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=-density&page=4339",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4337",
"results": [
{
"id": "jvasp-2856",
"created_at": "2022-09-04T14:37:03.499407Z",
"updated_at": "2022-09-04T14:37:03.499437Z",
"structure_string": "Na4 Cd1 P2\n1.0\n4.964716 0.120711 7.565596\n2.350454 4.374739 7.565596\n0.196426 0.120711 9.046992\nNa Cd P\n4 1 2\ndirect\n0.793147 0.793146 0.793146 Na\n0.595270 0.595269 0.595269 Na\n0.206854 0.206853 0.206854 Na\n0.404730 0.404730 0.404730 Na\n0.000000 0.000000 0.000000 Cd\n0.094154 0.094154 0.094154 P\n0.905847 0.905846 0.905846 P\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Na",
"Cd",
"P"
],
"chemical_system": "Cd-Na-P",
"density": 2.3876166796134672,
"density_atomic": 0.0377932009339193,
"volume": 185.2185003392374,
"volume_molar": 15.934455434271362,
"formula_full": "Na4 Cd1 P2",
"formula_reduced": "Na4CdP2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.1403795357142856,
"spacegroup": 166
},
{
"id": "jvasp-61409",
"created_at": "2022-09-04T14:35:47.128856Z",
"updated_at": "2022-09-04T14:35:47.128884Z",
"structure_string": "Li6 Al2 B4 O12\n1.0\n4.905678 -0.002843 -0.022757\n0.041431 6.151065 -0.284205\n0.111201 2.386319 7.515209\nLi Al B O\n6 2 4 12\ndirect\n0.679817 0.394927 0.428058 Li\n0.320183 0.605075 0.571942 Li\n0.175345 0.469663 0.238363 Li\n0.824655 0.530339 0.761636 Li\n0.831676 0.236682 0.111364 Li\n0.168324 0.763320 0.888635 Li\n0.650594 0.051822 0.771599 Al\n0.349406 0.948180 0.228400 Al\n0.659687 0.677320 0.070811 B\n0.340313 0.322681 0.929188 B\n0.164900 0.172555 0.588469 B\n0.835100 0.827446 0.411531 B\n0.310106 0.013055 0.715755 O\n0.775646 0.793134 0.909170 O\n0.224354 0.206868 0.090829 O\n0.880288 0.163623 0.600861 O\n0.119712 0.836379 0.399138 O\n0.294036 0.335013 0.466156 O\n0.705965 0.664989 0.533844 O\n0.792270 0.509311 0.182722 O\n0.207730 0.490690 0.817277 O\n0.388482 0.740058 0.104009 O\n0.611518 0.259944 0.895991 O\n0.689894 -0.013054 0.284245 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-Li-O",
"density": 2.3874377385492096,
"density_atomic": 0.10429619672285018,
"volume": 230.1138560572445,
"volume_molar": 5.774075133346272,
"formula_full": "Li6 Al2 B4 O12",
"formula_reduced": "Li3Al(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.539367413888889,
"spacegroup": 2
},
{
"id": "jvasp-61021",
"created_at": "2022-09-04T14:35:55.898478Z",
"updated_at": "2022-09-04T14:35:55.898502Z",
"structure_string": "Li6 Al2 B4 O12\n1.0\n4.905629 -0.020422 -0.010809\n0.065083 6.157406 -0.085337\n0.100960 2.142724 7.588650\nLi Al B O\n6 2 4 12\ndirect\n0.668359 0.263358 0.388603 Li\n0.331640 0.736643 0.611396 Li\n0.820180 0.105070 0.071932 Li\n0.179819 0.894931 0.928068 Li\n0.675319 0.969654 0.738345 Li\n0.324680 0.030347 0.261655 Li\n0.150633 0.551851 0.271629 Al\n0.849366 0.448149 0.728371 Al\n0.664929 0.672598 0.088471 B\n0.335071 0.327403 0.911528 B\n0.840324 0.822699 0.429192 B\n0.159675 0.177302 0.570807 B\n0.794036 0.835053 0.966151 O\n0.111543 0.759954 0.396011 O\n0.888457 0.240046 0.603988 O\n0.707768 0.990735 0.317288 O\n0.292231 0.009265 0.682712 O\n0.724318 0.706842 0.590806 O\n0.275682 0.293159 0.409194 O\n0.380312 0.663637 0.100875 O\n0.619688 0.336364 0.899125 O\n0.810160 0.513114 0.215759 O\n0.189839 0.486887 0.784240 O\n0.205963 0.164947 0.033849 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-Li-O",
"density": 2.387219794297198,
"density_atomic": 0.10428667573881975,
"volume": 230.13486459292923,
"volume_molar": 5.774602284842334,
"formula_full": "Li6 Al2 B4 O12",
"formula_reduced": "Li3Al(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.5393682472222223,
"spacegroup": 2
},
{
"id": "jvasp-152",
"created_at": "2022-09-04T14:38:09.259287Z",
"updated_at": "2022-09-04T14:38:09.259310Z",
"structure_string": "Si8 P16\n1.0\n3.479872 0.000000 0.000000\n0.000000 9.945997 0.000000\n0.000000 0.000000 14.479183\nSi P\n8 16\ndirect\n0.000000 0.589442 0.852555 Si\n0.000000 0.410559 0.147445 Si\n0.000000 0.089442 0.647445 Si\n0.000000 0.910559 0.352555 Si\n0.500000 0.806640 0.733784 Si\n0.500000 0.193360 0.266216 Si\n0.500000 0.306640 0.766216 Si\n0.500000 0.693360 0.233784 Si\n0.500000 0.047249 0.388408 P\n0.500000 0.952751 0.611592 P\n0.500000 0.610612 0.386886 P\n0.500000 0.389388 0.613114 P\n0.500000 0.110612 0.113114 P\n0.500000 0.889388 0.886886 P\n0.000000 0.728628 0.450663 P\n0.000000 0.834823 0.204387 P\n0.000000 0.228628 0.049337 P\n0.000000 0.771372 0.950663 P\n0.500000 0.452751 0.888408 P\n0.000000 0.165177 0.795613 P\n0.000000 0.334823 0.295613 P\n0.000000 0.665177 0.704387 P\n0.000000 0.271372 0.549337 P\n0.500000 0.547250 0.111592 P\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"P"
],
"chemical_system": "P-Si",
"density": 2.3866309658013756,
"density_atomic": 0.04789118587152256,
"volume": 501.13605589940244,
"volume_molar": 12.574632785572623,
"formula_full": "Si8 P16",
"formula_reduced": "SiP2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.642929866666667,
"spacegroup": 55
},
{
"id": "jvasp-29829",
"created_at": "2022-09-04T14:37:35.860961Z",
"updated_at": "2022-09-04T14:37:35.860970Z",
"structure_string": "Mg1 H2 O2\n1.0\n3.162452 0.000046 -0.004349\n-1.581186 2.738694 0.000000\n0.006023 0.003477 4.684992\nMg H O\n1 2 2\ndirect\n-0.000000 0.061433 -0.000000 Mg\n0.333399 0.728218 0.568612 H\n0.666598 0.394819 0.431388 H\n0.333347 0.728133 0.776482 O\n0.666650 0.394784 0.223517 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.3866198723941237,
"density_atomic": 0.12322221947323356,
"volume": 40.57709738856071,
"volume_molar": 4.88721984212282,
"formula_full": "Mg1 H2 O2",
"formula_reduced": "Mg(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5711732099999995,
"spacegroup": 164
},
{
"id": "jvasp-79183",
"created_at": "2022-09-04T14:37:18.133135Z",
"updated_at": "2022-09-04T14:37:18.133145Z",
"structure_string": "Mg3 Ti1\n1.0\n6.296950 0.133847 0.000000\n-1.516280 2.626274 0.000000\n0.000000 0.000000 5.020074\nMg Ti\n3 1\ndirect\n0.657343 0.657343 0.250000 Mg\n0.328359 0.328359 0.749999 Mg\n0.854248 0.354248 0.749999 Mg\n0.160051 0.660050 0.250000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 2.386567172197314,
"density_atomic": 0.04759730240974359,
"volume": 84.03837607362313,
"volume_molar": 12.652273248929363,
"formula_full": "Mg3 Ti1",
"formula_reduced": "Mg3Ti",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6188333333333333,
"spacegroup": 25
},
{
"id": "jvasp-100440",
"created_at": "2022-09-04T14:36:57.334187Z",
"updated_at": "2022-09-04T14:36:57.334213Z",
"structure_string": "Li1 O8\n1.0\n4.359041 0.016326 2.394594\n1.989566 4.347523 1.408650\n0.041820 -0.027129 4.984089\nLi O\n1 8\ndirect\n0.492841 0.805072 0.805072 Li\n0.837388 0.338713 0.816328 O\n0.155311 0.230367 0.687269 O\n0.155312 0.687269 0.230366 O\n0.837388 0.816329 0.338712 O\n0.833879 0.268330 0.268329 O\n0.158655 0.736194 0.736194 O\n0.148004 0.156505 0.156505 O\n0.839559 0.865957 0.865956 O\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.3863639480816983,
"density_atomic": 0.09585209635674692,
"volume": 93.89466002395366,
"volume_molar": 6.2827428808510435,
"formula_full": "Li1 O8",
"formula_reduced": "LiO8",
"formula_anonymous": "AB8",
"energy_above_hull": 2.587455333333333,
"spacegroup": 8
},
{
"id": "jvasp-4119",
"created_at": "2022-09-04T14:36:48.830480Z",
"updated_at": "2022-09-04T14:36:48.830504Z",
"structure_string": "Mg1 H2 O2\n1.0\n1.581190 -2.738702 0.000000\n1.581190 2.738702 0.000000\n0.000000 0.000000 4.685848\nMg H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.431302 H\n0.333333 0.666667 0.568699 H\n0.666667 0.333333 0.223476 O\n0.333333 0.666667 0.776524 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"H",
"O"
],
"chemical_system": "H-Mg-O",
"density": 2.3862569118165795,
"density_atomic": 0.12320347966114051,
"volume": 40.583269350443885,
"volume_molar": 4.887963210587337,
"formula_full": "Mg1 H2 O2",
"formula_reduced": "Mg(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.5711952099999995,
"spacegroup": 164
},
{
"id": "jvasp-100588",
"created_at": "2022-09-04T14:36:43.067656Z",
"updated_at": "2022-09-04T14:36:43.067681Z",
"structure_string": "K1 Na2 Ti1 F6\n1.0\n5.404325 -0.000000 3.120188\n1.801442 5.095246 3.120188\n0.000000 0.000000 6.240377\nK Na Ti F\n1 2 1 6\ndirect\n0.499999 0.500000 0.500001 K\n0.749999 0.750001 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ti\n0.777252 0.222747 0.222747 F\n0.222746 0.222747 0.777254 F\n0.222746 0.777254 0.777254 F\n0.222746 0.777254 0.222747 F\n0.777252 0.222747 0.777254 F\n0.777252 0.777254 0.222748 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Ti",
"F"
],
"chemical_system": "F-K-Na-Ti",
"density": 2.3862435002451075,
"density_atomic": 0.058194582585869126,
"volume": 171.83730092478078,
"volume_molar": 10.34828413987508,
"formula_full": "K1 Na2 Ti1 F6",
"formula_reduced": "KNa2TiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-34702",
"created_at": "2022-09-04T14:38:14.701297Z",
"updated_at": "2022-09-04T14:38:14.701325Z",
"structure_string": "Si8 O16\n1.0\n4.753683 0.000000 0.000000\n0.000000 8.133819 0.000000\n0.000000 0.000000 8.651944\nSi O\n8 16\ndirect\n0.140782 0.062877 0.159251 Si\n0.140782 0.437123 0.659251 Si\n0.640782 0.562877 0.840748 Si\n0.359218 0.437123 0.159251 Si\n0.859217 0.562877 0.340748 Si\n0.859217 0.937124 0.840748 Si\n0.640782 0.937124 0.340748 Si\n0.359218 0.062877 0.659251 Si\n0.094255 0.943453 0.702681 O\n0.250000 0.250000 0.139383 O\n0.500000 0.500000 0.000000 O\n0.905744 0.443453 0.797318 O\n0.749999 0.750000 0.860617 O\n0.749999 0.750000 0.360617 O\n0.000000 0.500000 0.500000 O\n0.250000 0.250000 0.639383 O\n0.405744 0.943453 0.202681 O\n0.094255 0.556547 0.202681 O\n0.000000 0.000000 0.000000 O\n0.405744 0.556547 0.702681 O\n0.594255 0.443453 0.297318 O\n0.594255 0.056547 0.797318 O\n0.905744 0.056547 0.297318 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.3859518179348274,
"density_atomic": 0.07174189113868455,
"volume": 334.5325808822839,
"volume_molar": 8.394176211996662,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3921918666666668,
"spacegroup": 56
},
{
"id": "jvasp-94749",
"created_at": "2022-09-04T14:36:20.099034Z",
"updated_at": "2022-09-04T14:36:20.099047Z",
"structure_string": "Ba1 Mg6 Al1\n1.0\n6.689723 0.763047 0.000000\n-2.684044 6.174993 0.000000\n0.000000 0.000000 4.978525\nBa Mg Al\n1 6 1\ndirect\n0.382875 0.117126 0.749999 Ba\n0.099881 0.787805 0.250000 Mg\n0.712194 0.400119 0.250000 Mg\n0.631621 0.868379 0.250000 Mg\n0.290115 0.593189 0.749999 Mg\n0.906811 0.209886 0.749999 Mg\n0.807395 0.692605 0.749999 Mg\n0.169107 0.330893 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Al"
],
"chemical_system": "Al-Ba-Mg",
"density": 2.3858573400410155,
"density_atomic": 0.03706206601689699,
"volume": 215.85412956613686,
"volume_molar": 16.248799398431924,
"formula_full": "Ba1 Mg6 Al1",
"formula_reduced": "BaMg6Al",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-13745",
"created_at": "2022-09-04T14:36:31.018295Z",
"updated_at": "2022-09-04T14:36:31.018333Z",
"structure_string": "Ca2 Si2\n1.0\n3.908106 -0.000000 0.000000\n0.000000 4.185835 -1.745501\n-0.000000 -0.032394 5.814029\nCa Si\n2 2\ndirect\n0.250000 0.861161 0.722318 Ca\n0.750001 0.138841 0.277683 Ca\n0.250000 0.570555 0.141108 Si\n0.750001 0.429447 0.858893 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Si"
],
"chemical_system": "Ca-Si",
"density": 2.38569850810394,
"density_atomic": 0.042154561405118154,
"volume": 94.88890090822636,
"volume_molar": 14.285857945775776,
"formula_full": "Ca2 Si2",
"formula_reduced": "CaSi",
"formula_anonymous": "AB",
"energy_above_hull": 0.5951745099999997,
"spacegroup": 63
}
]
}