HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=1555",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=1553",
"results": [
{
"id": "jvasp-54769",
"created_at": "2022-09-04T14:37:02.155278Z",
"updated_at": "2022-09-04T14:37:02.155290Z",
"structure_string": "Mg1 H2 O2\n1.0\n1.693731 -2.933627 -0.000000\n1.693731 2.933627 0.000000\n0.000000 0.000000 4.484293\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.967883 Mg\n0.333333 0.666667 0.021668 H\n0.666667 0.333333 0.423649 H\n0.333333 0.666667 0.800396 O\n0.666667 0.333333 0.205867 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.173156095716218,
"density_atomic": 0.11220099206972418,
"volume": 44.56288583342373,
"volume_molar": 5.367279423213752,
"formula_full": "Mg1 H2 O2",
"formula_reduced": "Mg(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6235172099999997,
"spacegroup": 156
},
{
"id": "jvasp-54768",
"created_at": "2022-09-04T14:37:01.379537Z",
"updated_at": "2022-09-04T14:37:01.379559Z",
"structure_string": "U3 H2 O10\n1.0\n5.486344 -0.036988 -0.008269\n1.642984 5.596369 -0.068298\n2.214730 1.385985 6.825973\nU H O\n3 2 10\ndirect\n0.989929 -0.004406 0.002304 U\n0.543578 0.434577 0.749410 U\n0.434504 0.558668 0.259374 U\n0.897709 0.275184 0.408504 H\n-0.005702 0.660915 0.621964 H\n0.884952 0.076416 0.763152 O\n0.092241 0.914655 0.242659 O\n0.702876 0.315769 0.449620 O\n0.306041 0.638173 0.565658 O\n0.293475 0.676862 0.959395 O\n0.691979 0.317523 0.038654 O\n0.678911 0.769619 0.151559 O\n0.299075 0.216637 0.864967 O\n0.803983 0.643252 0.657574 O\n0.207516 0.351510 0.342527 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"U",
"H",
"O"
],
"chemical_system": "H-O-U",
"density": 6.907670427840592,
"density_atomic": 0.07122324726468439,
"volume": 210.60539326795984,
"volume_molar": 8.455302153832072,
"formula_full": "U3 H2 O10",
"formula_reduced": "U3(HO5)2",
"formula_anonymous": "A2B3C10",
"energy_above_hull": 3.7230708666666663,
"spacegroup": 1
},
{
"id": "jvasp-54767",
"created_at": "2022-09-04T14:36:56.877746Z",
"updated_at": "2022-09-04T14:36:56.877771Z",
"structure_string": "H8 N4 O6\n1.0\n4.895277 0.000000 0.000000\n0.000000 5.447511 0.000000\n0.000000 0.000000 5.561101\nH N O\n8 4 6\ndirect\n0.328433 0.162350 0.000000 H\n0.671568 0.162350 0.000000 H\n0.828433 0.837650 0.500000 H\n0.171568 0.837650 0.500000 H\n0.642137 0.885311 0.000000 H\n0.357863 0.885311 0.000000 H\n0.857864 0.114689 0.500000 H\n0.142137 0.114689 0.500000 H\n0.500000 0.477912 0.500000 N\n0.000000 0.522088 0.000000 N\n0.500000 0.044031 0.000000 N\n0.000000 0.955969 0.500000 N\n0.727166 0.369549 0.500000 O\n0.000000 0.288422 0.000000 O\n0.500000 0.711578 0.500000 O\n0.772835 0.630451 0.000000 O\n0.227165 0.630451 0.000000 O\n0.272835 0.369549 0.500000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.792537433873134,
"density_atomic": 0.12137698209164788,
"volume": 148.29829914875273,
"volume_molar": 4.961517955235429,
"formula_full": "H8 N4 O6",
"formula_reduced": "H4N2O3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.647563,
"spacegroup": 59
},
{
"id": "jvasp-54765",
"created_at": "2022-09-04T14:36:54.277984Z",
"updated_at": "2022-09-04T14:36:54.278017Z",
"structure_string": "Mn2 H2 O4\n1.0\n2.976083 0.000000 0.000000\n0.000000 4.439740 0.000000\n0.000000 0.000000 5.082307\nMn H O\n2 2 4\ndirect\n0.499999 0.226977 0.511257 Mn\n0.000000 0.773023 0.011257 Mn\n0.499999 0.311099 0.029971 H\n0.000000 0.688901 0.529971 H\n0.499999 0.498111 0.148554 O\n0.499999 0.004592 0.864099 O\n0.000000 0.995408 0.364099 O\n0.000000 0.501889 0.648554 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 4.349363569785449,
"density_atomic": 0.11913147387973318,
"volume": 67.15269894231513,
"volume_molar": 5.0550375680565605,
"formula_full": "Mn2 H2 O4",
"formula_reduced": "MnHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5333060603448274,
"spacegroup": 31
},
{
"id": "jvasp-54764",
"created_at": "2022-09-04T14:36:42.289812Z",
"updated_at": "2022-09-04T14:36:42.289835Z",
"structure_string": "U3 H2 O10\n1.0\n5.523002 -0.031438 -0.012961\n1.631762 5.567246 -0.053234\n2.300138 1.405675 6.942210\nU H O\n3 2 10\ndirect\n0.000000 0.000000 0.000000 U\n0.557050 0.437023 0.748753 U\n0.442950 0.562976 0.251247 U\n0.893001 0.302361 0.402189 H\n0.106998 0.697638 0.597812 H\n0.897019 0.076191 0.765707 O\n0.102980 0.923808 0.234293 O\n0.699540 0.327147 0.446833 O\n0.300460 0.672853 0.553168 O\n0.300690 0.682897 0.958827 O\n0.699309 0.317102 0.041174 O\n0.689933 0.769900 0.146154 O\n0.310066 0.230100 0.853847 O\n0.792672 0.635826 0.660228 O\n0.207327 0.364174 0.339773 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"U",
"H",
"O"
],
"chemical_system": "H-O-U",
"density": 6.786427605789513,
"density_atomic": 0.06997314311101653,
"volume": 214.36796080750028,
"volume_molar": 8.606360229446201,
"formula_full": "U3 H2 O10",
"formula_reduced": "U3(HO5)2",
"formula_anonymous": "A2B3C10",
"energy_above_hull": 3.721436866666667,
"spacegroup": 2
},
{
"id": "jvasp-54762",
"created_at": "2022-09-04T14:36:46.461210Z",
"updated_at": "2022-09-04T14:36:46.461231Z",
"structure_string": "Te1 H6 O6\n1.0\n4.971981 -0.327414 0.936109\n-0.338707 4.975711 0.343912\n-1.417997 -2.036956 4.674368\nTe H O\n1 6 6\ndirect\n0.990178 0.990187 0.994252 Te\n0.403441 0.166511 -0.171882 H\n0.817344 0.756721 0.518531 H\n0.764008 0.428216 0.073462 H\n0.576918 0.813806 0.160359 H\n0.162955 0.223603 0.469981 H\n0.216357 0.552168 0.914978 H\n0.207826 0.175231 0.780655 O\n0.807751 0.697892 0.682656 O\n0.716527 0.225168 -0.040520 O\n0.772536 0.805135 0.207858 O\n0.172596 0.282447 0.305870 O\n0.263840 0.755202 0.028991 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 3.026096413828796,
"density_atomic": 0.10316249501976046,
"volume": 126.01478858678136,
"volume_molar": 5.837529190086453,
"formula_full": "Te1 H6 O6",
"formula_reduced": "Te(HO)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.837749135897436,
"spacegroup": 2
},
{
"id": "jvasp-54761",
"created_at": "2022-09-04T14:36:34.689401Z",
"updated_at": "2022-09-04T14:36:34.689417Z",
"structure_string": "Na2 H2 O2\n1.0\n0.000000 3.473132 -0.057981\n3.394006 0.000000 0.000000\n0.000000 -1.534727 -5.052394\nNa H O\n2 2 2\ndirect\n0.832499 0.200890 0.694564 Na\n0.167500 0.700891 0.305436 Na\n0.544843 0.071051 0.075845 H\n0.455156 0.571051 0.924155 H\n0.652259 0.228099 0.236486 O\n0.347739 0.728100 0.763513 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"H",
"O"
],
"chemical_system": "H-Na-O",
"density": 2.2191150858471973,
"density_atomic": 0.10023591945614892,
"volume": 59.85878148825554,
"volume_molar": 6.007966797405952,
"formula_full": "Na2 H2 O2",
"formula_reduced": "NaHO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7895308333333335,
"spacegroup": 4
},
{
"id": "jvasp-54760",
"created_at": "2022-09-04T14:36:31.474701Z",
"updated_at": "2022-09-04T14:36:31.474731Z",
"structure_string": "Li2 H2 O2\n1.0\n3.508603 0.000085 -0.003233\n0.000085 3.508603 0.003233\n-0.008143 0.008143 4.279301\nLi H O\n2 2 2\ndirect\n0.445394 0.554706 0.016349 Li\n0.945292 0.054603 0.016349 Li\n0.946678 0.553319 0.444805 H\n0.443817 0.056182 0.587858 H\n0.946089 0.553908 0.217374 O\n0.444583 0.055416 0.815285 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"H",
"O"
],
"chemical_system": "H-Li-O",
"density": 1.5097837118843966,
"density_atomic": 0.11389678825252815,
"volume": 52.67927298087634,
"volume_molar": 5.287366617088368,
"formula_full": "Li2 H2 O2",
"formula_reduced": "LiHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1310778333333336,
"spacegroup": 129
},
{
"id": "jvasp-5476",
"created_at": "2022-09-04T14:38:05.807344Z",
"updated_at": "2022-09-04T14:38:05.807368Z",
"structure_string": "Hf2 Fe2 Cl12\n1.0\n3.105876 -5.379535 0.000000\n3.105876 5.379535 0.000000\n0.000000 0.000000 11.680777\nHf Fe Cl\n2 2 12\ndirect\n0.333333 0.666668 0.750000 Hf\n0.666668 0.333333 0.250000 Hf\n0.000000 0.000000 0.750000 Fe\n0.000000 0.000000 0.250000 Fe\n0.665241 0.681864 0.870828 Cl\n0.016623 0.334760 0.870828 Cl\n0.318138 0.983378 0.870828 Cl\n0.016623 0.681864 0.629172 Cl\n0.334760 0.016623 0.370828 Cl\n0.681864 0.665241 0.370828 Cl\n0.983378 0.318138 0.370828 Cl\n0.681864 0.016623 0.129172 Cl\n0.983378 0.665241 0.129172 Cl\n0.334760 0.318138 0.129172 Cl\n0.665241 0.983378 0.629172 Cl\n0.318138 0.334760 0.629172 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Fe",
"Cl"
],
"chemical_system": "Cl-Fe-Hf",
"density": 3.8037111357078257,
"density_atomic": 0.04099108405943453,
"volume": 390.32878410341607,
"volume_molar": 14.691343003440139,
"formula_full": "Hf2 Fe2 Cl12",
"formula_reduced": "HfFeCl6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.204489113125,
"spacegroup": 163
},
{
"id": "jvasp-54759",
"created_at": "2022-09-04T14:35:46.992727Z",
"updated_at": "2022-09-04T14:35:46.992747Z",
"structure_string": "Na2 H2 O2\n1.0\n0.000000 3.157760 -0.300580\n4.258518 0.000000 0.000000\n0.000000 -0.449764 -4.600118\nNa H O\n2 2 2\ndirect\n0.072410 0.000000 0.297480 Na\n0.908421 0.500000 0.796752 Na\n0.538197 0.000000 0.798842 H\n0.442737 0.500000 0.295422 H\n0.230598 0.000000 0.797487 O\n0.750336 0.500000 0.296691 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"H",
"O"
],
"chemical_system": "H-Na-O",
"density": 2.1275410780091053,
"density_atomic": 0.09609958379132627,
"volume": 62.435233986326026,
"volume_molar": 6.2665627908198545,
"formula_full": "Na2 H2 O2",
"formula_reduced": "NaHO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7983541666666669,
"spacegroup": 59
},
{
"id": "jvasp-54758",
"created_at": "2022-09-04T14:37:27.659506Z",
"updated_at": "2022-09-04T14:37:27.659534Z",
"structure_string": "Te1 H6 O6\n1.0\n5.308369 -0.040243 0.111075\n-2.470238 4.939631 -0.125047\n-2.472600 -1.651010 4.319922\nTe H O\n1 6 6\ndirect\n0.012944 0.981009 0.026288 Te\n0.118747 0.421143 0.869119 H\n0.625539 0.167950 0.309500 H\n0.007944 0.737145 0.603675 H\n0.614669 0.540599 0.067189 H\n0.516813 0.927153 0.570383 H\n0.173538 0.419644 0.396902 H\n0.198970 0.288164 0.873678 O\n0.475605 0.149025 0.383933 O\n0.098263 0.746033 0.820494 O\n0.862741 0.704559 0.209926 O\n0.554037 0.784125 0.662816 O\n0.948736 0.237726 0.234024 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 3.358395310401941,
"density_atomic": 0.11449087937200417,
"volume": 113.54616255291702,
"volume_molar": 5.259930566550056,
"formula_full": "Te1 H6 O6",
"formula_reduced": "Te(HO)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.8375875974358973,
"spacegroup": 1
},
{
"id": "jvasp-54757",
"created_at": "2022-09-04T14:38:14.565365Z",
"updated_at": "2022-09-04T14:38:14.565386Z",
"structure_string": "Ba2 H8 O12\n1.0\n5.425253 -0.214452 0.121401\n1.922151 5.424891 0.129660\n0.445585 0.679576 7.830157\nBa H O\n2 8 12\ndirect\n0.837667 0.178822 0.228658 Ba\n0.181237 0.799132 0.766286 Ba\n0.362789 0.268102 0.947126 H\n0.221040 0.584997 0.360218 H\n0.742591 0.719793 0.281978 H\n0.805865 0.566153 0.539902 H\n0.868103 0.360541 0.850092 H\n0.579422 0.450189 0.520918 H\n0.252422 0.331073 0.475995 H\n0.617518 0.689102 0.029834 H\n0.482500 0.586823 0.050385 O\n0.278590 0.497736 0.472293 O\n0.058808 0.319247 0.805415 O\n0.618710 -0.040711 0.672549 O\n0.907710 0.667842 0.212150 O\n0.254931 0.046680 0.440787 O\n0.204460 0.196263 0.961114 O\n0.785999 -0.123024 0.544818 O\n0.828098 0.802493 0.040604 O\n0.770807 0.410754 0.526187 O\n0.426881 0.971287 0.308962 O\n0.572378 0.401798 0.922689 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.3823578752911194,
"density_atomic": 0.09439836385276153,
"volume": 233.0548867808201,
"volume_molar": 6.379496968181646,
"formula_full": "Ba2 H8 O12",
"formula_reduced": "Ba(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.6033151790909086,
"spacegroup": 1
}
]
}