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=157",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density&page=155",
"results": [
{
"id": "jvasp-38204",
"created_at": "2022-09-04T14:38:14.478641Z",
"updated_at": "2022-09-04T14:38:14.478659Z",
"structure_string": "Rb3 Sr1\n1.0\n6.721204 -0.000000 -0.000000\n-0.000000 6.721204 0.000000\n-0.000000 0.000000 6.721204\nRb Sr\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Sr"
],
"chemical_system": "Rb-Sr",
"density": 1.88146372573024,
"density_atomic": 0.013174033388539381,
"volume": 303.62758936680393,
"volume_molar": 45.71220204465932,
"formula_full": "Rb3 Sr1",
"formula_reduced": "Rb3Sr",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-87994",
"created_at": "2022-09-04T14:35:43.231446Z",
"updated_at": "2022-09-04T14:35:43.231470Z",
"structure_string": "Li4 B4 S10\n1.0\n5.888942 -0.000000 -2.388021\n-0.000000 6.790204 -0.000000\n0.065839 -0.000000 8.617538\nLi B S\n4 4 10\ndirect\n0.770254 0.000000 0.540507 Li\n0.229746 0.500000 0.459493 Li\n0.229746 0.000000 0.459493 Li\n0.770254 0.500000 0.540507 Li\n0.552479 0.750000 0.826489 B\n0.725989 0.750000 0.173511 B\n0.447520 0.250000 0.173511 B\n0.274010 0.250000 0.826489 B\n0.705770 0.250000 0.131125 S\n0.574645 0.250000 0.868876 S\n0.294230 0.750000 0.868876 S\n0.425354 0.750000 0.131125 S\n0.919545 0.750000 0.388373 S\n0.468827 0.250000 0.388373 S\n0.531173 0.750000 0.611627 S\n0.822157 0.750000 -0.000000 S\n0.080455 0.250000 0.611627 S\n0.177842 0.250000 -0.000000 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"B",
"S"
],
"chemical_system": "B-Li-S",
"density": 1.881522293270617,
"density_atomic": 0.05207457979850995,
"volume": 345.65809401912924,
"volume_molar": 11.564453872313948,
"formula_full": "Li4 B4 S10",
"formula_reduced": "Li2B2S5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 2.515478351851852,
"spacegroup": 63
},
{
"id": "jvasp-91868",
"created_at": "2022-09-04T14:35:57.444606Z",
"updated_at": "2022-09-04T14:35:57.444633Z",
"structure_string": "Mg7 B1\n1.0\n6.149992 -0.000000 0.000000\n-3.074995 5.326048 -0.000000\n0.000000 0.000000 4.872530\nMg B\n7 1\ndirect\n0.165792 0.832896 0.250000 Mg\n0.667104 0.334208 0.250000 Mg\n0.667104 0.832896 0.250000 Mg\n0.325919 0.174081 0.750000 Mg\n0.325919 0.651840 0.750000 Mg\n0.848160 0.174081 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"B"
],
"chemical_system": "B-Mg",
"density": 1.882625495313831,
"density_atomic": 0.05012516766355747,
"volume": 159.60046365722673,
"volume_molar": 12.014205718813546,
"formula_full": "Mg7 B1",
"formula_reduced": "Mg7B",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-94760",
"created_at": "2022-09-04T14:36:09.871320Z",
"updated_at": "2022-09-04T14:36:09.871340Z",
"structure_string": "Rb1 Ca1 Mg6\n1.0\n6.987372 0.211007 0.000000\n-3.310949 6.156745 0.000000\n0.000000 0.000000 5.474645\nRb Ca Mg\n1 1 6\ndirect\n0.367616 0.132384 0.750001 Rb\n0.164869 0.335130 0.250000 Ca\n0.117861 0.793313 0.250000 Mg\n0.706686 0.382139 0.250000 Mg\n0.644050 0.855950 0.250000 Mg\n0.313739 0.629586 0.750001 Mg\n0.870413 0.186261 0.750001 Mg\n0.814763 0.685236 0.750001 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Rb",
"density": 1.8827946772816673,
"density_atomic": 0.03342510149449524,
"volume": 239.3410832669428,
"volume_molar": 18.016821163555125,
"formula_full": "Rb1 Ca1 Mg6",
"formula_reduced": "RbCaMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-117970",
"created_at": "2022-09-04T14:38:49.198922Z",
"updated_at": "2022-09-04T14:38:49.198947Z",
"structure_string": "Ca3 C1\n1.0\n3.713701 -0.603095 0.608089\n-0.791062 -5.066492 -0.193146\n-0.475778 2.908732 -6.088443\nCa C\n3 1\ndirect\n0.115892 0.103693 0.062150 Ca\n0.478058 0.465178 0.785259 Ca\n0.753768 0.742216 0.339065 Ca\n0.115919 0.603688 0.062170 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 1.8828983541941504,
"density_atomic": 0.03429726538650865,
"volume": 116.62737407552792,
"volume_molar": 17.558661578800102,
"formula_full": "Ca3 C1",
"formula_reduced": "Ca3C",
"formula_anonymous": "AB3",
"energy_above_hull": 1.205567815,
"spacegroup": 71
},
{
"id": "jvasp-51376",
"created_at": "2022-09-04T14:37:04.729358Z",
"updated_at": "2022-09-04T14:37:04.729386Z",
"structure_string": "Ba1 Li1 H3\n1.0\n5.064302 -0.000000 -0.000000\n-0.000000 5.064302 -0.000000\n0.000000 -0.000000 5.064302\nBa Li H\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Li",
"H"
],
"chemical_system": "Ba-H-Li",
"density": 1.883080723586035,
"density_atomic": 0.03849561090288883,
"volume": 129.88493708057467,
"volume_molar": 15.643707474059282,
"formula_full": "Ba1 Li1 H3",
"formula_reduced": "BaLiH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.747757194,
"spacegroup": 221
},
{
"id": "jvasp-115902",
"created_at": "2022-09-04T14:38:39.862893Z",
"updated_at": "2022-09-04T14:38:39.862909Z",
"structure_string": "P1 Cl2\n1.0\n6.680391 0.000000 0.000000\n0.000000 4.216912 0.000000\n0.000000 0.000000 3.188105\nP Cl\n1 2\ndirect\n0.000000 0.297360 0.000000 P\n0.243808 -0.004680 0.000000 Cl\n0.756192 -0.004680 0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 1.8836837117019014,
"density_atomic": 0.03340351873743567,
"volume": 89.81089757582542,
"volume_molar": 18.02846223278545,
"formula_full": "P1 Cl2",
"formula_reduced": "PCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8145312116666666,
"spacegroup": 25
},
{
"id": "jvasp-120830",
"created_at": "2022-09-04T14:38:54.154130Z",
"updated_at": "2022-09-04T14:38:54.154150Z",
"structure_string": "Mg1 B1 H3\n1.0\n3.227511 0.000000 0.000000\n0.000000 3.227511 0.000000\n0.000000 0.000000 3.227511\nMg B H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 B\n0.499999 0.499999 0.000000 H\n0.499999 0.000000 0.499999 H\n0.000000 0.499999 0.499999 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"B",
"H"
],
"chemical_system": "B-H-Mg",
"density": 1.88375554291455,
"density_atomic": 0.1487191213904781,
"volume": 33.62042455100283,
"volume_molar": 4.049338581141976,
"formula_full": "Mg1 B1 H3",
"formula_reduced": "MgBH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.531042326666667,
"spacegroup": 221
},
{
"id": "jvasp-31808",
"created_at": "2022-09-04T14:37:40.753426Z",
"updated_at": "2022-09-04T14:37:40.753449Z",
"structure_string": "Cr1 H8 C4 S4 N6\n1.0\n3.859152 -0.032766 -0.680969\n-1.828130 7.203188 -0.285855\n0.018655 0.044917 10.173885\nCr H C S N\n1 8 4 4 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.352813 0.495798 0.696929 H\n0.647185 0.504202 0.303071 H\n0.411694 0.533050 0.870717 H\n0.324827 0.915446 0.286356 H\n0.481345 0.226563 0.604137 H\n0.518653 0.773437 0.395862 H\n0.675171 0.084554 0.713644 H\n0.588305 0.466951 0.129283 H\n0.959159 0.824128 0.709590 C\n0.040839 0.175872 0.290410 C\n0.440979 0.696694 0.194162 C\n0.559019 0.303307 0.805838 C\n-0.000775 0.281461 0.425379 S\n0.316497 0.753322 0.032632 S\n0.683501 0.246679 0.967367 S\n0.000774 0.718540 0.574621 S\n0.414938 0.798431 0.300620 N\n0.569636 0.546938 0.210581 N\n0.430362 0.453062 0.789418 N\n0.930488 0.902567 0.809580 N\n0.069510 0.097433 0.190420 N\n0.585060 0.201570 0.699380 N\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Cr",
"H",
"C",
"S",
"N"
],
"chemical_system": "C-Cr-H-N-S",
"density": 1.8839754961053068,
"density_atomic": 0.08144378141687132,
"volume": 282.403390410793,
"volume_molar": 7.394230296326216,
"formula_full": "Cr1 H8 C4 S4 N6",
"formula_reduced": "CrH8C4(S2N3)2",
"formula_anonymous": "AB4C4D6E8",
"energy_above_hull": 4.864872039130435,
"spacegroup": 2
},
{
"id": "jvasp-117480",
"created_at": "2022-09-04T14:38:35.316735Z",
"updated_at": "2022-09-04T14:38:35.316765Z",
"structure_string": "B2 H2\n1.0\n2.036805 0.000000 0.000000\n-0.000000 2.036805 -0.000000\n0.000000 0.000000 5.020432\nB H\n2 2\ndirect\n0.000000 -0.000000 0.355735 B\n0.500001 0.500001 0.644265 B\n0.000000 -0.000000 0.810262 H\n0.500001 0.500001 0.189738 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 1.884593231860845,
"density_atomic": 0.19205251437999338,
"volume": 20.82763671651617,
"volume_molar": 3.1356740001251153,
"formula_full": "B2 H2",
"formula_reduced": "BH",
"formula_anonymous": "AB",
"energy_above_hull": 3.014631291666667,
"spacegroup": 129
},
{
"id": "jvasp-112070",
"created_at": "2022-09-04T14:38:44.144056Z",
"updated_at": "2022-09-04T14:38:44.144086Z",
"structure_string": "H2 C5 S1 O3\n1.0\n3.649053 0.039207 0.202724\n0.608091 5.344045 1.549247\n0.060252 0.183098 6.484403\nH C S O\n2 5 1 3\ndirect\n0.266221 0.524796 0.643476 H\n0.270630 0.892660 0.274233 H\n0.140396 0.716525 0.623559 C\n0.141136 0.915711 0.423219 C\n0.962010 0.137614 0.445820 C\n0.961228 0.797882 0.786308 C\n0.038371 0.440672 0.101936 C\n0.790685 0.114642 0.704962 S\n0.876411 0.377251 0.302363 O\n0.874191 0.676767 0.001168 O\n0.278082 0.314798 0.029942 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.8847911468729368,
"density_atomic": 0.08784421807408588,
"volume": 125.22167356220123,
"volume_molar": 6.8554776763122405,
"formula_full": "H2 C5 S1 O3",
"formula_reduced": "H2C5SO3",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 4.860230954545454,
"spacegroup": 1
},
{
"id": "jvasp-50094",
"created_at": "2022-09-04T14:37:10.208002Z",
"updated_at": "2022-09-04T14:37:10.208017Z",
"structure_string": "Li3 Nb1 S4\n1.0\n5.973308 0.000000 -0.000000\n0.000000 5.973308 -0.000000\n0.000000 0.000000 5.973308\nLi Nb S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Nb\n0.221529 0.221529 0.221529 S\n0.221529 0.778471 0.778471 S\n0.778471 0.221529 0.778471 S\n0.778471 0.778471 0.221529 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Nb",
"S"
],
"chemical_system": "Li-Nb-S",
"density": 1.8853877375668229,
"density_atomic": 0.037535764079329674,
"volume": 213.13006931449326,
"volume_molar": 16.043740970005437,
"formula_full": "Li3 Nb1 S4",
"formula_reduced": "Li3NbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.055374925,
"spacegroup": 215
}
]
}