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=energy_above_hull&page=414",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=412",
"results": [
{
"id": "jvasp-99388",
"created_at": "2022-09-04T14:36:32.078122Z",
"updated_at": "2022-09-04T14:36:32.078142Z",
"structure_string": "Mg5 Ag1\n1.0\n4.772356 -0.002742 3.387771\n1.748207 4.440626 3.387771\n-0.004028 -0.002742 5.852552\nMg Ag\n5 1\ndirect\n0.657876 0.342125 -0.000001 Mg\n-0.000000 0.657876 0.342124 Mg\n0.342125 0.000000 0.657875 Mg\n0.165175 0.165175 0.165174 Mg\n0.834826 0.834827 0.834824 Mg\n0.500000 0.500001 0.499999 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ag"
],
"chemical_system": "Ag-Mg",
"density": 3.0683055307399196,
"density_atomic": 0.048330380692682674,
"volume": 124.1455149743609,
"volume_molar": 12.460362764971485,
"formula_full": "Mg5 Ag1",
"formula_reduced": "Mg5Ag",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0007683333333333,
"spacegroup": 155
},
{
"id": "jvasp-96516",
"created_at": "2022-09-04T14:36:09.194072Z",
"updated_at": "2022-09-04T14:36:09.194100Z",
"structure_string": "Zn14 S14\n1.0\n3.839270 -0.000000 -0.000000\n-1.919635 3.324905 0.000000\n-0.000000 -0.000000 44.011033\nZn S\n14 14\ndirect\n0.666667 0.333333 0.142842 Zn\n0.333333 0.666668 0.499799 Zn\n0.333333 0.666668 0.285597 Zn\n0.666667 0.333333 0.928732 Zn\n0.666667 0.333333 0.428370 Zn\n0.000000 0.000000 0.000219 Zn\n0.000000 0.000000 0.357081 Zn\n0.000000 0.000000 0.857295 Zn\n0.666667 0.333333 0.714544 Zn\n0.000000 0.000000 0.214159 Zn\n0.666667 0.333333 0.571395 Zn\n0.333333 0.666668 0.071520 Zn\n0.333333 0.666668 0.786004 Zn\n0.333333 0.666668 0.642966 Zn\n0.666667 0.333333 0.624936 S\n0.666667 0.333333 0.481823 S\n0.000000 0.000000 0.053661 S\n0.000000 0.000000 0.410520 S\n0.333333 0.666668 0.553363 S\n0.000000 0.000000 0.267614 S\n0.333333 0.666668 0.696509 S\n0.666667 0.333333 0.768096 S\n0.333333 0.666668 0.339169 S\n0.666667 0.333333 0.196304 S\n0.666667 0.333333 0.982304 S\n0.333333 0.666668 0.839445 S\n0.000000 0.000000 0.910749 S\n0.333333 0.666668 0.124983 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 4.033448006284662,
"density_atomic": 0.04983891427535896,
"volume": 561.8099913914774,
"volume_molar": 12.083210173335234,
"formula_full": "Zn14 S14",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.00077,
"spacegroup": 156
},
{
"id": "jvasp-34638",
"created_at": "2022-09-04T14:36:46.663241Z",
"updated_at": "2022-09-04T14:36:46.663267Z",
"structure_string": "Zn14 S14\n1.0\n1.919642 -3.324917 -0.000000\n1.919642 3.324917 0.000000\n0.000000 -0.000000 44.010072\nZn S\n14 14\ndirect\n0.666667 0.333332 0.857019 Zn\n0.000000 0.000000 0.428850 Zn\n0.333332 0.666667 0.500160 Zn\n0.333332 0.666667 0.714265 Zn\n0.666667 0.333332 0.071092 Zn\n0.666667 0.333332 0.571478 Zn\n0.000000 0.000000 0.999631 Zn\n0.000000 0.000000 0.142673 Zn\n0.666667 0.333332 0.357421 Zn\n0.000000 0.000000 0.285825 Zn\n0.666667 0.333332 0.214249 Zn\n0.333332 0.666667 0.928336 Zn\n0.000000 0.000000 0.785705 Zn\n0.000000 0.000000 0.642776 Zn\n0.666667 0.333332 0.518017 S\n0.000000 0.000000 0.946189 S\n0.666667 0.333332 0.160704 S\n0.333332 0.666667 0.446701 S\n0.000000 0.000000 0.732249 S\n0.000000 0.000000 0.089128 S\n0.333332 0.666667 0.660690 S\n0.666667 0.333332 0.303857 S\n0.666667 0.333332 0.803558 S\n0.666667 0.333332 0.017541 S\n0.000000 0.000000 0.232281 S\n0.000000 0.000000 0.375397 S\n0.000000 0.000000 0.589333 S\n0.333332 0.666667 0.874876 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 4.033506814519161,
"density_atomic": 0.0498396409336804,
"volume": 561.8018002428723,
"volume_molar": 12.083034001014212,
"formula_full": "Zn14 S14",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0007749999999999,
"spacegroup": 156
},
{
"id": "jvasp-92892",
"created_at": "2022-09-04T14:35:46.009360Z",
"updated_at": "2022-09-04T14:35:46.009389Z",
"structure_string": "Mg6 Cr1 Ga1\n1.0\n6.180791 0.007951 0.000000\n-3.083509 5.340794 0.000000\n0.000000 0.000000 4.936702\nMg Cr Ga\n6 1 1\ndirect\n0.666687 0.331865 0.250000 Mg\n0.666687 0.834820 0.250000 Mg\n0.328010 0.168100 0.750000 Mg\n0.328010 0.659911 0.750000 Mg\n0.841915 0.170958 0.750000 Mg\n0.837507 0.668754 0.750000 Mg\n0.164786 0.332393 0.250000 Cr\n0.166397 0.833197 0.250000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Ga"
],
"chemical_system": "Cr-Ga-Mg",
"density": 2.724227424817672,
"density_atomic": 0.04905471487715351,
"volume": 163.0832025022304,
"volume_molar": 12.276375013250195,
"formula_full": "Mg6 Cr1 Ga1",
"formula_reduced": "Mg6CrGa",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0007762499999999,
"spacegroup": 38
},
{
"id": "jvasp-10129",
"created_at": "2022-09-04T14:38:11.412309Z",
"updated_at": "2022-09-04T14:38:11.412334Z",
"structure_string": "Sn4 F8\n1.0\n5.081996 -0.000000 0.000000\n-0.000000 5.081996 -0.000000\n0.000000 -0.000000 8.244906\nSn F\n4 8\ndirect\n0.021137 0.021137 0.500000 Sn\n0.478863 0.521138 0.750000 Sn\n0.521138 0.478863 0.250000 Sn\n0.978864 0.978864 0.000000 Sn\n0.749915 0.862730 0.324167 F\n0.250085 0.137271 0.824168 F\n0.862730 0.749915 0.675833 F\n0.362729 0.750086 0.074167 F\n0.137271 0.250085 0.175833 F\n0.249915 0.637272 0.425833 F\n0.750086 0.362729 0.925833 F\n0.637272 0.249915 0.574167 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sn",
"F"
],
"chemical_system": "F-Sn",
"density": 4.888128367371162,
"density_atomic": 0.056354279244818284,
"volume": 212.93857646317758,
"volume_molar": 10.686217339127321,
"formula_full": "Sn4 F8",
"formula_reduced": "SnF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0007766666666666,
"spacegroup": 92
},
{
"id": "jvasp-29979",
"created_at": "2022-09-04T14:38:08.314479Z",
"updated_at": "2022-09-04T14:38:08.314490Z",
"structure_string": "Nd1 Pb6 F15\n1.0\n3.598569 0.000355 2.075319\n1.199857 3.392645 2.075319\n-0.247899 -0.175291 29.532462\nNd Pb F\n1 6 15\ndirect\n0.052304 0.052305 0.840386 Nd\n0.044235 0.044235 0.986673 Pb\n0.038868 0.038868 0.131709 Pb\n0.037481 0.037481 0.275049 Pb\n0.035621 0.035621 0.418688 Pb\n0.032576 0.032576 0.705830 Pb\n0.032812 0.032812 0.562799 Pb\n0.724155 0.724152 0.838140 F\n0.505403 0.505401 0.788975 F\n0.791877 0.791874 0.666118 F\n0.273853 0.273852 0.888287 F\n0.284500 0.284499 0.740759 F\n0.784655 0.784651 0.526282 F\n0.791312 0.791309 0.237699 F\n0.788716 0.788713 0.381640 F\n0.284688 0.284687 0.454810 F\n0.296220 0.296219 0.021539 F\n0.285343 0.285342 0.311676 F\n0.788631 0.788627 0.096107 F\n0.285989 0.285988 0.168643 F\n0.276004 0.276003 0.601448 F\n0.814768 0.814765 0.942171 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nd",
"Pb",
"F"
],
"chemical_system": "F-Nd-Pb",
"density": 7.6471429483765805,
"density_atomic": 0.06057981549499257,
"volume": 363.15726319467717,
"volume_molar": 9.940837077157786,
"formula_full": "Nd1 Pb6 F15",
"formula_reduced": "NdPb6F15",
"formula_anonymous": "AB6C15",
"energy_above_hull": 0.0007842168181818,
"spacegroup": 160
},
{
"id": "jvasp-110864",
"created_at": "2022-09-04T14:38:37.301610Z",
"updated_at": "2022-09-04T14:38:37.301637Z",
"structure_string": "Sr6 Ca2\n1.0\n8.221964 0.000000 0.000000\n-4.110982 7.120429 0.000000\n-0.000000 -0.000000 6.745340\nSr Ca\n6 2\ndirect\n0.168217 0.336435 0.250000 Sr\n0.663565 0.831783 0.250000 Sr\n0.168218 0.831783 0.250000 Sr\n0.831782 0.663565 0.750000 Sr\n0.336435 0.168217 0.750000 Sr\n0.831782 0.168217 0.750000 Sr\n0.333333 0.666667 0.750000 Ca\n0.666666 0.333333 0.250000 Ca\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sr",
"Ca"
],
"chemical_system": "Ca-Sr",
"density": 2.5476940368018046,
"density_atomic": 0.02025836588124983,
"volume": 394.898583967447,
"volume_molar": 29.726685732208065,
"formula_full": "Sr6 Ca2",
"formula_reduced": "Sr3Ca",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0007925,
"spacegroup": 194
},
{
"id": "jvasp-37700",
"created_at": "2022-09-04T14:37:56.169700Z",
"updated_at": "2022-09-04T14:37:56.169718Z",
"structure_string": "Rb3 Cd1\n1.0\n-3.109933 3.109933 5.863392\n3.109933 -3.109933 5.863392\n3.109933 3.109933 -5.863392\nRb Cd\n3 1\ndirect\n0.749999 0.250000 0.499999 Rb\n0.250000 0.749999 0.499999 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Cd"
],
"chemical_system": "Cd-Rb",
"density": 2.6998894375154396,
"density_atomic": 0.017633925611119313,
"volume": 226.83548111815475,
"volume_molar": 34.15087991639625,
"formula_full": "Rb3 Cd1",
"formula_reduced": "Rb3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0007975,
"spacegroup": 139
},
{
"id": "jvasp-87003",
"created_at": "2022-09-04T14:36:05.247614Z",
"updated_at": "2022-09-04T14:36:05.247640Z",
"structure_string": "K1 As1 F6\n1.0\n4.846094 -0.021910 -0.673960\n-0.771188 4.784389 -0.673960\n-0.018747 -0.021910 4.892699\nK As F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.742727 0.079102 0.742728 F\n0.079101 0.742728 0.742728 F\n0.257271 0.257272 0.920898 F\n0.920897 0.257272 0.257272 F\n0.257271 0.920898 0.257272 F\n0.742727 0.742728 0.079102 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"As",
"F"
],
"chemical_system": "As-F-K",
"density": 3.3442919748400084,
"density_atomic": 0.07066275629154874,
"volume": 113.21381191235531,
"volume_molar": 8.522368891404607,
"formula_full": "K1 As1 F6",
"formula_reduced": "KAsF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0008037499999999,
"spacegroup": 166
},
{
"id": "jvasp-39289",
"created_at": "2022-09-04T14:37:55.793013Z",
"updated_at": "2022-09-04T14:37:55.793031Z",
"structure_string": "K3 Sr1\n1.0\n0.000000 5.085174 5.085174\n5.085174 0.000000 5.085174\n5.085174 5.085174 -0.000000\nK Sr\n3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.249999 0.249999 0.249999 K\n0.749999 0.749999 0.749999 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Sr"
],
"chemical_system": "K-Sr",
"density": 1.2938239520407409,
"density_atomic": 0.015209416124530598,
"volume": 262.99497411663134,
"volume_molar": 39.59481883257276,
"formula_full": "K3 Sr1",
"formula_reduced": "K3Sr",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0008274999999999,
"spacegroup": 225
},
{
"id": "jvasp-34339",
"created_at": "2022-09-04T14:37:06.142307Z",
"updated_at": "2022-09-04T14:37:06.142327Z",
"structure_string": "Ba2 Cu1 F6\n1.0\n4.052353 0.034080 -1.021154\n-0.292308 4.041941 -1.021154\n-0.041282 -0.044750 8.386011\nBa Cu F\n2 1 6\ndirect\n0.148267 0.148267 0.296576 Ba\n0.851733 0.851733 0.703425 Ba\n0.499999 0.500000 0.000000 Cu\n0.378598 0.378598 0.757286 F\n0.500000 -0.000000 0.000000 F\n-0.000000 0.500000 0.000000 F\n0.621402 0.621402 0.242715 F\n0.749984 0.250017 0.500000 F\n0.250015 0.749983 0.500000 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"F"
],
"chemical_system": "Ba-Cu-F",
"density": 5.47793026307768,
"density_atomic": 0.06565813682813669,
"volume": 137.07364288386572,
"volume_molar": 9.171964132584575,
"formula_full": "Ba2 Cu1 F6",
"formula_reduced": "Ba2CuF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0008277777777777,
"spacegroup": 139
},
{
"id": "jvasp-8759",
"created_at": "2022-09-04T14:36:33.244421Z",
"updated_at": "2022-09-04T14:36:33.244449Z",
"structure_string": "Cu4 I4\n1.0\n14.290092 0.005089 0.002983\n13.647199 4.238009 0.002983\n13.647199 2.072728 3.696556\nCu I\n4 4\ndirect\n0.270272 0.270272 0.270272 Cu\n0.437431 0.437432 0.437431 Cu\n0.687068 0.687069 0.687068 Cu\n0.853973 0.853975 0.853973 Cu\n0.208256 0.208257 0.208256 I\n0.375103 0.375104 0.375103 I\n0.624873 0.624874 0.624873 I\n0.791823 0.791824 0.791823 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 5.661582038673415,
"density_atomic": 0.03580442093207911,
"volume": 223.43609508937396,
"volume_molar": 16.819545193661934,
"formula_full": "Cu4 I4",
"formula_reduced": "CuI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0008299999999999,
"spacegroup": 160
}
]
}