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"results": [
{
"id": "jvasp-50711",
"created_at": "2022-09-04T14:36:13.359396Z",
"updated_at": "2022-09-04T14:36:13.359412Z",
"structure_string": "Li4 Cu4 P4 O16\n1.0\n4.232058 0.000000 0.000000\n-0.000000 4.555303 0.000000\n0.000000 0.000000 15.005805\nLi Cu P O\n4 4 4 16\ndirect\n0.000000 0.250000 0.249494 Li\n0.000000 0.750000 0.750507 Li\n0.500000 0.750000 0.250507 Li\n0.500000 0.250000 0.749494 Li\n0.000000 0.750000 0.075933 Cu\n0.000000 0.250000 0.924068 Cu\n0.500000 0.250000 0.424067 Cu\n0.500000 0.750000 0.575933 Cu\n0.500000 0.250000 0.114791 P\n0.500000 0.750000 0.885209 P\n0.000000 0.250000 0.614791 P\n0.000000 0.750000 0.385209 P\n0.268901 0.572842 0.944165 O\n0.268901 0.072842 0.055836 O\n0.231100 0.572842 0.444165 O\n0.231100 0.072842 0.555836 O\n0.304117 0.964956 0.825946 O\n0.304117 0.464957 0.174055 O\n0.695884 0.535043 0.825946 O\n0.804117 0.035043 0.674055 O\n0.768901 0.427158 0.555836 O\n0.768901 0.927157 0.444165 O\n0.731100 0.927157 0.944165 O\n0.731100 0.427158 0.055836 O\n0.195884 0.964956 0.325945 O\n0.804117 0.535043 0.325945 O\n0.695884 0.035043 0.174055 O\n0.195884 0.464957 0.674055 O\n",
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"formula_full": "Li4 Cu4 P4 O16",
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{
"id": "jvasp-58413",
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"updated_at": "2022-09-04T14:37:36.809537Z",
"structure_string": "Li1 Si1 B1 O4\n1.0\n3.871875 0.000000 -2.101093\n-1.140169 3.700193 -2.101093\n0.013186 0.017860 4.642372\nLi Si B O\n1 1 1 4\ndirect\n0.500000 0.500000 0.000001 Li\n0.000000 0.000000 0.000000 Si\n0.250000 0.749999 0.500000 B\n0.144930 0.713901 0.743513 O\n0.598585 0.029611 0.743514 O\n0.970390 0.855069 0.256488 O\n0.286099 0.401416 0.256487 O\n",
"nsites": 7,
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"elements": [
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],
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"volume": 66.80039369262354,
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"formula_full": "Li1 Si1 B1 O4",
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"spacegroup": 82
},
{
"id": "jvasp-47237",
"created_at": "2022-09-04T14:38:09.140506Z",
"updated_at": "2022-09-04T14:38:09.140536Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n7.124838 -0.000000 -0.000000\n0.000000 7.124838 -0.000000\n-0.000000 -0.000000 7.124838\nLi Mn P O\n4 4 4 16\ndirect\n0.202298 0.702298 0.797703 Li\n0.297703 0.297703 0.297703 Li\n0.702298 0.797703 0.202298 Li\n0.797703 0.202298 0.702298 Li\n0.272459 0.727541 0.227541 Mn\n0.227541 0.272459 0.727541 Mn\n0.772459 0.772459 0.772459 Mn\n0.727541 0.227541 0.272459 Mn\n0.529893 0.470107 0.970107 P\n0.470107 0.970107 0.529893 P\n0.970107 0.529893 0.470107 P\n0.029893 0.029893 0.029893 P\n0.822007 0.021348 0.101886 O\n0.898114 0.322007 0.478652 O\n0.601887 0.677993 0.978653 O\n0.677993 0.978653 0.601887 O\n0.651468 0.348532 0.848532 O\n0.478652 0.898114 0.322007 O\n0.521348 0.398114 0.177993 O\n0.151468 0.151468 0.151468 O\n0.322007 0.478652 0.898114 O\n0.398114 0.177993 0.521348 O\n0.101886 0.822007 0.021348 O\n0.177993 0.521348 0.398114 O\n0.848532 0.651468 0.348532 O\n0.978653 0.601887 0.677993 O\n0.348532 0.848532 0.651468 O\n0.021348 0.101886 0.822007 O\n",
"nsites": 28,
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],
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"volume": 361.68040659221117,
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"formula_full": "Li4 Mn4 P4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 198
},
{
"id": "jvasp-11706",
"created_at": "2022-09-04T14:37:36.456305Z",
"updated_at": "2022-09-04T14:37:36.456326Z",
"structure_string": "V2 Ag2 Hg2 O8\n1.0\n5.495281 0.000000 -0.000000\n-2.747641 5.196334 -0.579799\n-0.000000 -0.249096 7.153845\nV Ag Hg O\n2 2 2 8\ndirect\n0.316807 0.625332 0.771815 V\n0.691474 0.374666 0.228185 V\n0.355414 0.729206 0.283648 Ag\n0.626207 0.270792 0.716353 Ag\n0.006142 -0.000000 0.000000 Hg\n0.965756 -0.000000 0.500000 Hg\n0.226112 0.732140 0.980035 O\n0.493971 0.267859 0.019965 O\n0.494974 0.235844 0.405924 O\n0.259130 0.764155 0.594077 O\n0.082671 0.276752 0.735239 O\n0.805918 0.723246 0.264762 O\n0.957134 0.289250 0.216870 O\n0.667884 0.710749 0.783131 O\n",
"nsites": 14,
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],
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"density_atomic": 0.06880058505845688,
"volume": 203.48664169214268,
"volume_molar": 8.75303713606977,
"formula_full": "V2 Ag2 Hg2 O8",
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"formula_anonymous": "ABCD4",
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"spacegroup": 5
},
{
"id": "jvasp-45835",
"created_at": "2022-09-04T14:38:01.454968Z",
"updated_at": "2022-09-04T14:38:01.454979Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n7.226637 -0.000000 0.000000\n0.000000 7.226637 0.000000\n0.000000 0.000000 7.226637\nLi V Si O\n4 4 4 16\ndirect\n0.250965 0.249035 0.750965 Li\n0.750965 0.250965 0.249035 Li\n0.749035 0.749035 0.749035 Li\n0.249035 0.750965 0.250965 Li\n0.808293 0.191708 0.691708 V\n0.308292 0.308292 0.308292 V\n0.191708 0.691708 0.808293 V\n0.691708 0.808293 0.191708 V\n0.967658 0.532342 0.467658 Si\n0.532342 0.467658 0.967658 Si\n0.467658 0.967658 0.532342 Si\n0.032342 0.032342 0.032342 Si\n0.115891 0.819199 0.029512 O\n0.470488 0.884109 0.319199 O\n0.970488 0.615892 0.680801 O\n0.615892 0.680801 0.970488 O\n0.838672 0.661329 0.338671 O\n0.319199 0.470488 0.884109 O\n0.180801 0.529512 0.384109 O\n0.161329 0.161329 0.161329 O\n0.884109 0.319199 0.470488 O\n0.529512 0.384109 0.180801 O\n0.029512 0.115891 0.819199 O\n0.384109 0.180801 0.529512 O\n0.338671 0.838672 0.661329 O\n0.680801 0.970488 0.615892 O\n0.661329 0.338671 0.838672 O\n0.819199 0.029512 0.115891 O\n",
"nsites": 28,
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"elements": [
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"V",
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"O"
],
"chemical_system": "Li-O-Si-V",
"density": 2.6393198092850083,
"density_atomic": 0.07419067296342893,
"volume": 377.4059309827549,
"volume_molar": 8.117113000132125,
"formula_full": "Li4 V4 Si4 O16",
"formula_reduced": "LiVSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.549456685714286,
"spacegroup": 198
},
{
"id": "jvasp-51974",
"created_at": "2022-09-04T14:37:37.024337Z",
"updated_at": "2022-09-04T14:37:37.024363Z",
"structure_string": "Ca4 Mg4 Si4 O16\n1.0\n5.203492 0.000000 0.000000\n0.000000 6.798789 0.000000\n0.000000 0.000000 9.124987\nCa Mg Si O\n4 4 4 16\ndirect\n0.023107 0.750000 0.355001 Ca\n0.976893 0.250000 0.644999 Ca\n0.523106 0.250000 0.144999 Ca\n0.476893 0.750000 0.855001 Ca\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.968841 0.750000 0.680708 Si\n0.531159 0.750000 0.180708 Si\n0.468841 0.250000 0.819292 Si\n0.031159 0.250000 0.319292 Si\n0.313996 0.441842 0.881821 O\n0.441883 0.250000 0.638096 O\n0.058117 0.250000 0.138096 O\n0.313996 0.058158 0.881821 O\n0.813996 0.941842 0.618180 O\n0.941882 0.750000 0.861904 O\n0.269206 0.750000 0.620405 O\n0.186004 0.441842 0.381821 O\n0.769206 0.250000 0.879596 O\n0.686003 0.558158 0.118179 O\n0.186004 0.058158 0.381821 O\n0.230794 0.750000 0.120404 O\n0.686003 0.941842 0.118179 O\n0.730794 0.250000 0.379596 O\n0.813996 0.558158 0.618180 O\n0.558117 0.750000 0.361904 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 3.21936811016686,
"density_atomic": 0.08673598656236682,
"volume": 322.81871815531633,
"volume_molar": 6.943070573907437,
"formula_full": "Ca4 Mg4 Si4 O16",
"formula_reduced": "CaMgSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-112771",
"created_at": "2022-09-04T14:38:42.365184Z",
"updated_at": "2022-09-04T14:38:42.365211Z",
"structure_string": "K4 Ni4 P4 O16\n1.0\n4.892065 -0.000000 0.000000\n0.000000 8.652328 0.000000\n-0.000000 -0.000000 9.188805\nK Ni P O\n4 4 4 16\ndirect\n0.528397 0.503899 0.185770 K\n0.028398 0.496101 0.814229 K\n0.028398 -0.003899 0.685770 K\n0.528397 0.003899 0.314229 K\n0.994529 0.654329 0.458590 Ni\n0.494529 0.345671 0.541410 Ni\n0.494529 0.845671 0.958589 Ni\n0.994529 0.154329 0.041410 Ni\n0.062455 0.292206 0.370797 P\n0.562455 0.707794 0.629203 P\n0.562455 0.207794 0.870796 P\n0.062455 0.792206 0.129203 P\n0.703418 0.318800 0.980774 O\n0.203419 0.681200 0.019226 O\n0.747538 0.790240 0.120516 O\n0.247539 0.209760 0.879484 O\n0.247539 0.709761 0.620516 O\n0.747538 0.290240 0.379484 O\n0.187946 0.953820 0.083654 O\n0.652313 0.240408 0.712885 O\n0.687945 0.546181 0.583654 O\n0.187946 0.453820 0.416346 O\n0.152313 0.259592 0.212885 O\n0.652313 0.740408 0.787114 O\n0.703418 0.818800 0.519225 O\n0.152313 0.759593 0.287115 O\n0.687945 0.046180 0.916346 O\n0.203419 0.181200 0.480774 O\n",
"nsites": 28,
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],
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"density": 3.2919154818523064,
"density_atomic": 0.07199027003426667,
"volume": 388.9414498191529,
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"formula_full": "K4 Ni4 P4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 33
},
{
"id": "jvasp-120746",
"created_at": "2022-09-04T14:38:49.192434Z",
"updated_at": "2022-09-04T14:38:49.192458Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n4.803175 -0.000000 0.000000\n0.000000 6.209487 0.000000\n-0.000000 -0.000000 9.384885\nLi Ni P O\n4 4 4 16\ndirect\n0.500001 0.500000 -0.000000 Li\n0.500001 0.000000 -0.000000 Li\n-0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.963892 0.250000 0.139784 Ni\n0.463892 0.750000 0.360216 Ni\n0.536109 0.250000 0.639783 Ni\n0.036109 0.750000 0.860216 Ni\n0.031904 0.250000 0.814946 P\n0.531904 0.750000 0.685053 P\n0.468097 0.250000 0.314947 P\n0.968097 0.750000 0.185053 P\n0.157761 0.049832 0.888953 O\n0.612350 0.750000 0.847193 O\n0.112350 0.250000 0.652806 O\n0.657762 0.950168 0.611046 O\n0.657762 0.549832 0.611046 O\n0.210568 0.750000 0.664905 O\n0.789433 0.250000 0.335094 O\n0.842240 0.549832 0.111046 O\n0.342239 0.450168 0.388954 O\n0.887651 0.750000 0.347193 O\n0.387651 0.250000 0.152807 O\n0.842240 0.950168 0.111046 O\n0.157761 0.450168 0.888953 O\n0.289432 0.750000 0.164905 O\n0.342239 0.049832 0.388954 O\n0.710569 0.250000 0.835094 O\n",
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],
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"volume": 279.9065668846337,
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"formula_full": "Li4 Ni4 P4 O16",
"formula_reduced": "LiNiPO4",
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},
{
"id": "jvasp-100366",
"created_at": "2022-09-04T14:36:33.615464Z",
"updated_at": "2022-09-04T14:36:33.615490Z",
"structure_string": "Na1 Y1 Zr1 S4\n1.0\n3.849916 0.000000 0.000000\n0.000000 6.275926 2.003164\n0.000000 0.038019 6.901029\nNa Y Zr S\n1 1 1 4\ndirect\n0.000000 0.500000 0.500000 Na\n0.500001 0.500000 -0.000000 Y\n0.000000 0.000000 0.000000 Zr\n0.500001 0.776216 0.224873 S\n0.000000 0.243469 0.223853 S\n0.500001 0.223785 0.775127 S\n0.000000 0.756532 0.776146 S\n",
"nsites": 7,
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],
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"volume": 166.4479961157123,
"volume_molar": 14.31961802612504,
"formula_full": "Na1 Y1 Zr1 S4",
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"spacegroup": 10
},
{
"id": "jvasp-42694",
"created_at": "2022-09-04T14:37:09.103385Z",
"updated_at": "2022-09-04T14:37:09.103405Z",
"structure_string": "Li4 Cr4 Si4 O16\n1.0\n4.708685 0.000000 0.000000\n0.000000 6.062744 0.000000\n0.000000 0.000000 10.043310\nLi Cr Si O\n4 4 4 16\ndirect\n0.022474 0.006534 0.216246 Li\n0.477527 0.006534 0.716246 Li\n0.522474 0.506534 0.283754 Li\n0.977527 0.506534 0.783754 Li\n-0.000000 0.256527 0.499999 Cr\n0.500000 0.256527 -0.000001 Cr\n0.500000 0.756527 0.000001 Cr\n0.000000 0.756527 0.500001 Cr\n0.921835 0.006528 0.907669 Si\n0.578166 0.006528 0.407669 Si\n0.421835 0.506528 0.592331 Si\n0.078166 0.506528 0.092331 Si\n0.778407 0.232443 0.848820 O\n0.770978 0.506527 0.582395 O\n0.729023 0.506527 0.082395 O\n0.721595 0.232443 0.348820 O\n0.721595 0.780609 0.348823 O\n0.750569 0.006529 0.558380 O\n0.249432 0.506529 0.441620 O\n0.221595 0.280610 0.151177 O\n0.278406 0.732442 0.651180 O\n0.270978 0.006527 0.917605 O\n0.229023 0.006527 0.417605 O\n0.221594 0.732442 0.151180 O\n0.778406 0.780609 0.848823 O\n0.250568 0.506529 0.941620 O\n0.278406 0.280610 0.651177 O\n0.749433 0.006529 0.058380 O\n",
"nsites": 28,
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"elements": [
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],
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"volume": 286.71191178189736,
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"formula_full": "Li4 Cr4 Si4 O16",
"formula_reduced": "LiCrSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-119264",
"created_at": "2022-09-04T14:38:28.818328Z",
"updated_at": "2022-09-04T14:38:28.818356Z",
"structure_string": "Sr2 Y2 Co2 O8\n1.0\n3.584498 0.004411 -1.059301\n-0.636030 7.139522 -2.122864\n-0.008174 -0.004901 6.566946\nSr Y Co O\n2 2 2 8\ndirect\n0.643359 0.321681 0.286725 Sr\n0.643379 0.821677 0.286717 Sr\n0.363333 0.681613 0.726505 Y\n0.363180 0.181607 0.726512 Y\n0.007168 0.003586 0.014326 Co\n0.007151 0.503583 0.014313 Co\n0.840723 0.420404 0.681483 O\n0.840758 0.920382 0.681487 O\n0.174129 0.587056 0.348230 O\n0.174103 0.087060 0.348245 O\n0.485677 0.492824 0.971358 O\n0.485690 0.992836 0.971378 O\n0.985753 0.742847 0.971375 O\n0.985609 0.242841 0.971356 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.920645098255594,
"density_atomic": 0.08334585705658516,
"volume": 167.9747559677156,
"volume_molar": 7.225483032601668,
"formula_full": "Sr2 Y2 Co2 O8",
"formula_reduced": "SrYCoO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 107
},
{
"id": "jvasp-42986",
"created_at": "2022-09-04T14:38:09.856210Z",
"updated_at": "2022-09-04T14:38:09.856237Z",
"structure_string": "Li2 Ti2 Fe2 O8\n1.0\n5.756968 -0.000000 0.000000\n2.878484 5.013594 -0.082646\n2.878484 1.593278 4.754410\nLi Ti Fe O\n2 2 2 8\ndirect\n0.125028 0.124972 0.124972 Li\n0.874971 0.875028 0.875027 Li\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.263491 0.258202 0.258201 O\n0.256587 0.273938 0.712886 O\n0.256587 0.712886 0.273938 O\n0.720106 0.258202 0.258201 O\n0.279893 0.741798 0.741798 O\n0.743413 0.726062 0.287113 O\n0.743412 0.287114 0.726062 O\n0.736509 0.741798 0.741798 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 4.203558052744318,
"density_atomic": 0.10146024580874122,
"volume": 137.9850786720038,
"volume_molar": 5.935468332446291,
"formula_full": "Li2 Ti2 Fe2 O8",
"formula_reduced": "LiTiFeO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.526291119047619,
"spacegroup": 74
}
]
}