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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4420",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4418",
"results": [
{
"id": "jvasp-113067",
"created_at": "2022-09-04T14:38:46.492394Z",
"updated_at": "2022-09-04T14:38:46.492422Z",
"structure_string": "Pr4 U2 Te10\n1.0\n9.889750 0.018745 0.128928\n7.901108 5.948109 0.128928\n-0.017073 -0.005726 8.953247\nPr U Te\n4 2 10\ndirect\n0.249575 0.252360 0.267761 Pr\n0.580707 0.595717 0.259545 Pr\n0.747641 0.750424 0.732240 Pr\n0.404284 0.419293 0.740455 Pr\n0.933521 0.901745 0.262581 U\n0.098255 0.066480 0.737420 U\n0.244630 0.247761 0.636491 Te\n0.913948 0.921960 0.628933 Te\n0.592557 0.573123 0.636101 Te\n0.752239 0.755370 0.363510 Te\n0.426877 0.407444 0.363900 Te\n0.078039 0.086053 0.371068 Te\n0.420030 0.944746 0.997511 Te\n0.055254 0.579971 0.002490 Te\n0.753090 0.246910 0.000000 Te\n0.249374 0.750626 0.000000 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Pr",
"U",
"Te"
],
"chemical_system": "Pr-Te-U",
"density": 7.3192610318470095,
"density_atomic": 0.03045495746492376,
"volume": 525.3660268095224,
"volume_molar": 19.773926024805487,
"formula_full": "Pr4 U2 Te10",
"formula_reduced": "Pr2UTe5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.8781955666666668,
"spacegroup": 5
},
{
"id": "jvasp-44828",
"created_at": "2022-09-04T14:38:07.222416Z",
"updated_at": "2022-09-04T14:38:07.222432Z",
"structure_string": "Li5 Cr1 O5\n1.0\n4.025333 -0.001021 0.001201\n-2.011448 4.652582 -0.013015\n-0.002133 -1.785092 5.313046\nLi Cr O\n5 1 5\ndirect\n0.315514 0.629174 0.125164 Li\n0.299682 0.594682 0.646831 Li\n0.716173 0.427695 0.324718 Li\n0.697543 0.393209 0.846391 Li\n0.988178 0.011191 0.485773 Li\n0.073617 0.011189 0.985780 Cr\n0.854450 0.728393 0.153093 O\n0.489601 0.011188 0.985790 O\n0.843159 0.703867 0.675646 O\n0.150489 0.318519 0.295910 O\n0.137246 0.293982 0.818460 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 2.7846939503320423,
"density_atomic": 0.11065993459455645,
"volume": 99.40363728121261,
"volume_molar": 5.442024506940418,
"formula_full": "Li5 Cr1 O5",
"formula_reduced": "Li5CrO5",
"formula_anonymous": "AB5C5",
"energy_above_hull": 2.0421859,
"spacegroup": 5
},
{
"id": "jvasp-30317",
"created_at": "2022-09-04T14:38:07.249302Z",
"updated_at": "2022-09-04T14:38:07.249328Z",
"structure_string": "Ni1 P2 S6\n1.0\n5.762529 0.000000 -0.106888\n-2.881265 4.993443 0.053443\n-1.742284 0.000000 6.370691\nNi P S\n1 2 6\ndirect\n0.333263 0.666529 -0.000000 Ni\n0.055854 0.000300 0.171055 P\n0.944446 0.000300 0.828945 P\n0.103667 0.667783 0.241665 S\n0.253801 0.973769 0.757398 S\n0.564116 0.667783 0.758334 S\n0.409923 0.358082 0.245849 S\n0.948159 0.358082 0.754150 S\n0.719969 0.973769 0.242601 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ni",
"P",
"S"
],
"chemical_system": "Ni-P-S",
"density": 2.850002739477125,
"density_atomic": 0.04934594226384884,
"volume": 182.38581709267427,
"volume_molar": 12.203922923996648,
"formula_full": "Ni1 P2 S6",
"formula_reduced": "Ni(PS3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.3933637111111112,
"spacegroup": 5
},
{
"id": "jvasp-44917",
"created_at": "2022-09-04T14:38:07.928839Z",
"updated_at": "2022-09-04T14:38:07.928856Z",
"structure_string": "Li4 Ti2 Ni4 O10\n1.0\n4.360422 -2.548406 0.008766\n1.488072 -0.848502 4.790685\n-1.503145 -7.575719 0.032272\nLi Ti Ni O\n4 2 4 10\ndirect\n0.199513 0.999984 0.600975 Li\n0.301003 0.500004 0.397997 Li\n0.800652 0.000003 0.398688 Li\n0.495684 0.500008 0.008620 Li\n0.394885 -0.000001 0.210238 Ti\n0.696222 0.499990 0.607577 Ti\n0.604960 0.000005 0.790071 Ni\n0.897710 0.500002 0.204578 Ni\n0.102565 0.500002 0.794858 Ni\n0.000356 1.000000 0.999286 Ni\n0.936514 0.735854 0.601365 O\n0.053711 0.249287 0.398943 O\n0.361258 0.743681 0.789940 O\n0.462119 0.264150 0.601364 O\n0.161900 0.766381 0.197529 O\n0.249283 0.243363 0.005788 O\n0.848809 0.256310 0.789937 O\n0.640566 0.233630 0.197528 O\n0.547344 0.750720 0.398941 O\n0.744925 0.756639 0.005788 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Ni",
"O"
],
"chemical_system": "Li-Ni-O-Ti",
"density": 4.876016753852587,
"density_atomic": 0.11331664401405822,
"volume": 176.49657889196553,
"volume_molar": 5.314436208729306,
"formula_full": "Li4 Ti2 Ni4 O10",
"formula_reduced": "Li2TiNi2O5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 2.121972063333333,
"spacegroup": 5
},
{
"id": "jvasp-46801",
"created_at": "2022-09-04T14:38:07.589493Z",
"updated_at": "2022-09-04T14:38:07.589519Z",
"structure_string": "Li1 Mn5 Cu2 O12\n1.0\n5.004693 -0.022078 -0.041574\n2.110849 4.537814 0.041574\n-0.507912 0.800328 9.001447\nLi Mn Cu O\n1 5 2 12\ndirect\n0.920365 0.920364 0.750000 Li\n0.085399 0.085399 0.250000 Mn\n0.423444 0.423444 0.250000 Mn\n0.575756 0.575755 0.750000 Mn\n0.512219 -0.003153 0.510644 Mn\n-0.003153 0.512219 0.989357 Mn\n0.244254 0.244254 0.750000 Cu\n0.753467 0.753466 0.250000 Cu\n0.666031 0.799681 0.885212 O\n0.761672 0.420279 0.144752 O\n0.746932 0.083157 0.355947 O\n0.420280 0.761672 0.355248 O\n0.553034 0.261825 0.636304 O\n0.083158 0.746931 0.144053 O\n0.261825 0.553034 0.863696 O\n0.316931 0.189222 0.122215 O\n0.916900 0.269278 0.861219 O\n0.189222 0.316931 0.377785 O\n0.269278 0.916899 0.638782 O\n0.799682 0.666030 0.614788 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-O",
"density": 4.877488330250846,
"density_atomic": 0.09779303387213156,
"volume": 204.51354465749398,
"volume_molar": 6.158046766269873,
"formula_full": "Li1 Mn5 Cu2 O12",
"formula_reduced": "LiMn5(CuO6)2",
"formula_anonymous": "AB2C5D12",
"energy_above_hull": 3.082655455344827,
"spacegroup": 5
},
{
"id": "jvasp-46766",
"created_at": "2022-09-04T14:38:07.706079Z",
"updated_at": "2022-09-04T14:38:07.706108Z",
"structure_string": "Li4 Mn2 Si4 O12\n1.0\n-1.773814 1.582198 4.543495\n-7.532286 -0.360497 0.185043\n0.499184 -7.524367 -0.185044\nLi Mn Si O\n4 2 4 12\ndirect\n0.496756 0.795957 0.584946 Li\n0.250000 0.794785 0.794784 Li\n0.003246 0.584947 0.795958 Li\n0.750001 0.221340 0.221341 Li\n0.750001 0.960680 0.960680 Mn\n0.250000 0.184274 0.184274 Mn\n0.858210 0.777501 0.368567 Si\n0.353054 0.616120 0.198899 Si\n0.641791 0.368566 0.777501 Si\n0.146947 0.198899 0.616120 Si\n0.832807 0.217570 0.978015 O\n0.295112 0.363124 0.702477 O\n0.374194 0.400929 0.166419 O\n0.808319 0.276807 0.625440 O\n0.204889 0.702477 0.363124 O\n0.667194 0.978015 0.217570 O\n0.691682 0.625440 0.276807 O\n0.138648 0.752208 -0.003753 O\n0.878207 0.792528 0.585826 O\n0.125806 0.166419 0.400929 O\n0.621795 0.585825 0.792528 O\n0.361352 -0.003753 0.752207 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.8931244043107367,
"density_atomic": 0.08672475780453723,
"volume": 253.67611921827717,
"volume_molar": 6.943969533559119,
"formula_full": "Li4 Mn2 Si4 O12",
"formula_reduced": "Li2Mn(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.6724923128526643,
"spacegroup": 5
},
{
"id": "jvasp-42990",
"created_at": "2022-09-04T14:38:07.965962Z",
"updated_at": "2022-09-04T14:38:07.965988Z",
"structure_string": "Li5 V5 Co2 O12\n1.0\n5.009767 0.156729 -0.107095\n2.327843 4.438859 0.107095\n-0.632691 1.010196 9.585209\nLi V Co O\n5 5 2 12\ndirect\n0.158860 0.662921 0.507584 Li\n0.325747 0.844002 0.991846 Li\n0.662920 0.158861 0.992417 Li\n0.844001 0.325748 0.508154 Li\n0.923617 0.923619 0.750000 Li\n0.428475 0.428475 0.250000 V\n0.581157 0.581158 0.750000 V\n0.075933 0.075933 0.250000 V\n0.000183 0.505426 0.983576 V\n0.505425 0.000184 0.516424 V\n0.749846 0.749846 0.250000 Co\n0.246340 0.246340 0.750000 Co\n0.777246 0.059287 0.377606 O\n0.940156 0.221381 0.875256 O\n0.221379 0.940157 0.624744 O\n0.151582 0.352121 0.374192 O\n0.352121 0.151582 0.125808 O\n0.289539 0.547632 0.874472 O\n0.547631 0.289540 0.625529 O\n0.442401 0.727113 0.377952 O\n0.727113 0.442401 0.122048 O\n0.632384 0.856655 0.875033 O\n0.856654 0.632385 0.624967 O\n0.059286 0.777246 0.122394 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 4.771579915644109,
"density_atomic": 0.11508019373127272,
"volume": 208.550222430483,
"volume_molar": 5.232994979190325,
"formula_full": "Li5 V5 Co2 O12",
"formula_reduced": "Li5V5(CoO6)2",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 3.139881866666667,
"spacegroup": 5
},
{
"id": "jvasp-46182",
"created_at": "2022-09-04T14:38:09.032701Z",
"updated_at": "2022-09-04T14:38:09.032725Z",
"structure_string": "Li4 Ti1 Cr1 O6\n1.0\n5.010408 0.020341 -0.014461\n2.493313 4.352642 0.010844\n0.854776 1.447916 4.766019\nLi Ti Cr O\n4 1 1 6\ndirect\n0.486737 0.006604 0.999548 Li\n0.502622 0.498711 0.499516 Li\n0.185962 0.656979 0.999496 Li\n0.825207 0.337389 0.999517 Li\n0.835936 0.832050 0.499521 Ti\n0.166987 0.166517 0.499544 Cr\n0.497251 0.778204 0.731638 O\n0.497261 0.224572 0.267422 O\n0.151558 0.416289 0.726928 O\n0.151566 0.932172 0.272142 O\n0.859834 0.569462 0.271229 O\n0.859838 0.070714 0.727842 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.583587281000543,
"density_atomic": 0.11580643558153146,
"volume": 103.6211842609698,
"volume_molar": 5.200177977812139,
"formula_full": "Li4 Ti1 Cr1 O6",
"formula_reduced": "Li4TiCrO6",
"formula_anonymous": "ABC4D6",
"energy_above_hull": 2.4176238944444446,
"spacegroup": 5
},
{
"id": "jvasp-43047",
"created_at": "2022-09-04T14:38:09.922341Z",
"updated_at": "2022-09-04T14:38:09.922361Z",
"structure_string": "Li5 Mn5 Ni2 O12\n1.0\n5.071262 0.125712 -0.080530\n2.326780 4.507725 0.080530\n-0.595247 0.950408 9.590300\nLi Mn Ni O\n5 5 2 12\ndirect\n0.175724 0.651652 0.508642 Li\n0.305976 0.866017 0.986085 Li\n0.651650 0.175725 0.991358 Li\n0.866015 0.305978 0.513915 Li\n0.921615 0.921617 0.750000 Li\n0.072914 0.072915 0.250000 Mn\n0.986832 0.526453 0.990983 Mn\n0.526452 0.986834 0.509017 Mn\n0.412723 0.412723 0.250000 Mn\n0.579842 0.579843 0.750000 Mn\n0.748614 0.748615 0.250000 Ni\n0.254239 0.254241 0.750000 Ni\n0.804198 0.022465 0.382853 O\n0.933387 0.255440 0.867374 O\n0.255439 0.933389 0.632626 O\n0.178525 0.323831 0.381801 O\n0.323830 0.178526 0.118199 O\n0.297207 0.552340 0.867827 O\n0.552339 0.297208 0.632173 O\n0.429002 0.718279 0.357475 O\n0.718278 0.429003 0.142525 O\n0.632911 0.849807 0.876237 O\n0.849805 0.632912 0.623763 O\n0.022465 0.804199 0.117147 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Ni",
"O"
],
"chemical_system": "Li-Mn-Ni-O",
"density": 4.764899532755865,
"density_atomic": 0.11129694826907825,
"volume": 215.63933578822076,
"volume_molar": 5.410876806289879,
"formula_full": "Li5 Mn5 Ni2 O12",
"formula_reduced": "Li5Mn5(NiO6)2",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.883609708620689,
"spacegroup": 5
},
{
"id": "jvasp-10080",
"created_at": "2022-09-04T14:38:09.694829Z",
"updated_at": "2022-09-04T14:38:09.694845Z",
"structure_string": "Ca1 Zr1 Si2 O7\n1.0\n4.692422 0.006965 -0.589257\n-0.861946 5.340992 -1.279337\n0.004756 -0.000672 5.559301\nCa Zr Si O\n1 1 2 7\ndirect\n0.500000 0.292905 0.707095 Ca\n0.499999 0.684897 0.315103 Zr\n0.919068 0.221180 0.206381 Si\n0.080932 0.793619 0.778820 Si\n0.712747 0.412894 0.117753 O\n0.287252 0.882247 0.587106 O\n0.736231 0.036694 0.345316 O\n0.263769 0.654684 0.963306 O\n0.000001 0.060398 0.939602 O\n0.779194 0.623597 0.623710 O\n0.220805 0.376289 0.376404 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Ca",
"Zr",
"Si",
"O"
],
"chemical_system": "Ca-O-Si-Zr",
"density": 3.567998021262615,
"density_atomic": 0.07892536703375251,
"volume": 139.37217416164614,
"volume_molar": 7.63017137116971,
"formula_full": "Ca1 Zr1 Si2 O7",
"formula_reduced": "CaZrSi2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.673216056363636,
"spacegroup": 5
},
{
"id": "jvasp-109748",
"created_at": "2022-09-04T14:38:09.701092Z",
"updated_at": "2022-09-04T14:38:09.701120Z",
"structure_string": "Ga2 Ag2 Se3 S1\n1.0\n6.250855 -0.050212 2.939868\n3.357866 5.272613 2.939868\n0.029251 0.015898 5.896301\nGa Ag Se S\n2 2 3 1\ndirect\n0.753200 0.498214 0.625938 Ga\n0.501786 0.246801 0.374062 Ga\n0.233085 0.989248 0.194370 Ag\n0.010752 0.766915 0.805630 Ag\n0.860366 0.139635 -0.000000 Se\n0.596326 0.879677 0.741135 Se\n0.120324 0.403675 0.258865 Se\n0.434167 0.565834 0.500000 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Ag",
"Se",
"S"
],
"chemical_system": "Ag-Ga-S-Se",
"density": 5.3220836318955485,
"density_atomic": 0.041081787825809825,
"volume": 194.73349197753177,
"volume_molar": 14.658906242187838,
"formula_full": "Ga2 Ag2 Se3 S1",
"formula_reduced": "Ga2Ag2Se3S",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 0.61810740875,
"spacegroup": 5
},
{
"id": "jvasp-43056",
"created_at": "2022-09-04T14:38:09.926177Z",
"updated_at": "2022-09-04T14:38:09.926200Z",
"structure_string": "V5 O12\n1.0\n4.910446 -0.105126 0.035629\n2.048897 4.463804 -0.035629\n-0.454494 0.725675 9.001479\nV O\n5 12\ndirect\n0.050614 0.050614 0.250000 V\n0.049757 0.476923 0.966840 V\n0.476923 0.049756 0.533160 V\n0.429139 0.429138 0.250000 V\n0.610457 0.610455 0.750000 V\n0.798329 0.698396 0.604828 O\n0.698399 0.798327 0.895172 O\n0.737934 0.388926 0.143941 O\n0.388928 0.737932 0.356059 O\n0.534197 0.308542 0.625570 O\n0.282715 0.191769 0.117402 O\n0.737962 0.084383 0.359505 O\n0.191770 0.282714 0.382598 O\n0.275207 0.923340 0.653034 O\n0.923342 0.275205 0.846966 O\n0.308543 0.534196 0.874430 O\n0.084384 0.737961 0.140495 O\n",
"nsites": 17,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.718201238240905,
"density_atomic": 0.0852150829209938,
"volume": 199.49519987865713,
"volume_molar": 7.0669892624329895,
"formula_full": "V5 O12",
"formula_reduced": "V5O12",
"formula_anonymous": "A5B12",
"energy_above_hull": 3.599283705882353,
"spacegroup": 5
}
]
}