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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4060",
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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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"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-38528",
"created_at": "2022-09-04T14:37:58.651685Z",
"updated_at": "2022-09-04T14:37:58.651718Z",
"structure_string": "Na1 Ca2 In1\n1.0\n0.000007 3.918348 3.918353\n3.918357 -0.000004 3.918363\n3.918349 3.918351 0.000005\nNa Ca In\n1 2 1\ndirect\n0.749999 0.750000 0.750002 Na\n-0.000000 -0.000000 0.000001 Ca\n0.500000 0.499999 0.500002 Ca\n0.250000 0.250001 0.250001 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Ca",
"In"
],
"chemical_system": "Ca-In-Na",
"density": 3.0081051482998555,
"density_atomic": 0.03324448405355204,
"volume": 120.32071225880902,
"volume_molar": 18.114706639150135,
"formula_full": "Na1 Ca2 In1",
"formula_reduced": "NaCa2In",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-120316",
"created_at": "2022-09-04T14:38:51.648361Z",
"updated_at": "2022-09-04T14:38:51.648384Z",
"structure_string": "Mg1 Br2\n1.0\n5.216196 -0.000000 -0.000000\n-2.608098 4.517358 -0.000000\n0.000000 -0.000000 4.313431\nMg Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666666 0.000000 Br\n0.666667 0.333333 0.000000 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Br"
],
"chemical_system": "Br-Mg",
"density": 3.007961583953682,
"density_atomic": 0.029516168981280358,
"volume": 101.63920669727327,
"volume_molar": 20.402853648857143,
"formula_full": "Mg1 Br2",
"formula_reduced": "MgBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3449633333333333,
"spacegroup": 191
},
{
"id": "jvasp-89055",
"created_at": "2022-09-04T14:35:48.278937Z",
"updated_at": "2022-09-04T14:35:48.278961Z",
"structure_string": "Ti4 Mn1 P6 O24\n1.0\n7.432775 -0.038996 4.284187\n2.457151 7.014989 4.284189\n-0.055287 -0.038999 8.578890\nTi Mn P O\n4 1 6 24\ndirect\n0.867484 0.867484 0.867484 Ti\n0.354018 0.354017 0.354018 Ti\n0.132516 0.132516 0.132516 Ti\n0.645983 0.645982 0.645983 Ti\n0.500000 0.500000 0.500000 Mn\n0.956036 0.253119 0.530746 P\n0.043964 0.746880 0.469254 P\n0.469254 0.043964 0.746880 P\n0.530746 0.956035 0.253120 P\n0.253119 0.530746 0.956036 P\n0.746881 0.469254 0.043965 P\n0.444333 0.237635 0.582586 O\n0.117192 0.317464 0.488953 O\n0.417414 0.555666 0.762365 O\n0.555667 0.762365 0.417414 O\n0.762365 0.417413 0.555667 O\n0.582586 0.444333 0.237635 O\n0.912472 0.281220 0.053829 O\n0.634960 0.006021 0.796486 O\n0.281220 0.053828 0.912472 O\n0.053828 0.912472 0.281220 O\n0.087528 0.718780 0.946172 O\n0.718780 0.946171 0.087529 O\n0.946172 0.087528 0.718780 O\n0.682536 0.511047 0.882808 O\n0.796486 0.634959 0.006022 O\n0.511047 0.882808 0.682536 O\n0.317464 0.488953 0.117192 O\n0.488953 0.117192 0.317464 O\n0.993979 0.203514 0.365041 O\n0.365041 0.993978 0.203515 O\n0.203514 0.365040 0.993979 O\n0.006021 0.796485 0.634960 O\n0.882808 0.682535 0.511047 O\n0.237635 0.582586 0.444334 O\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Ti",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Ti",
"density": 3.0077333041550376,
"density_atomic": 0.07766824196182097,
"volume": 450.6346367052417,
"volume_molar": 7.753672038772652,
"formula_full": "Ti4 Mn1 P6 O24",
"formula_reduced": "Ti4Mn(PO4)6",
"formula_anonymous": "AB4C6D24",
"energy_above_hull": 3.444759073563218,
"spacegroup": 148
},
{
"id": "jvasp-47308",
"created_at": "2022-09-04T14:38:09.932412Z",
"updated_at": "2022-09-04T14:38:09.932437Z",
"structure_string": "Li1 V1 F6\n1.0\n-4.937435 -0.001051 -0.482633\n-0.024059 -5.284445 0.220844\n2.119515 2.490185 3.739134\nLi V F\n1 1 6\ndirect\n0.483511 0.481189 0.962431 Li\n0.983512 0.981189 0.962428 V\n0.748897 0.216887 0.083971 F\n0.628492 0.746481 0.493187 F\n0.098379 0.216342 0.842655 F\n0.868644 0.746044 0.082214 F\n0.338538 0.215882 0.431660 F\n0.218104 0.745470 0.840884 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.0074598459233575,
"density_atomic": 0.08430110624877205,
"volume": 94.89792430946338,
"volume_molar": 7.143608225292678,
"formula_full": "Li1 V1 F6",
"formula_reduced": "LiVF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2399969868749999,
"spacegroup": 148
},
{
"id": "jvasp-117947",
"created_at": "2022-09-04T14:38:29.880966Z",
"updated_at": "2022-09-04T14:38:29.880989Z",
"structure_string": "C1 S1\n1.0\n2.725561 0.000000 0.000000\n0.000000 2.725561 0.000000\n0.000000 0.000000 3.275974\nC S\n1 1\ndirect\n0.000000 0.000000 0.000000 C\n0.499999 0.499999 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"C",
"S"
],
"chemical_system": "C-S",
"density": 3.0074336656708427,
"density_atomic": 0.08218219502942181,
"volume": 24.336171591474113,
"volume_molar": 7.327792544168516,
"formula_full": "C1 S1",
"formula_reduced": "CS",
"formula_anonymous": "AB",
"energy_above_hull": 3.56284,
"spacegroup": 123
},
{
"id": "jvasp-36517",
"created_at": "2022-09-04T14:37:33.392258Z",
"updated_at": "2022-09-04T14:37:33.392284Z",
"structure_string": "Na4 Co2 P4 O14\n1.0\n7.811432 -0.000000 -0.000000\n0.000000 7.811432 0.000000\n0.000000 0.000000 5.046841\nNa Co P O\n4 2 4 14\ndirect\n0.832588 0.667412 0.494011 Na\n0.667412 0.167412 0.505989 Na\n0.167412 0.332588 0.494011 Na\n0.332588 0.832588 0.505989 Na\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.639041 0.860959 0.072703 P\n0.860959 0.360959 0.927297 P\n0.360959 0.139041 0.072703 P\n0.139041 0.639041 0.927297 P\n0.919982 0.194545 0.788917 O\n0.580018 0.694545 0.211082 O\n0.805455 0.919982 0.211082 O\n0.694545 0.419982 0.788917 O\n0.194545 0.080018 0.211082 O\n0.305455 0.580018 0.788917 O\n0.500000 0.000000 0.184916 O\n0.359888 0.140112 0.774831 O\n0.859888 0.359888 0.225169 O\n0.640112 0.859888 0.774831 O\n0.419982 0.305455 0.211082 O\n0.000000 0.500000 0.815084 O\n0.140112 0.640112 0.225169 O\n0.080018 0.805455 0.788917 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"Co",
"P",
"O"
],
"chemical_system": "Co-Na-O-P",
"density": 3.007310292254848,
"density_atomic": 0.07793459917785987,
"volume": 307.95051560126666,
"volume_molar": 7.727172300272516,
"formula_full": "Na4 Co2 P4 O14",
"formula_reduced": "Na2CoP2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.3374895333333336,
"spacegroup": 113
},
{
"id": "jvasp-50491",
"created_at": "2022-09-04T14:36:52.317072Z",
"updated_at": "2022-09-04T14:36:52.317092Z",
"structure_string": "Li12 Cu4 O8\n1.0\n0.000000 5.100630 -0.243741\n8.777402 0.000000 0.000000\n0.000000 -2.644042 -5.615351\nLi Cu O\n12 4 8\ndirect\n0.245398 0.491673 0.002299 Li\n0.771617 0.967553 0.869049 Li\n0.288289 0.807397 0.809030 Li\n0.228383 0.467553 0.630951 Li\n0.711712 0.307397 0.690970 Li\n0.245398 0.008327 0.502299 Li\n0.754602 0.508327 -0.002299 Li\n0.288289 0.692603 0.309030 Li\n0.771617 0.532447 0.369049 Li\n0.711712 0.192603 0.190970 Li\n0.228383 0.032447 0.130951 Li\n0.754602 0.991673 0.497701 Li\n0.730425 0.684666 0.680599 Cu\n0.269575 0.184666 0.819400 Cu\n0.730425 0.815333 0.180599 Cu\n0.269575 0.315333 0.319401 Cu\n0.086186 0.002659 0.786100 O\n0.497378 0.651836 0.109869 O\n0.913815 0.997341 0.213900 O\n0.502622 0.151836 0.390131 O\n0.086185 0.497341 0.286100 O\n0.913815 0.502659 0.713900 O\n0.497378 0.848163 0.609869 O\n0.502622 0.348163 0.890131 O\n",
"nsites": 24,
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"elements": [
"Li",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O",
"density": 3.006848705970936,
"density_atomic": 0.09336431293350111,
"volume": 257.05753350419917,
"volume_molar": 6.450152709086265,
"formula_full": "Li12 Cu4 O8",
"formula_reduced": "Li3CuO2",
"formula_anonymous": "AB2C3",
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"spacegroup": 14
},
{
"id": "jvasp-67727",
"created_at": "2022-09-04T14:35:57.918640Z",
"updated_at": "2022-09-04T14:35:57.918667Z",
"structure_string": "Li1 Be1 Br4\n1.0\n0.000000 4.525120 4.525120\n4.525120 0.000000 4.525120\n4.525120 4.525120 -0.000000\nLi Be Br\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Be\n0.625454 0.123636 0.625454 Br\n0.123636 0.625454 0.625454 Br\n0.625454 0.625454 0.625454 Br\n0.625454 0.625454 0.123636 Br\n",
"nsites": 6,
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"elements": [
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"Be",
"Br"
],
"chemical_system": "Be-Br-Li",
"density": 3.0068438096728602,
"density_atomic": 0.03237657861819187,
"volume": 185.3191490909635,
"volume_molar": 18.600300022486806,
"formula_full": "Li1 Be1 Br4",
"formula_reduced": "LiBeBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.48224542,
"spacegroup": 216
},
{
"id": "jvasp-101520",
"created_at": "2022-09-04T14:37:05.454814Z",
"updated_at": "2022-09-04T14:37:05.454833Z",
"structure_string": "Rb2 Li1 La1 Cl6\n1.0\n6.452386 -0.000000 3.725287\n2.150795 6.083368 3.725287\n-0.000000 -0.000000 7.450573\nRb Li La Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 La\n0.739020 0.260981 0.260980 Cl\n0.260981 0.260981 0.739019 Cl\n0.260981 0.739020 0.739019 Cl\n0.260981 0.739020 0.260980 Cl\n0.739020 0.260981 0.739019 Cl\n0.739020 0.739020 0.260980 Cl\n",
"nsites": 10,
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"elements": [
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"Li",
"La",
"Cl"
],
"chemical_system": "Cl-La-Li-Rb",
"density": 3.006498668927583,
"density_atomic": 0.034193684214794226,
"volume": 292.45166847722726,
"volume_molar": 17.611851130667173,
"formula_full": "Rb2 Li1 La1 Cl6",
"formula_reduced": "Rb2LiLaCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-24872",
"created_at": "2022-09-04T14:38:29.548808Z",
"updated_at": "2022-09-04T14:38:29.548837Z",
"structure_string": "K2 Mn1 F4\n1.0\n3.995469 0.000000 -1.203778\n-0.362682 3.978974 -1.203778\n0.008294 0.009084 7.260113\nK Mn F\n2 1 4\ndirect\n0.354220 0.354220 0.708442 K\n0.645779 0.645778 0.291556 K\n0.000000 0.000000 0.000000 Mn\n0.160049 0.160049 0.320100 F\n0.839950 0.839949 0.679898 F\n0.000000 0.499999 -0.000000 F\n0.500000 -0.000000 -0.000000 F\n",
"nsites": 7,
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"elements": [
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],
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"density": 3.006428601705751,
"density_atomic": 0.06060202238931066,
"volume": 115.50769634438308,
"volume_molar": 9.937194374988746,
"formula_full": "K2 Mn1 F4",
"formula_reduced": "K2MnF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0019499999999997,
"spacegroup": 139
},
{
"id": "jvasp-93206",
"created_at": "2022-09-04T14:36:17.259411Z",
"updated_at": "2022-09-04T14:36:17.259437Z",
"structure_string": "Mg6 Ti1 Sb1\n1.0\n6.257049 0.074857 0.000000\n-3.063696 5.456191 0.000000\n0.000000 0.000000 5.069607\nMg Ti Sb\n6 1 1\ndirect\n0.162213 0.820657 0.250000 Mg\n0.679343 0.337787 0.250000 Mg\n0.664976 0.835024 0.250000 Mg\n0.330486 0.663471 0.750001 Mg\n0.836529 0.169514 0.750001 Mg\n0.831232 0.668768 0.750001 Mg\n0.170842 0.329158 0.250000 Ti\n0.324378 0.175622 0.750001 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Ti",
"Sb"
],
"chemical_system": "Mg-Sb-Ti",
"density": 3.0064096598118035,
"density_atomic": 0.04591439634528219,
"volume": 174.23729019192515,
"volume_molar": 13.11601858970926,
"formula_full": "Mg6 Ti1 Sb1",
"formula_reduced": "Mg6TiSb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0473160916666666,
"spacegroup": 38
}
]
}