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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=3872",
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"results": [
{
"id": "jvasp-113159",
"created_at": "2022-09-04T14:38:46.615223Z",
"updated_at": "2022-09-04T14:38:46.615253Z",
"structure_string": "Li2 Mn2 P4 H2 O14\n1.0\n5.789994 -0.033915 2.256884\n-1.298524 6.987952 1.097152\n-0.015153 -0.185491 6.420327\nLi Mn P H O\n2 2 4 2 14\ndirect\n0.399158 0.109120 0.172741 Li\n0.600842 0.890879 0.827258 Li\n0.273827 0.311631 0.714173 Mn\n0.726173 0.688367 0.285827 Mn\n0.245384 0.674855 0.313488 P\n0.754616 0.325143 0.686511 P\n0.880445 0.138127 0.285105 P\n0.119556 0.861873 0.714895 P\n0.205306 0.685085 0.959113 H\n0.794694 0.314913 0.040887 H\n0.923094 0.258024 0.464828 O\n0.076905 0.741975 0.535171 O\n0.298147 0.762008 0.794634 O\n0.701855 0.237991 0.205365 O\n0.635504 0.483644 0.616066 O\n0.364496 0.516354 0.383935 O\n0.926637 0.385069 0.799036 O\n0.436206 0.843165 0.170654 O\n0.881989 0.833120 0.907550 O\n0.118009 0.166878 0.092451 O\n0.234689 0.062348 0.587318 O\n0.073362 0.614930 0.200964 O\n0.563796 0.156836 0.829345 O\n0.765312 0.937651 0.412681 O\n",
"nsites": 24,
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"elements": [
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"Mn",
"P",
"H",
"O"
],
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"density": 3.0083865174851256,
"density_atomic": 0.09179700259585837,
"volume": 261.44644510520016,
"volume_molar": 6.560280390104701,
"formula_full": "Li2 Mn2 P4 H2 O14",
"formula_reduced": "LiMnP2HO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.9138893951149427,
"spacegroup": 2
},
{
"id": "jvasp-113156",
"created_at": "2022-09-04T14:38:47.322444Z",
"updated_at": "2022-09-04T14:38:47.322469Z",
"structure_string": "Ca2 Fe3 O8\n1.0\n4.704397 -0.015391 -1.451760\n-0.847202 5.046059 -2.798721\n-0.019032 0.059975 6.190390\nCa Fe O\n2 3 8\ndirect\n0.669647 0.724541 0.449083 Ca\n0.330354 0.275460 0.550918 Ca\n0.500000 0.000000 -0.000000 Fe\n0.000002 0.743653 0.000003 Fe\n-0.000002 0.256347 0.999997 Fe\n0.036170 0.397797 0.795588 O\n0.963831 0.602204 0.204413 O\n0.100424 0.903356 0.806708 O\n0.899577 0.096645 0.193293 O\n0.389713 0.320846 0.199201 O\n0.389718 0.878359 0.199206 O\n0.610283 0.121641 0.800794 O\n0.610288 0.679154 0.800800 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.226739659565298,
"density_atomic": 0.0880794331890418,
"volume": 147.59404697914616,
"volume_molar": 6.837170201895931,
"formula_full": "Ca2 Fe3 O8",
"formula_reduced": "Ca2Fe3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.5546296415384613,
"spacegroup": 12
},
{
"id": "jvasp-113155",
"created_at": "2022-09-04T14:38:44.724381Z",
"updated_at": "2022-09-04T14:38:44.724410Z",
"structure_string": "Li4 Ti2 Cr6 O16\n1.0\n5.066527 0.003847 2.956016\n1.703326 9.514157 -2.930968\n-0.027304 0.003486 5.865831\nLi Ti Cr O\n4 2 6 16\ndirect\n0.937725 0.186848 0.124543 Li\n0.437698 0.686850 0.124567 Li\n0.562300 0.313151 0.875435 Li\n0.062280 0.813153 0.875455 Li\n0.749998 0.750001 0.500002 Ti\n0.250003 0.250000 0.499997 Ti\n-0.000002 0.500000 0.500001 Cr\n0.000002 0.000000 0.499999 Cr\n0.500000 0.500001 0.500001 Cr\n-0.000003 0.500000 0.000002 Cr\n0.500003 0.000001 0.499999 Cr\n0.500002 0.000001 -0.000001 Cr\n0.095968 0.618786 0.261428 O\n0.357389 0.381223 0.738597 O\n0.857391 0.881223 0.738597 O\n0.904032 0.381214 0.738573 O\n0.404021 0.881217 0.738583 O\n0.595984 0.118785 0.261416 O\n0.142615 0.118777 0.261400 O\n0.368438 0.894699 0.263114 O\n0.142638 0.118789 0.714750 O\n0.642626 0.618789 0.714764 O\n0.131567 0.605302 0.736882 O\n0.631568 0.105301 0.736882 O\n0.857367 0.881211 0.285247 O\n0.868430 0.394699 0.263121 O\n0.642609 0.618779 0.261406 O\n0.357371 0.381212 0.285239 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 4.049332690028529,
"density_atomic": 0.0987466091055593,
"volume": 283.554040524756,
"volume_molar": 6.098579803952947,
"formula_full": "Li4 Ti2 Cr6 O16",
"formula_reduced": "Li2TiCr3O8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.255489895238096,
"spacegroup": 166
},
{
"id": "jvasp-113154",
"created_at": "2022-09-04T14:38:44.072250Z",
"updated_at": "2022-09-04T14:38:44.072283Z",
"structure_string": "Li6 Fe4 O12\n1.0\n4.805460 0.012231 -0.882113\n-0.415977 8.101285 2.381901\n0.054188 0.034848 4.924398\nLi Fe O\n6 4 12\ndirect\n0.749962 0.249971 0.749975 Li\n0.249970 0.749963 0.249971 Li\n0.226551 0.424457 0.575606 Li\n0.726564 0.924492 0.075494 Li\n0.273416 0.075511 0.924505 Li\n0.773415 0.575487 0.424579 Li\n0.998580 0.833808 0.666173 Fe\n0.001435 0.166200 0.333805 Fe\n0.498579 0.333817 0.166181 Fe\n0.501439 0.666209 0.833807 Fe\n0.853482 0.723507 0.003032 O\n0.353474 0.223503 0.503043 O\n0.408504 0.538528 0.188074 O\n0.908499 0.038529 0.688058 O\n0.646537 0.776508 0.496946 O\n0.645674 0.145625 0.124863 O\n0.354341 0.854391 0.875118 O\n0.854336 0.354387 0.375134 O\n0.145675 0.645622 0.624871 O\n0.591518 0.461486 0.811926 O\n0.146538 0.276514 -0.003059 O\n0.091512 0.961490 0.311904 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.9580219399163035,
"density_atomic": 0.11474075809458828,
"volume": 191.7365752618086,
"volume_molar": 5.248475659395206,
"formula_full": "Li6 Fe4 O12",
"formula_reduced": "Li3(FeO3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.412293818181818,
"spacegroup": 12
},
{
"id": "jvasp-113150",
"created_at": "2022-09-04T14:38:45.950718Z",
"updated_at": "2022-09-04T14:38:45.950759Z",
"structure_string": "Li4 V6 O12\n1.0\n2.844508 -0.006268 0.543179\n1.306463 9.733113 0.982512\n0.012202 0.031535 7.658430\nLi V O\n4 6 12\ndirect\n0.993530 0.996973 0.016182 Li\n0.993604 0.496938 0.516174 Li\n0.673104 0.003021 0.650539 Li\n0.673075 0.503057 0.150487 Li\n0.991901 0.259795 0.756566 V\n0.674761 0.240193 0.410209 V\n0.674843 0.740201 0.910104 V\n0.333390 0.750010 0.583217 V\n0.333289 0.249993 0.083422 V\n0.991825 0.759803 0.256463 V\n0.156518 0.640070 0.046744 O\n0.156466 0.140065 0.546851 O\n0.834565 0.362359 0.968671 O\n0.834591 0.862409 0.468528 O\n0.832125 0.637656 0.697976 O\n0.494631 0.637669 0.372877 O\n0.171966 0.362326 0.293785 O\n0.172083 0.862312 0.793646 O\n0.494663 0.137677 0.873014 O\n0.510193 0.359929 0.619923 O\n0.832052 0.137603 0.198132 O\n0.510153 0.859931 0.119822 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 4.116080158832309,
"density_atomic": 0.10379168069689042,
"volume": 211.96303838886692,
"volume_molar": 5.802142059522911,
"formula_full": "Li4 V6 O12",
"formula_reduced": "Li2V3O6",
"formula_anonymous": "A2B3C6",
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"spacegroup": 12
},
{
"id": "jvasp-11315",
"created_at": "2022-09-04T14:37:06.564057Z",
"updated_at": "2022-09-04T14:37:06.564075Z",
"structure_string": "Mg2 Ni2 F8\n1.0\n-4.918183 -0.000452 -0.004582\n0.000492 -4.918151 -0.008727\n2.454080 2.449554 5.425644\nMg Ni F\n2 2 8\ndirect\n0.787527 0.787999 0.575663 Mg\n0.210832 0.211298 0.422329 Mg\n0.954943 0.455464 0.910586 Ni\n0.543363 0.043882 0.087402 Ni\n0.580523 0.515273 0.650031 F\n0.892751 0.828257 0.155606 F\n0.262159 0.327661 0.155603 F\n0.483616 0.930017 0.347959 F\n0.068833 0.135138 0.650053 F\n0.170541 0.736672 0.842410 F\n0.671126 0.106100 0.842383 F\n0.863702 0.418250 0.347952 F\n",
"nsites": 12,
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"elements": [
"Mg",
"Ni",
"F"
],
"chemical_system": "F-Mg-Ni",
"density": 4.028355614702702,
"density_atomic": 0.09154921982895799,
"volume": 131.0770318132659,
"volume_molar": 6.578036133187378,
"formula_full": "Mg2 Ni2 F8",
"formula_reduced": "MgNiF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 82
},
{
"id": "jvasp-113145",
"created_at": "2022-09-04T14:38:45.939063Z",
"updated_at": "2022-09-04T14:38:45.939084Z",
"structure_string": "Li2 V2 C4 O12\n1.0\n4.360818 -0.011224 -1.528288\n-1.570451 6.273819 2.524929\n-0.038539 -0.048239 6.942523\nLi V C O\n2 2 4 12\ndirect\n0.749992 0.082545 0.417449 Li\n0.250009 0.582550 0.917455 Li\n0.500000 0.159794 0.840205 V\n0.000000 0.659801 0.340199 V\n0.121013 0.120398 0.119125 C\n0.621022 0.620398 0.619126 C\n0.378979 0.380874 0.379603 C\n0.878988 0.880876 0.879601 C\n0.904038 0.627987 0.612889 O\n0.404029 0.127988 0.112887 O\n0.595972 0.887114 0.872012 O\n0.095963 0.387110 0.372013 O\n0.512803 0.238338 0.528130 O\n0.026641 0.020416 0.739408 O\n0.987190 0.971870 0.261659 O\n0.487197 0.471870 0.761661 O\n0.973359 0.260593 0.979583 O\n0.526633 0.520419 0.239408 O\n0.012810 0.738341 0.028131 O\n0.473368 0.760592 0.479581 O\n",
"nsites": 20,
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"elements": [
"Li",
"V",
"C",
"O"
],
"chemical_system": "C-Li-O-V",
"density": 3.1117952105616618,
"density_atomic": 0.10533803923193044,
"volume": 189.86493526772927,
"volume_molar": 5.71696682785277,
"formula_full": "Li2 V2 C4 O12",
"formula_reduced": "LiV(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 3.60533352,
"spacegroup": 149
},
{
"id": "jvasp-11314",
"created_at": "2022-09-04T14:37:15.033713Z",
"updated_at": "2022-09-04T14:37:15.033735Z",
"structure_string": "Ca2 Fe2 F8\n1.0\n5.411787 0.000582 -0.001953\n-0.000600 5.363929 -0.000651\n-2.703375 -2.679969 5.344341\nCa Fe F\n2 2 8\ndirect\n0.251266 0.248645 0.502099 Ca\n0.751198 0.748642 0.502095 Ca\n0.550486 0.059047 0.002150 Fe\n0.952042 0.559007 0.002109 Fe\n0.451271 0.312283 0.268826 F\n0.184551 0.044986 0.735241 F\n0.582900 0.672531 0.760171 F\n0.050945 0.544937 0.735135 F\n0.824917 0.914737 0.244216 F\n0.317904 0.812244 0.268739 F\n0.919668 0.414712 0.244161 F\n0.677574 0.172515 0.760126 F\n",
"nsites": 12,
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"elements": [
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"F"
],
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"density": 3.6811607791140633,
"density_atomic": 0.07736937583385346,
"volume": 155.10012677069219,
"volume_molar": 7.783623294224605,
"formula_full": "Ca2 Fe2 F8",
"formula_reduced": "CaFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 46
},
{
"id": "jvasp-113138",
"created_at": "2022-09-04T14:38:45.933164Z",
"updated_at": "2022-09-04T14:38:45.933184Z",
"structure_string": "Sr6 Os6 N10\n1.0\n5.742002 0.017095 -1.542327\n-0.962355 6.609628 -2.517443\n-0.001609 0.013307 9.532106\nSr Os N\n6 6 10\ndirect\n0.820463 0.422961 0.618312 Sr\n0.179536 0.577041 0.381688 Sr\n0.659579 0.866702 0.893095 Sr\n0.340419 0.133299 0.106906 Sr\n0.663797 0.689675 0.211710 Sr\n0.336202 0.310326 0.788291 Sr\n0.903645 0.127767 0.291929 Os\n0.352043 0.088008 0.413551 Os\n0.096354 0.872235 0.708072 Os\n0.119045 0.676128 0.031469 Os\n0.880954 0.323874 0.968532 Os\n0.647956 0.911993 0.586449 Os\n0.129274 0.757628 0.864992 N\n0.898297 0.105949 0.780786 N\n0.101701 0.894053 0.219215 N\n0.826463 0.701452 0.497549 N\n0.173536 0.298550 0.502451 N\n0.728656 0.540679 0.922467 N\n0.271343 0.459323 0.077533 N\n0.361658 0.902670 0.642984 N\n0.638340 0.097331 0.357017 N\n0.870725 0.242374 0.135008 N\n",
"nsites": 22,
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"elements": [
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"Os",
"N"
],
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"density": 8.286957163336531,
"density_atomic": 0.060753372300007685,
"volume": 362.1198160220847,
"volume_molar": 9.912438654864989,
"formula_full": "Sr6 Os6 N10",
"formula_reduced": "Sr3Os3N5",
"formula_anonymous": "A3B3C5",
"energy_above_hull": 4.59234547090909,
"spacegroup": 2
},
{
"id": "jvasp-113136",
"created_at": "2022-09-04T14:38:46.884867Z",
"updated_at": "2022-09-04T14:38:46.884890Z",
"structure_string": "Dy1 Mg2 Ti3 S8\n1.0\n6.413138 0.008256 3.992142\n2.217959 6.017664 3.991164\n0.007779 0.006103 7.553837\nDy Mg Ti S\n1 2 3 8\ndirect\n0.499995 0.499997 0.499990 Dy\n0.871763 0.871750 0.871764 Mg\n0.128244 0.128253 0.128251 Mg\n0.500018 0.500013 0.999968 Ti\n0.999975 0.500009 0.500016 Ti\n0.500011 0.999975 0.500016 Ti\n0.740755 0.740760 0.740759 S\n0.245815 0.245837 0.728451 S\n0.245811 0.728448 0.245829 S\n0.728445 0.245808 0.245810 S\n0.754183 0.271549 0.754158 S\n0.271556 0.754185 0.754181 S\n0.259260 0.259250 0.259250 S\n0.754179 0.754157 0.271556 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Dy",
"Mg",
"Ti",
"S"
],
"chemical_system": "Dy-Mg-S-Ti",
"density": 3.4867845332451712,
"density_atomic": 0.048094861308980816,
"volume": 291.09138937023533,
"volume_molar": 12.521380862939465,
"formula_full": "Dy1 Mg2 Ti3 S8",
"formula_reduced": "DyMg2Ti3S8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.210804971428572,
"spacegroup": 166
},
{
"id": "jvasp-113134",
"created_at": "2022-09-04T14:38:45.894554Z",
"updated_at": "2022-09-04T14:38:45.894576Z",
"structure_string": "Mg2 In3 Mo1 S8\n1.0\n6.585139 0.000219 3.802153\n2.194779 6.231991 3.801884\n-0.000080 0.000115 7.604017\nMg In Mo S\n2 3 1 8\ndirect\n0.874551 0.876357 0.874546 Mg\n0.125454 0.123644 0.125450 Mg\n0.500000 0.500006 0.499992 In\n0.499999 0.499994 0.000002 In\n-0.000001 0.499999 0.500004 In\n0.500001 -0.000000 0.500002 Mo\n0.734041 0.757831 0.734044 S\n0.265952 0.242177 0.725914 S\n0.256405 0.730794 0.256401 S\n0.725917 0.242177 0.265949 S\n0.743592 0.269208 0.743593 S\n0.274086 0.757822 0.734050 S\n0.265956 0.242164 0.265965 S\n0.734052 0.757828 0.274083 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"In",
"Mo",
"S"
],
"chemical_system": "In-Mg-Mo-S",
"density": 3.9671717539464675,
"density_atomic": 0.0448640331115632,
"volume": 312.05397796462614,
"volume_molar": 13.423092714435123,
"formula_full": "Mg2 In3 Mo1 S8",
"formula_reduced": "Mg2In3MoS8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.523219565,
"spacegroup": 166
},
{
"id": "jvasp-113132",
"created_at": "2022-09-04T14:38:46.544943Z",
"updated_at": "2022-09-04T14:38:46.544977Z",
"structure_string": "Sm2 Mg2 Mn2 S8\n1.0\n6.722572 -0.000830 4.046217\n2.303770 6.179938 3.772421\n0.011081 -0.014425 7.602307\nSm Mg Mn S\n2 2 2 8\ndirect\n0.500002 0.500005 0.499993 Sm\n-0.000003 0.499997 0.500007 Sm\n0.874291 0.875874 0.875625 Mg\n0.125712 0.124124 0.124373 Mg\n0.499997 0.499999 -0.000002 Mn\n0.500001 0.000005 0.499998 Mn\n0.708845 0.761082 0.761056 S\n0.270870 0.227845 0.729828 S\n0.271489 0.729726 0.227896 S\n0.730793 0.238679 0.239232 S\n0.728501 0.270277 0.772104 S\n0.269209 0.761318 0.760771 S\n0.291154 0.238910 0.238955 S\n0.729137 0.772161 0.270169 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S-Sm",
"density": 3.763343817808624,
"density_atomic": 0.04433084266878106,
"volume": 315.8072158610052,
"volume_molar": 13.584539335276272,
"formula_full": "Sm2 Mg2 Mn2 S8",
"formula_reduced": "SmMgMnS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8425850237684729,
"spacegroup": 74
}
]
}