0.865262 0.944100 0.249996 O\n0.134738 0.444100 0.250003 O\n0.134737 0.055900 0.750003 O\n0.244769 0.688783 0.560656 O\n0.865261 0.555900 0.749996 O\n0.755230 0.311217 0.439344 O\n0.623456 0.811216 0.439339 O\n",
"nsites": 20,
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"density": 6.0884946556645945,
"density_atomic": 0.10831697267625126,
"volume": 184.64326970970677,
"volume_molar": 5.559738802892492,
"formula_full": "Zn4 Fe4 O12",
"formula_reduced": "ZnFeO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-110119",
"created_at": "2022-09-04T14:37:59.950639Z",
"updated_at": "2022-09-04T14:37:59.950671Z",
"structure_string": "Zn4 Fe1 Se5\n1.0\n4.008196 0.001508 16.186967\n1.975559 3.487522 16.186967\n0.002587 0.001508 16.675836\nZn Fe Se\n4 1 5\ndirect\n0.399741 0.399740 0.399740 Zn\n0.800013 0.800012 0.800011 Zn\n0.200221 0.200220 0.200220 Zn\n0.600467 0.600466 0.600465 Zn\n-0.000314 -0.000314 -0.000314 Fe\n0.049119 0.049119 0.049119 Se\n0.449809 0.449809 0.449808 Se\n0.850041 0.850040 0.850038 Se\n0.250256 0.250256 0.250256 Se\n0.650654 0.650654 0.650652 Se\n",
"nsites": 10,
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"elements": [
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"Fe",
"Se"
],
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"density": 5.079303261685546,
"density_atomic": 0.04294411786242807,
"volume": 232.8607617936199,
"volume_molar": 14.023202850020093,
"formula_full": "Zn4 Fe1 Se5",
"formula_reduced": "Zn4FeSe5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.4316323933333331,
"spacegroup": 160
},
{
"id": "jvasp-107724",
"created_at": "2022-09-04T14:38:48.149540Z",
"updated_at": "2022-09-04T14:38:48.149568Z",
"structure_string": "Zn4 Fe1 S5\n1.0\n3.800460 0.002022 15.360699\n1.873715 3.306463 15.360699\n0.003468 0.002022 15.823860\nZn Fe S\n4 1 5\ndirect\n0.000341 0.000341 0.000341 Zn\n0.600028 0.600027 0.600029 Zn\n0.199726 0.199726 0.199726 Zn\n0.799407 0.799405 0.799409 Zn\n0.400393 0.400393 0.400394 Fe\n0.950268 0.950266 0.950270 S\n0.549985 0.549984 0.549986 S\n0.149694 0.149694 0.149694 S\n0.749254 0.749252 0.749255 S\n0.350905 0.350904 0.350906 S\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.9960878151921464,
"density_atomic": 0.05036563651508002,
"volume": 198.5480715012088,
"volume_molar": 11.956844342068239,
"formula_full": "Zn4 Fe1 S5",
"formula_reduced": "Zn4FeS5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.7153807099999999,
"spacegroup": 160
},
{
"id": "jvasp-10157",
"created_at": "2022-09-04T14:37:10.181338Z",
"updated_at": "2022-09-04T14:37:10.181356Z",
"structure_string": "Zn4 F8\n1.0\n4.707679 0.000000 0.000000\n-0.000000 5.213994 0.000000\n0.000000 0.000000 5.739326\nZn F\n4 8\ndirect\n0.500000 0.749999 0.662803 Zn\n0.000000 0.250000 0.837198 Zn\n0.500000 0.250000 0.337197 Zn\n0.000000 0.749999 0.162803 Zn\n0.732591 0.079848 0.610997 F\n0.232591 0.920151 0.889004 F\n0.767409 0.579847 0.889004 F\n0.267409 0.420152 0.610997 F\n0.732591 0.579847 0.389004 F\n0.232591 0.420152 0.110997 F\n0.767409 0.079848 0.110997 F\n0.267409 0.920151 0.389004 F\n",
"nsites": 12,
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"elements": [
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"density": 4.875461726397899,
"density_atomic": 0.08518104877863181,
"volume": 140.87640586799483,
"volume_molar": 7.069812882499623,
"formula_full": "Zn4 F8",
"formula_reduced": "ZnF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00046,
"spacegroup": 60
},
{
"id": "jvasp-21326",
"created_at": "2022-09-04T14:37:06.913699Z",
"updated_at": "2022-09-04T14:37:06.913709Z",
"structure_string": "Zn4 Cu2 W2 O12\n1.0\n0.000000 5.001263 0.007954\n5.107185 0.000000 0.000000\n0.000000 -4.888541 -8.571515\nZn Cu W O\n4 2 2 12\ndirect\n0.255090 0.973341 0.263319 Zn\n0.744911 0.473341 0.236682 Zn\n0.744911 0.026660 0.736682 Zn\n0.255090 0.526660 0.763319 Zn\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.661669 0.116522 0.300939 O\n0.338331 0.616523 0.199062 O\n0.725817 0.691907 0.045447 O\n0.274184 0.191907 0.454554 O\n0.274184 0.308094 0.954554 O\n0.918522 0.198962 0.103207 O\n0.081479 0.801039 0.896794 O\n0.918522 0.301039 0.603207 O\n0.338332 0.883479 0.699062 O\n0.081478 0.698962 0.396794 O\n0.725817 0.808094 0.545447 O\n0.661669 0.383478 0.800939 O\n",
"nsites": 20,
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"elements": [
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"W",
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],
"chemical_system": "Cu-O-W-Zn",
"density": 7.199730476229512,
"density_atomic": 0.09143347491250424,
"volume": 218.73826866077957,
"volume_molar": 6.586363217369556,
"formula_full": "Zn4 Cu2 W2 O12",
"formula_reduced": "Zn2CuWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.091519225,
"spacegroup": 14
},
{
"id": "jvasp-19362",
"created_at": "2022-09-04T14:38:35.334605Z",
"updated_at": "2022-09-04T14:38:35.334624Z",
"structure_string": "Zn4 Cu2 Sb2 O12\n1.0\n0.000000 5.349300 -0.038243\n7.541319 0.000000 0.000000\n0.000000 -0.801380 -5.355337\nZn Cu Sb O\n4 2 2 12\ndirect\n0.561695 0.250000 0.529973 Zn\n0.438305 0.750000 0.470027 Zn\n0.017896 0.250000 0.061988 Zn\n0.982104 0.750000 0.938012 Zn\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n0.324447 0.441145 0.654931 O\n0.914729 0.250000 0.407820 O\n0.675553 0.941145 0.345069 O\n0.594892 0.750000 0.873519 O\n0.799492 0.074481 0.857686 O\n0.200508 0.925519 0.142314 O\n0.799492 0.425519 0.857686 O\n0.324447 0.058855 0.654931 O\n0.405108 0.250000 0.126481 O\n0.675553 0.558855 0.345069 O\n0.200508 0.574481 0.142314 O\n0.085271 0.750000 0.592181 O\n",
"nsites": 20,
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"elements": [
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"Sb",
"O"
],
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"density": 6.328601787734281,
"density_atomic": 0.09247717607013407,
"volume": 216.26957969426027,
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"formula_full": "Zn4 Cu2 Sb2 O12",
"formula_reduced": "Zn2CuSbO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 11
},
{
"id": "jvasp-11530",
"created_at": "2022-09-04T14:36:45.755302Z",
"updated_at": "2022-09-04T14:36:45.755318Z",
"structure_string": "Zn4 Cu2 N4\n1.0\n3.262997 0.000000 1.311379\n0.996953 5.379783 2.234574\n-0.851714 -0.181908 6.834462\nZn Cu N\n4 2 4\ndirect\n0.653275 0.188977 0.504476 Zn\n0.346727 0.811022 0.495523 Zn\n0.087910 0.602294 0.221885 Zn\n0.912091 0.397705 0.778115 Zn\n0.369666 0.160994 0.099675 Cu\n0.630335 0.839006 0.900324 Cu\n0.199032 0.241699 0.360237 N\n0.800969 0.758300 0.639762 N\n0.484648 0.224565 0.806140 N\n0.515354 0.775434 0.193859 N\n",
"nsites": 10,
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"elements": [
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],
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"density": 5.811971382840997,
"density_atomic": 0.07869619343659869,
"volume": 127.0709492201356,
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"formula_full": "Zn4 Cu2 N4",
"formula_reduced": "Zn2CuN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.47026755,
"spacegroup": 12
},
{
"id": "jvasp-49551",
"created_at": "2022-09-04T14:37:15.077390Z",
"updated_at": "2022-09-04T14:37:15.077410Z",
"structure_string": "Zn4 Cr8 O16\n1.0\n5.066235 0.000000 0.000000\n0.000000 5.856329 0.000000\n0.000000 0.000000 10.163358\nZn Cr O\n4 8 16\ndirect\n0.860409 0.500000 0.500000 Zn\n0.139592 0.000000 0.000000 Zn\n0.540351 0.500000 0.000000 Zn\n0.459650 0.000000 0.500000 Zn\n0.000000 0.750000 0.750000 Cr\n0.000000 0.250000 0.250000 Cr\n0.000000 0.750000 0.250000 Cr\n0.000000 0.250000 0.750000 Cr\n0.490227 0.500000 0.264207 Cr\n0.509774 0.000000 0.764207 Cr\n0.509774 0.000000 0.235793 Cr\n0.490227 0.500000 0.735793 Cr\n0.666066 0.752388 0.359029 O\n0.333935 0.252388 0.859029 O\n0.333935 0.747612 0.140971 O\n0.333935 0.747612 0.859029 O\n0.333935 0.252388 0.140971 O\n0.666066 0.247612 0.640971 O\n0.810163 0.500000 0.846548 O\n0.855114 0.000000 0.855968 O\n0.189838 0.000000 0.653452 O\n0.189838 0.000000 0.346548 O\n0.144887 0.500000 0.644032 O\n0.144887 0.500000 0.355968 O\n0.666066 0.247612 0.359029 O\n0.855114 0.000000 0.144032 O\n0.810163 0.500000 0.153452 O\n0.666066 0.752388 0.640971 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cr-O-Zn",
"density": 5.141143028465342,
"density_atomic": 0.0928560082433467,
"volume": 301.5421460571589,
"volume_molar": 6.485461602245322,
"formula_full": "Zn4 Cr8 O16",
"formula_reduced": "ZnCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.613161314285714,
"spacegroup": 59
},
{
"id": "jvasp-44379",
"created_at": "2022-09-04T14:38:14.622467Z",
"updated_at": "2022-09-04T14:38:14.622485Z",
"structure_string": "Zn4 Cr4 O16\n1.0\n5.004199 4.599764 -0.018242\n-5.004199 4.599764 0.018242\n-1.632005 0.000000 6.593858\nZn Cr O\n4 4 16\ndirect\n0.205446 0.794553 0.864163 Zn\n0.181670 0.181671 0.500000 Zn\n0.818328 0.818329 0.500000 Zn\n0.794553 0.205446 0.135837 Zn\n0.275776 0.724223 0.411139 Cr\n0.255078 0.255078 -0.000000 Cr\n0.744921 0.744921 -0.000000 Cr\n0.724223 0.275777 0.588862 Cr\n0.487305 0.218962 0.107052 O\n0.781037 0.512694 0.107052 O\n0.784863 0.513090 0.520584 O\n0.486909 0.215136 0.520584 O\n0.110585 0.199316 0.184531 O\n0.800683 0.889414 0.184531 O\n0.199316 0.110586 0.815469 O\n0.218962 0.487305 0.892948 O\n0.513090 0.784864 0.479416 O\n0.215135 0.486909 0.479416 O\n0.786975 0.213025 0.835196 O\n0.512694 0.781038 0.892948 O\n0.213024 0.786975 0.164805 O\n0.142653 0.857346 0.537069 O\n0.889414 0.800683 0.815469 O\n0.857346 0.142654 0.462931 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-O-Zn",
"density": 3.9728771927118003,
"density_atomic": 0.07913407799874696,
"volume": 303.28273996419125,
"volume_molar": 7.610047292261822,
"formula_full": "Zn4 Cr4 O16",
"formula_reduced": "ZnCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.080471966666668,
"spacegroup": 12
}
]
}