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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1596",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=1594",
"results": [
{
"id": "jvasp-39846",
"created_at": "2022-09-04T14:37:53.671455Z",
"updated_at": "2022-09-04T14:37:53.671478Z",
"structure_string": "Fe2 H8 Br6 N2\n1.0\n0.000000 7.416255 0.018044\n6.089898 0.000000 0.000000\n0.000000 -3.691278 -6.433235\nFe H Br N\n2 8 6 2\ndirect\n0.000041 0.013181 0.000034 Fe\n0.999959 0.513181 0.999968 Fe\n0.466256 0.790166 0.800412 H\n0.334276 0.788665 0.533321 H\n0.334332 0.565657 0.667566 H\n0.199141 0.788778 0.665369 H\n0.800859 0.288778 0.334632 H\n0.665724 0.288665 0.466681 H\n0.665668 0.065657 0.332435 H\n0.533743 0.290166 0.199589 H\n0.202802 0.264922 0.874001 Br\n0.671092 0.264892 0.797126 Br\n0.125876 0.264908 0.328756 Br\n0.797197 0.764922 0.126001 Br\n0.328908 0.764892 0.202875 Br\n0.874124 0.764909 0.671246 Br\n0.666518 0.235833 0.333352 N\n0.333481 0.735833 0.666649 N\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Fe",
"H",
"Br",
"N"
],
"chemical_system": "Br-Fe-H-N",
"density": 3.58947955229143,
"density_atomic": 0.062037620104129776,
"volume": 290.1465267330872,
"volume_molar": 9.707240138954191,
"formula_full": "Fe2 H8 Br6 N2",
"formula_reduced": "FeH4Br3N",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 2.395292340555556,
"spacegroup": 173
},
{
"id": "jvasp-55644",
"created_at": "2022-09-04T14:38:35.473479Z",
"updated_at": "2022-09-04T14:38:35.473506Z",
"structure_string": "K4 Fe4 Br12\n1.0\n3.976757 -0.000000 0.000000\n0.000000 9.135649 0.000000\n0.000000 0.000000 14.866946\nK Fe Br\n4 4 12\ndirect\n0.250000 0.935784 0.327497 K\n0.750001 0.064216 0.672503 K\n0.250000 0.435784 0.172503 K\n0.750001 0.564216 0.827497 K\n0.250000 0.659887 0.554511 Fe\n0.750001 0.340113 0.445489 Fe\n0.250000 0.159887 0.945489 Fe\n0.750001 0.840114 0.054511 Fe\n0.250000 0.023992 0.101798 Br\n0.750001 0.976008 0.898202 Br\n0.250000 0.674301 0.994791 Br\n0.750001 0.325699 0.005209 Br\n0.250000 0.174301 0.505210 Br\n0.250000 0.278407 0.792409 Br\n0.250000 0.778407 0.707591 Br\n0.750001 0.221593 0.292409 Br\n0.750001 0.476008 0.601798 Br\n0.750001 0.721593 0.207591 Br\n0.750001 0.825699 0.494791 Br\n0.250000 0.523992 0.398202 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"K",
"Fe",
"Br"
],
"chemical_system": "Br-Fe-K",
"density": 4.115442827621308,
"density_atomic": 0.03702881144603518,
"volume": 540.1199557578962,
"volume_molar": 16.263392004295113,
"formula_full": "K4 Fe4 Br12",
"formula_reduced": "KFeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.279203163,
"spacegroup": 62
},
{
"id": "jvasp-8567",
"created_at": "2022-09-04T14:37:06.301506Z",
"updated_at": "2022-09-04T14:37:06.301527Z",
"structure_string": "Li2 Fe1 Br4\n1.0\n3.777528 0.000000 0.000000\n0.000000 6.269085 -2.215650\n0.000000 -0.000361 6.649100\nLi Fe Br\n2 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.239460 0.239460 Br\n0.500000 0.760541 0.760540 Br\n0.000000 0.242658 0.757342 Br\n0.000000 0.757343 0.242658 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Fe",
"Br"
],
"chemical_system": "Br-Fe-Li",
"density": 4.1059635235123455,
"density_atomic": 0.04445613048595546,
"volume": 157.45859847634364,
"volume_molar": 13.546254912812328,
"formula_full": "Li2 Fe1 Br4",
"formula_reduced": "Li2FeBr4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5715959885714286,
"spacegroup": 65
},
{
"id": "jvasp-12128",
"created_at": "2022-09-04T14:36:57.816488Z",
"updated_at": "2022-09-04T14:36:57.816512Z",
"structure_string": "Sr4 Fe2 Br2 O6\n1.0\n3.925504 -0.000000 0.000000\n-0.000000 3.925504 0.000000\n0.000000 0.000000 15.372014\nSr Fe Br O\n4 2 2 6\ndirect\n0.749999 0.749999 0.677976 Sr\n0.250000 0.250000 0.090473 Sr\n0.749999 0.749999 0.909527 Sr\n0.250000 0.250000 0.322024 Sr\n0.250000 0.250000 0.804757 Fe\n0.749999 0.749999 0.195243 Fe\n0.749999 0.749999 0.414864 Br\n0.250000 0.250000 0.585136 Br\n0.749999 0.250000 0.785331 O\n0.250000 0.749999 0.785331 O\n0.749999 0.250000 0.214669 O\n0.250000 0.749999 0.214669 O\n0.749999 0.749999 0.070116 O\n0.250000 0.250000 0.929884 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"Br",
"O"
],
"chemical_system": "Br-Fe-O-Sr",
"density": 5.033110172935909,
"density_atomic": 0.059102576784737036,
"volume": 236.87630491967712,
"volume_molar": 10.189303220964113,
"formula_full": "Sr4 Fe2 Br2 O6",
"formula_reduced": "Sr2FeBrO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.1992761035714288,
"spacegroup": 129
},
{
"id": "jvasp-101723",
"created_at": "2022-09-04T14:36:43.821115Z",
"updated_at": "2022-09-04T14:36:43.821140Z",
"structure_string": "Fe4 Se3 Br1\n1.0\n4.789061 -0.015472 -4.571491\n-0.887350 4.706161 -4.571491\n0.012870 0.015472 6.620685\nFe Se Br\n4 3 1\ndirect\n0.249025 0.249025 0.497183 Fe\n0.751843 0.751843 0.502818 Fe\n0.249025 0.751843 0.000000 Fe\n0.751843 0.249025 0.000000 Fe\n0.873107 0.873107 0.000000 Se\n0.626763 0.126763 0.500000 Se\n0.126763 0.626763 0.500000 Se\n0.371629 0.371629 0.000000 Br\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Fe",
"Se",
"Br"
],
"chemical_system": "Br-Fe-Se",
"density": 5.987499864535931,
"density_atomic": 0.053402399267151505,
"volume": 149.80600328421764,
"volume_molar": 11.276910480882263,
"formula_full": "Fe4 Se3 Br1",
"formula_reduced": "Fe4Se3Br",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.576643275625,
"spacegroup": 107
},
{
"id": "jvasp-31920",
"created_at": "2022-09-04T14:37:07.623604Z",
"updated_at": "2022-09-04T14:37:07.623622Z",
"structure_string": "Fe2 Se2 Br14\n1.0\n6.489716 0.000000 0.000000\n0.000000 6.411474 -1.260008\n0.000000 0.037224 14.391633\nFe Se Br\n2 2 14\ndirect\n0.504171 0.557452 0.139910 Fe\n0.495829 0.557452 0.639910 Fe\n0.919215 0.842112 0.301619 Se\n0.080786 0.842111 0.801619 Se\n0.126160 0.118507 0.266562 Br\n0.343672 0.333171 0.511402 Br\n0.625422 0.472410 0.282607 Br\n0.656328 0.333171 0.011402 Br\n0.873840 0.118506 0.766562 Br\n0.620081 0.898617 0.141167 Br\n0.379919 0.898617 0.641167 Br\n0.132231 0.699055 0.407140 Br\n0.686891 0.041893 0.413113 Br\n0.313109 0.041892 0.913113 Br\n0.867770 0.699054 0.907140 Br\n0.145301 0.533480 0.129278 Br\n0.374578 0.472409 0.782607 Br\n0.854700 0.533480 0.629277 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Se",
"Br"
],
"chemical_system": "Br-Fe-Se",
"density": 3.8477551853951155,
"density_atomic": 0.030044027599940126,
"volume": 599.1207383938055,
"volume_molar": 20.04438566023685,
"formula_full": "Fe2 Se2 Br14",
"formula_reduced": "FeSeBr7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.5257008446296298,
"spacegroup": 7
},
{
"id": "jvasp-27257",
"created_at": "2022-09-04T14:37:50.815143Z",
"updated_at": "2022-09-04T14:37:50.815169Z",
"structure_string": "Fe2 Te2 Br14\n1.0\n6.747238 0.044797 -0.054240\n1.047412 8.690964 -0.023398\n2.309778 0.636040 10.070773\nFe Te Br\n2 2 14\ndirect\n0.498154 0.121204 0.119586 Fe\n0.769614 0.548329 0.557159 Fe\n0.951011 0.505446 0.082359 Te\n0.192978 0.936123 0.543699 Te\n0.331306 0.185594 0.572099 Br\n0.739196 0.340285 0.708199 Br\n0.670500 0.483974 0.364100 Br\n0.556952 0.762477 0.654758 Br\n0.113719 0.604399 0.501571 Br\n0.640650 0.626859 -0.005815 Br\n0.067575 0.756904 0.129627 Br\n0.975755 0.919966 0.776291 Br\n0.407130 0.050560 0.933998 Br\n0.492681 0.905064 0.275538 Br\n0.285854 0.332760 0.219557 Br\n0.843583 0.175865 0.065573 Br\n0.192947 0.476891 0.859287 Br\n0.910803 0.050599 0.424907 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Te",
"Br"
],
"chemical_system": "Br-Fe-Te",
"density": 4.172342801467652,
"density_atomic": 0.030445091693269255,
"volume": 591.2283063998591,
"volume_molar": 19.780333791313115,
"formula_full": "Fe2 Te2 Br14",
"formula_reduced": "FeTeBr7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.4492891112962965,
"spacegroup": 1
},
{
"id": "jvasp-29924",
"created_at": "2022-09-04T14:38:35.498162Z",
"updated_at": "2022-09-04T14:38:35.498193Z",
"structure_string": "Th6 Fe1 Br15\n1.0\n9.402332 -0.000036 -3.324280\n-4.701166 8.142686 -3.324194\n-0.000045 0.000029 9.972714\nTh Fe Br\n6 1 15\ndirect\n0.000002 0.240315 0.240316 Th\n0.759688 0.759687 0.999999 Th\n0.999997 0.759685 0.759684 Th\n0.240311 0.000000 0.240311 Th\n0.759687 -0.000001 0.759688 Th\n0.240313 0.240315 0.000002 Th\n-0.000001 -0.000001 -0.000001 Fe\n0.490258 0.745129 0.745129 Br\n0.745130 -0.000002 0.254866 Br\n0.745125 0.745130 0.490258 Br\n0.999999 0.254869 0.745129 Br\n0.254874 0.254869 0.509742 Br\n0.500000 0.500000 0.999998 Br\n0.745131 0.490261 0.745130 Br\n0.000000 0.745128 0.254870 Br\n0.509742 0.254870 0.254872 Br\n0.500000 -0.000000 0.500000 Br\n0.254871 0.000005 0.745135 Br\n0.745130 0.254868 0.000001 Br\n0.254872 0.509741 0.254872 Br\n0.254867 0.745131 -0.000002 Br\n0.000001 0.500000 0.500002 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Th",
"Fe",
"Br"
],
"chemical_system": "Br-Fe-Th",
"density": 5.756084024775413,
"density_atomic": 0.028814223862968603,
"volume": 763.5118025259014,
"volume_molar": 20.89988884878319,
"formula_full": "Th6 Fe1 Br15",
"formula_reduced": "Th6FeBr15",
"formula_anonymous": "AB6C15",
"energy_above_hull": 1.2222332125000004,
"spacegroup": 229
},
{
"id": "jvasp-88753",
"created_at": "2022-09-04T14:35:59.109463Z",
"updated_at": "2022-09-04T14:35:59.109490Z",
"structure_string": "Tl4 Fe4 Br12\n1.0\n3.919334 0.000000 0.000000\n-0.000000 9.256743 0.000000\n0.000000 0.000000 15.148554\nTl Fe Br\n4 4 12\ndirect\n0.749999 0.559957 0.172078 Tl\n0.250000 0.440043 0.827922 Tl\n0.749999 0.059957 0.327922 Tl\n0.250000 0.940043 0.672078 Tl\n0.250000 0.155732 0.054699 Fe\n0.749999 0.844268 0.945301 Fe\n0.749999 0.344268 0.554699 Fe\n0.250000 0.655732 0.445301 Fe\n0.749999 0.725838 0.794603 Br\n0.749999 0.322679 0.997968 Br\n0.749999 0.225838 0.705396 Br\n0.250000 0.774162 0.294603 Br\n0.749999 0.973611 0.101248 Br\n0.250000 0.026388 0.898751 Br\n0.749999 0.473611 0.398752 Br\n0.250000 0.526388 0.601248 Br\n0.250000 0.177321 0.497968 Br\n0.749999 0.822679 0.502031 Br\n0.250000 0.677321 0.002031 Br\n0.250000 0.274162 0.205396 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Fe",
"Br"
],
"chemical_system": "Br-Fe-Tl",
"density": 6.042067524721839,
"density_atomic": 0.03639052615669709,
"volume": 549.5935924058994,
"volume_molar": 16.548649871311966,
"formula_full": "Tl4 Fe4 Br12",
"formula_reduced": "TlFeBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.417070083,
"spacegroup": 62
},
{
"id": "jvasp-32238",
"created_at": "2022-09-04T14:36:58.680972Z",
"updated_at": "2022-09-04T14:36:58.680997Z",
"structure_string": "Ge2 Br4 F20\n1.0\n5.064914 0.033147 0.000000\n-2.171043 5.952948 0.000000\n0.000000 0.000000 12.835476\nGe Br F\n2 4 20\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Ge\n0.349149 0.657145 0.138067 Br\n0.150852 0.842856 0.638068 Br\n0.650851 0.342856 0.861933 Br\n0.849148 0.157145 0.361933 Br\n0.072977 0.082583 0.681891 F\n0.427023 0.417417 0.181891 F\n0.536405 0.083304 0.286176 F\n0.963594 0.416697 0.786176 F\n0.463595 0.916697 0.713824 F\n0.036406 0.583304 0.213824 F\n0.377308 0.646954 0.404817 F\n0.122693 0.853047 0.904817 F\n0.622693 0.353047 0.595183 F\n0.744017 0.042599 0.903396 F\n0.755982 0.457402 0.403396 F\n0.572978 0.582584 0.818109 F\n0.244018 0.542599 0.596604 F\n0.255983 0.957402 0.096604 F\n0.230883 0.226333 0.459494 F\n0.269118 0.273667 0.959494 F\n0.769118 0.773667 0.540506 F\n0.730883 0.726334 0.040506 F\n0.877307 0.146954 0.095183 F\n0.927023 0.917418 0.318109 F\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ge",
"Br",
"F"
],
"chemical_system": "Br-F-Ge",
"density": 3.616466702449713,
"density_atomic": 0.06702269444991091,
"volume": 387.92830120297504,
"volume_molar": 8.985226287046126,
"formula_full": "Ge2 Br4 F20",
"formula_reduced": "Ge(BrF5)2",
"formula_anonymous": "AB2C10",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-12544",
"created_at": "2022-09-04T14:38:35.723428Z",
"updated_at": "2022-09-04T14:38:35.723447Z",
"structure_string": "K2 Br2 F8\n1.0\n5.540860 -0.000000 -2.691991\n-1.307886 5.384289 -2.691991\n0.015022 0.019108 7.079225\nK Br F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 K\n0.749999 0.750000 0.500000 K\n-0.000000 0.500000 -0.000000 Br\n0.500000 0.000000 0.000000 Br\n0.965160 0.465160 0.246044 F\n0.719116 0.219116 0.753956 F\n0.034839 0.534840 0.753956 F\n0.219116 0.034840 0.753956 F\n0.280883 0.780884 0.246044 F\n0.465160 0.280884 0.246044 F\n0.780883 0.965161 0.246044 F\n0.534839 0.719116 0.753956 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Br",
"F"
],
"chemical_system": "Br-F-K",
"density": 3.058037200884255,
"density_atomic": 0.05666558918584329,
"volume": 211.76873253085225,
"volume_molar": 10.627509298896529,
"formula_full": "K2 Br2 F8",
"formula_reduced": "KBrF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-34609",
"created_at": "2022-09-04T14:37:12.525547Z",
"updated_at": "2022-09-04T14:37:12.525567Z",
"structure_string": "K2 Br2 F8\n1.0\n-5.671237 -0.022077 -0.020488\n0.026467 -6.549318 0.146677\n2.801876 3.040331 5.767757\nK Br F\n2 2 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.665160 0.249981 0.499942 Br\n0.334840 0.750020 0.500059 Br\n0.506088 0.953650 0.246214 F\n0.211036 0.688649 0.733469 F\n0.240392 0.453722 0.246339 F\n0.977788 0.811326 0.266568 F\n0.759607 0.546279 0.753662 F\n0.493912 0.046351 0.753787 F\n0.788964 0.311352 0.266532 F\n0.022212 0.188675 0.733432 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Br",
"F"
],
"chemical_system": "Br-F-K",
"density": 2.992922483218044,
"density_atomic": 0.05545901006373228,
"volume": 216.37602233090462,
"volume_molar": 10.858723863046757,
"formula_full": "K2 Br2 F8",
"formula_reduced": "KBrF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0586649999999998,
"spacegroup": 15
}
]
}