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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4606",
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"results": [
{
"id": "jvasp-52783",
"created_at": "2022-09-04T14:35:44.945631Z",
"updated_at": "2022-09-04T14:35:44.945653Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n0.000000 7.841846 0.118089\n4.942641 0.000000 0.000000\n0.000000 -1.480853 -8.247660\nLi Mn P O\n4 4 4 16\ndirect\n0.135280 -0.035796 0.541284 Li\n0.648005 0.037027 0.954710 Li\n0.351996 0.537027 0.045290 Li\n0.864721 0.464204 0.458716 Li\n0.486410 0.593731 0.727019 Mn\n0.025392 0.014954 0.178244 Mn\n0.974609 0.514954 0.821756 Mn\n0.513591 0.093731 0.272981 Mn\n0.742249 0.509033 0.099233 P\n0.257752 0.009033 0.900766 P\n0.768752 0.958416 0.620719 P\n0.231249 0.458416 0.379281 P\n0.422946 0.954810 0.034433 O\n0.068365 0.286378 0.395379 O\n0.894386 0.360238 0.038938 O\n0.293355 0.879881 0.742639 O\n0.706645 0.379881 0.257361 O\n0.783813 0.812795 0.126377 O\n0.374905 0.406950 0.528422 O\n0.625096 0.906950 0.471578 O\n0.817487 0.260642 0.645683 O\n0.577055 0.454810 0.965567 O\n0.216188 0.312795 0.873623 O\n0.931635 0.786378 0.604621 O\n0.297251 0.348555 0.226781 O\n0.105615 0.860238 0.961061 O\n0.702750 0.848555 0.773218 O\n0.182514 0.760642 0.354316 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.2678524753901046,
"density_atomic": 0.08782653217826916,
"volume": 318.81026502521996,
"volume_molar": 6.85685818469564,
"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.547535248768473,
"spacegroup": 4
},
{
"id": "jvasp-96798",
"created_at": "2022-09-04T14:35:44.208405Z",
"updated_at": "2022-09-04T14:35:44.208429Z",
"structure_string": "C4 I4 Cl4 F16\n1.0\n4.957540 -0.097571 0.000000\n-0.384681 4.943556 0.000000\n-0.000000 0.000000 19.804950\nC I Cl F\n4 4 4 16\ndirect\n0.288198 0.711803 0.423685 C\n0.788198 0.211803 0.076315 C\n0.711802 0.288198 0.576315 C\n0.211802 0.788199 0.923685 C\n0.646392 0.353609 0.687097 I\n0.853609 0.146392 0.187097 I\n0.353609 0.646392 0.312903 I\n0.146392 0.853609 0.812903 I\n0.829971 0.170029 0.853972 Cl\n0.329971 0.670030 0.646028 Cl\n0.670029 0.329971 0.353972 Cl\n0.170029 0.829972 0.146028 Cl\n0.802031 0.525991 0.548360 F\n0.071652 0.928349 0.301776 F\n0.571652 0.428349 0.198224 F\n0.525990 0.802031 0.451640 F\n0.928348 0.071652 0.698224 F\n0.974010 0.697970 0.951640 F\n0.474010 0.197970 0.548360 F\n0.891402 0.108599 0.566959 F\n0.302030 0.025990 0.951640 F\n0.197970 0.474010 0.451640 F\n0.108598 0.891403 0.433041 F\n0.608598 0.391402 0.066959 F\n0.428348 0.571652 0.801776 F\n0.391402 0.608599 0.933041 F\n0.025990 0.302031 0.048360 F\n0.697970 0.974011 0.048360 F\n",
"nsites": 28,
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"elements": [
"C",
"I",
"Cl",
"F"
],
"chemical_system": "C-Cl-F-I",
"density": 3.431336569477848,
"density_atomic": 0.057775568278268824,
"volume": 484.63391766466907,
"volume_molar": 10.423334533024597,
"formula_full": "C4 I4 Cl4 F16",
"formula_reduced": "CIClF4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.6865230675,
"spacegroup": 64
},
{
"id": "jvasp-42735",
"created_at": "2022-09-04T14:35:45.672532Z",
"updated_at": "2022-09-04T14:35:45.672549Z",
"structure_string": "Li4 Mn4 Si4 O16\n1.0\n0.000000 4.782624 -0.003677\n9.935683 0.000000 0.000000\n0.000000 -0.004677 -5.954962\nLi Mn Si O\n4 4 4 16\ndirect\n0.750038 0.294676 0.727431 Li\n0.250019 0.799467 0.772580 Li\n0.749979 0.299467 0.227421 Li\n0.249961 0.794676 0.272569 Li\n0.731731 0.023251 0.004698 Mn\n0.231739 0.070879 0.495304 Mn\n0.768260 0.570879 0.504696 Mn\n0.268268 0.523250 0.995302 Mn\n0.813033 0.703818 0.021572 Si\n0.313036 0.390310 0.478426 Si\n0.686963 0.890310 0.521574 Si\n0.186966 0.203818 0.978428 Si\n0.020689 0.124479 0.186063 O\n0.966430 0.635642 0.245485 O\n0.466437 0.458486 0.254525 O\n0.563770 0.735124 0.515598 O\n0.972852 0.399953 0.487021 O\n0.520688 0.969650 0.313934 O\n0.479310 0.469651 0.686066 O\n0.527151 0.194177 0.987014 O\n0.436229 0.235124 0.484402 O\n0.533561 0.958486 0.745476 O\n0.033568 0.135642 0.754515 O\n0.979309 0.624479 0.813937 O\n0.472847 0.694177 0.012986 O\n0.063786 0.359005 0.984406 O\n0.027146 0.899953 0.512979 O\n0.936213 0.859005 0.015594 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.6139306922648795,
"density_atomic": 0.09894977452579054,
"volume": 282.9718423734458,
"volume_molar": 6.086058092462225,
"formula_full": "Li4 Mn4 Si4 O16",
"formula_reduced": "LiMnSiO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 19
},
{
"id": "jvasp-86570",
"created_at": "2022-09-04T14:35:45.891264Z",
"updated_at": "2022-09-04T14:35:45.891291Z",
"structure_string": "Re2 Pb2 Cl2 O8\n1.0\n4.445117 0.000000 0.000000\n0.000000 5.753711 0.000000\n0.000000 0.000000 9.457348\nRe Pb Cl O\n2 2 2 8\ndirect\n0.245854 0.000000 0.129959 Re\n0.745854 0.500000 0.870041 Re\n0.710754 0.500000 0.324199 Pb\n0.210753 0.000000 0.675802 Pb\n0.666772 0.000000 0.460672 Cl\n0.166772 0.500000 0.539328 Cl\n0.639969 0.245323 0.778082 O\n0.139969 0.745323 0.221918 O\n0.628864 0.500000 0.047444 O\n0.637131 0.000000 0.127576 O\n0.639969 0.754676 0.778082 O\n0.139969 0.254676 0.221918 O\n0.128864 0.000000 0.952556 O\n0.137131 0.500000 0.872424 O\n",
"nsites": 14,
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"elements": [
"Re",
"Pb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Pb-Re",
"density": 6.767058647277516,
"density_atomic": 0.05787985374155625,
"volume": 241.880362423037,
"volume_molar": 10.404554211366738,
"formula_full": "Re2 Pb2 Cl2 O8",
"formula_reduced": "RePbClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.530746698214286,
"spacegroup": 31
},
{
"id": "jvasp-32197",
"created_at": "2022-09-04T14:35:42.966709Z",
"updated_at": "2022-09-04T14:35:42.966739Z",
"structure_string": "Hg4 H4 Cl4 O16\n1.0\n4.726908 -0.000000 0.000000\n-0.000000 7.232356 0.000000\n0.000000 0.000000 11.391839\nHg H Cl O\n4 4 4 16\ndirect\n0.435811 0.000000 0.750000 Hg\n0.564189 0.000000 0.250000 Hg\n0.435811 0.500000 0.750000 Hg\n0.564189 0.500000 0.250000 Hg\n0.455497 0.750000 0.412721 H\n0.455497 0.250000 0.087279 H\n0.544504 0.250000 0.587279 H\n0.544504 0.750000 0.912721 H\n0.002370 0.750000 0.557079 Cl\n0.002370 0.250000 0.942921 Cl\n0.997631 0.250000 0.442921 Cl\n0.997631 0.750000 0.057079 Cl\n0.419978 0.250000 0.658989 O\n0.068930 0.582300 0.128598 O\n0.068930 0.417700 0.371402 O\n0.931070 0.082300 0.871402 O\n0.931070 0.917700 0.628598 O\n0.674055 0.750000 0.049029 O\n0.674055 0.250000 0.450971 O\n0.325945 0.750000 0.549029 O\n0.068930 0.082300 0.371402 O\n0.068930 0.917700 0.128598 O\n0.931070 0.582300 0.628598 O\n0.931070 0.417700 0.871402 O\n0.580022 0.750000 0.341011 O\n0.580022 0.250000 0.158989 O\n0.419978 0.750000 0.841012 O\n0.325945 0.250000 0.950971 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Hg",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Hg-O",
"density": 5.134460659046946,
"density_atomic": 0.07189641703063553,
"volume": 389.4491708546341,
"volume_molar": 8.3761347348282,
"formula_full": "Hg4 H4 Cl4 O16",
"formula_reduced": "HgHClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6974446667857137,
"spacegroup": 57
},
{
"id": "jvasp-48383",
"created_at": "2022-09-04T14:35:43.457421Z",
"updated_at": "2022-09-04T14:35:43.457441Z",
"structure_string": "Na2 Fe2 P2 O8\n1.0\n2.719422 4.217623 -0.000000\n-2.719422 4.217623 -0.000000\n0.000000 0.000000 6.809379\nNa Fe P O\n2 2 2 8\ndirect\n0.314314 0.314314 0.750000 Na\n0.685685 0.685685 0.250000 Na\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.336729 0.336729 0.250000 P\n0.663270 0.663270 0.750000 P\n0.210241 0.678867 0.250000 O\n0.321132 0.789758 0.750000 O\n0.230125 0.230125 0.066307 O\n0.230125 0.230125 0.433693 O\n0.769874 0.769874 0.566307 O\n0.769874 0.769874 0.933693 O\n0.678867 0.210241 0.250000 O\n0.789758 0.321132 0.750000 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Na",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Na-O-P",
"density": 3.695407361674051,
"density_atomic": 0.08962850849356051,
"volume": 156.2003009456065,
"volume_molar": 6.719001421777168,
"formula_full": "Na2 Fe2 P2 O8",
"formula_reduced": "NaFePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.215986285714286,
"spacegroup": 63
},
{
"id": "jvasp-88825",
"created_at": "2022-09-04T14:35:44.735847Z",
"updated_at": "2022-09-04T14:35:44.735879Z",
"structure_string": "Rb4 H4 Se4 O16\n1.0\n12.917694 0.000000 0.000000\n0.000000 4.605837 0.000000\n0.000000 0.000000 7.478999\nRb H Se O\n4 4 4 16\ndirect\n0.877846 0.817838 0.452278 Rb\n0.622154 0.182162 0.952278 Rb\n0.377846 0.682163 0.547722 Rb\n0.122154 0.317838 0.047722 Rb\n0.886211 0.272730 0.825492 H\n0.613788 0.727270 0.325492 H\n0.386211 0.227270 0.174508 H\n0.113788 0.772730 0.674508 H\n0.124891 0.226068 0.535870 Se\n0.375109 0.773933 0.035870 Se\n0.624891 0.273932 0.464130 Se\n0.875109 0.726068 0.964130 Se\n0.571354 0.536364 0.318170 O\n0.928645 0.463637 0.818170 O\n0.172508 0.481005 0.672157 O\n0.327492 0.518995 0.172157 O\n0.672508 0.018995 0.327843 O\n0.827492 0.981006 0.827843 O\n0.025945 0.341999 0.416305 O\n0.716389 0.429301 0.583780 O\n0.525944 0.158001 0.583696 O\n0.974055 0.841999 0.083696 O\n0.216389 0.070699 0.416220 O\n0.283611 0.929301 0.916220 O\n0.428646 0.036364 0.181830 O\n0.783611 0.570700 0.083780 O\n0.474055 0.658002 0.916305 O\n0.071354 0.963637 0.681830 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "H-O-Rb-Se",
"density": 3.4247477123662864,
"density_atomic": 0.06292467763813037,
"volume": 444.97645519971456,
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"formula_full": "Rb4 H4 Se4 O16",
"formula_reduced": "RbHSeO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 19
},
{
"id": "jvasp-48244",
"created_at": "2022-09-04T14:35:43.757659Z",
"updated_at": "2022-09-04T14:35:43.757685Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n5.040844 0.000000 0.000000\n0.000000 6.631014 0.000000\n0.000000 0.000000 10.326990\nLi Fe Si O\n4 4 4 16\ndirect\n0.754779 0.496613 0.154305 Li\n0.254780 0.996613 0.345695 Li\n0.754779 0.003386 0.654305 Li\n0.254780 0.503386 0.845695 Li\n0.752602 0.995839 0.169371 Fe\n0.252602 0.495839 0.330629 Fe\n0.752602 0.504160 0.669371 Fe\n0.252602 0.004160 0.830629 Fe\n0.750715 0.760180 0.910320 Si\n0.250715 0.260180 0.589680 Si\n0.750715 0.739819 0.410320 Si\n0.250715 0.239819 0.089680 Si\n0.868714 0.554451 0.841336 O\n0.884558 0.954880 0.834686 O\n0.384558 0.454881 0.665314 O\n0.368714 0.054452 0.658664 O\n0.927417 0.267391 0.616293 O\n0.815360 0.737889 0.566070 O\n0.315360 0.262111 0.433930 O\n0.927417 0.232608 0.116293 O\n0.868714 0.945548 0.341336 O\n0.884558 0.545119 0.334686 O\n0.384558 0.045119 0.165314 O\n0.368714 0.445548 0.158664 O\n0.427417 0.767391 0.883707 O\n0.815360 0.762110 0.066070 O\n0.427417 0.732608 0.383707 O\n0.315360 0.237889 0.933930 O\n",
"nsites": 28,
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"elements": [
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"O"
],
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"density": 2.98000439473401,
"density_atomic": 0.08111498133388775,
"volume": 345.18900873250055,
"volume_molar": 7.424202854971384,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.438026871428572,
"spacegroup": 33
},
{
"id": "jvasp-63423",
"created_at": "2022-09-04T14:35:44.314190Z",
"updated_at": "2022-09-04T14:35:44.314219Z",
"structure_string": "Li4 Mg4 As4 O16\n1.0\n4.915941 0.000000 0.000000\n0.000000 5.986967 0.000000\n0.000000 0.000000 10.480361\nLi Mg As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.992674 0.750000 0.726331 Mg\n0.492674 0.250000 0.773669 Mg\n0.007326 0.250000 0.273669 Mg\n0.507326 0.750000 0.226331 Mg\n0.065553 0.750000 0.406794 As\n0.565553 0.250000 0.093206 As\n0.934447 0.250000 0.593206 As\n0.434447 0.750000 0.906794 As\n0.224218 0.970949 0.329571 O\n0.724218 0.029052 0.170429 O\n0.224218 0.529052 0.329571 O\n0.724218 0.470949 0.170429 O\n0.775781 0.029052 0.670429 O\n0.275781 0.970949 0.829571 O\n0.293211 0.750000 0.057012 O\n0.281429 0.250000 0.596295 O\n0.706789 0.250000 0.942987 O\n0.206789 0.750000 0.557012 O\n0.718571 0.750000 0.403705 O\n0.218571 0.250000 0.096295 O\n0.275781 0.529052 0.829571 O\n0.781429 0.750000 0.903705 O\n0.793211 0.250000 0.442987 O\n0.775781 0.470949 0.670429 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
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"As",
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],
"chemical_system": "As-Li-Mg-O",
"density": 3.6642919515294627,
"density_atomic": 0.0907754191093711,
"volume": 308.45354694825585,
"volume_molar": 6.63410956301309,
"formula_full": "Li4 Mg4 As4 O16",
"formula_reduced": "LiMgAsO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-47623",
"created_at": "2022-09-04T14:35:45.279117Z",
"updated_at": "2022-09-04T14:35:45.279146Z",
"structure_string": "Li4 Fe4 Co4 O16\n1.0\n5.688591 -0.000000 -0.000000\n0.000000 5.688591 0.000000\n0.000000 0.000000 8.095630\nLi Fe Co O\n4 4 4 16\ndirect\n0.000000 0.241660 0.000000 Li\n0.000000 0.758340 0.500000 Li\n0.241660 0.000000 0.250000 Li\n0.758340 0.000000 0.750000 Li\n0.252259 0.252259 0.625000 Fe\n0.252259 0.747740 0.875000 Fe\n0.747740 0.252259 0.375000 Fe\n0.747740 0.747740 0.125000 Fe\n0.756826 0.500000 0.750000 Co\n0.500000 0.756826 0.500000 Co\n0.500000 0.243173 0.000000 Co\n0.243173 0.500000 0.250000 Co\n0.731819 0.984776 0.494781 O\n0.731819 0.015223 0.005219 O\n0.735621 0.487158 0.983689 O\n0.735621 0.512841 0.516311 O\n0.512841 0.735621 0.733689 O\n0.512841 0.264379 0.766311 O\n0.487158 0.735621 0.266311 O\n0.015223 0.731819 0.244781 O\n0.264379 0.512841 0.483689 O\n0.264379 0.487158 0.016311 O\n0.268181 0.984776 0.505219 O\n0.268181 0.015223 0.994781 O\n0.984776 0.268181 0.744781 O\n0.015223 0.268181 0.255219 O\n0.487158 0.264379 0.233689 O\n0.984776 0.731819 0.755219 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.708691072582221,
"density_atomic": 0.10688037294080707,
"volume": 261.97513378351584,
"volume_molar": 5.634468325943443,
"formula_full": "Li4 Fe4 Co4 O16",
"formula_reduced": "LiFeCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.566015771428571,
"spacegroup": 95
},
{
"id": "jvasp-94913",
"created_at": "2022-09-04T14:35:46.029307Z",
"updated_at": "2022-09-04T14:35:46.029332Z",
"structure_string": "Cu1 Mo1 S4 N1\n1.0\n0.000000 -0.000000 5.457646\n-3.839233 3.839233 2.728823\n-3.839233 -3.839233 2.728823\nCu Mo S N\n1 1 4 1\ndirect\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Mo\n0.642874 0.319734 0.917941 S\n0.880551 0.680265 0.082058 S\n0.037392 0.082058 0.319734 S\n0.439183 0.917941 0.680265 S\n0.250000 0.500000 0.500000 N\n",
"nsites": 7,
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"elements": [
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"Mo",
"S",
"N"
],
"chemical_system": "Cu-Mo-N-S",
"density": 3.114411283630078,
"density_atomic": 0.043508463051776705,
"volume": 160.88823895410272,
"volume_molar": 13.841308880144597,
"formula_full": "Cu1 Mo1 S4 N1",
"formula_reduced": "CuMoS4N",
"formula_anonymous": "ABCD4",
"energy_above_hull": 3.0467313714285718,
"spacegroup": 82
},
{
"id": "jvasp-85411",
"created_at": "2022-09-04T14:35:41.776800Z",
"updated_at": "2022-09-04T14:35:41.776827Z",
"structure_string": "Eu2 Mo2 Cl2 O8\n1.0\n6.167805 0.000993 1.504621\n1.789394 5.902533 1.504621\n0.012356 0.009168 6.910233\nEu Mo Cl O\n2 2 2 8\ndirect\n0.221858 0.221858 0.890096 Eu\n0.778141 0.778141 0.109904 Eu\n0.362558 0.362558 0.269423 Mo\n0.637442 0.637442 0.730577 Mo\n0.990288 0.990288 0.760815 Cl\n0.009712 0.009712 0.239184 Cl\n0.114627 0.489605 0.152509 O\n0.460027 0.460027 0.795149 O\n0.489605 0.114627 0.152510 O\n0.294135 0.294135 0.532883 O\n0.885372 0.510394 0.847490 O\n0.510394 0.885372 0.847490 O\n0.705864 0.705864 0.467117 O\n0.539972 0.539972 0.204851 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Eu",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Eu-Mo-O",
"density": 4.588866044300459,
"density_atomic": 0.05569051937120807,
"volume": 251.3892877651628,
"volume_molar": 10.813583403413974,
"formula_full": "Eu2 Mo2 Cl2 O8",
"formula_reduced": "EuMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.427043423928572,
"spacegroup": 12
}
]
}