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=4355",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4353",
"results": [
{
"id": "jvasp-69221",
"created_at": "2022-09-04T14:36:08.113169Z",
"updated_at": "2022-09-04T14:36:08.113209Z",
"structure_string": "Ba1 Hf1 Zr4\n1.0\n0.000000 4.267117 4.267117\n4.267117 -0.000000 4.267117\n4.267117 4.267117 -0.000000\nBa Hf Zr\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Hf\n0.115612 0.628129 0.628129 Zr\n0.628129 0.628129 0.628129 Zr\n0.628129 0.115612 0.628129 Zr\n0.628129 0.628129 0.115612 Zr\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Zr"
],
"chemical_system": "Ba-Hf-Zr",
"density": 7.274103793545901,
"density_atomic": 0.03861158252836808,
"volume": 155.39378619334695,
"volume_molar": 15.596720894761333,
"formula_full": "Ba1 Hf1 Zr4",
"formula_reduced": "BaHfZr4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.247649495,
"spacegroup": 216
},
{
"id": "jvasp-93431",
"created_at": "2022-09-04T14:36:16.189056Z",
"updated_at": "2022-09-04T14:36:16.189073Z",
"structure_string": "U2 Mn4\n1.0\n3.832509 0.000000 2.075163\n1.210142 4.331144 2.341664\n-0.263047 0.096787 5.062419\nU Mn\n2 4\ndirect\n0.134265 0.115734 0.615734 U\n0.865734 0.884265 0.384265 U\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"Mn"
],
"chemical_system": "Mn-U",
"density": 13.471059807020163,
"density_atomic": 0.0699541125068241,
"volume": 85.77051133933968,
"volume_molar": 8.608701539044661,
"formula_full": "U2 Mn4",
"formula_reduced": "UMn2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.24772016091954,
"spacegroup": 74
},
{
"id": "jvasp-111334",
"created_at": "2022-09-04T14:38:48.063498Z",
"updated_at": "2022-09-04T14:38:48.063516Z",
"structure_string": "Ti3 Nb1\n1.0\n2.867977 0.021317 0.000000\n-1.056482 2.666382 0.000000\n-0.000000 -0.000000 8.999084\nTi Nb\n3 1\ndirect\n0.177869 0.822132 -0.000000 Ti\n0.781510 0.218492 0.753483 Ti\n0.781510 0.218492 0.246516 Ti\n0.259117 0.740884 0.500000 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Nb"
],
"chemical_system": "Nb-Ti",
"density": 5.6901055690710916,
"density_atomic": 0.057954414256414025,
"volume": 69.01976409083119,
"volume_molar": 10.391168364424473,
"formula_full": "Ti3 Nb1",
"formula_reduced": "Ti3Nb",
"formula_anonymous": "AB3",
"energy_above_hull": 4.2479711,
"spacegroup": 38
},
{
"id": "jvasp-63006",
"created_at": "2022-09-04T14:36:03.623133Z",
"updated_at": "2022-09-04T14:36:03.623161Z",
"structure_string": "Mg2 B4 C4\n1.0\n2.772350 0.000000 0.000000\n0.000000 4.628948 0.000000\n0.000000 0.000000 7.210764\nMg B C\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.616391 0.770330 B\n0.000000 0.383610 0.229669 B\n0.500000 0.116390 0.729669 B\n0.500000 0.883610 0.270330 B\n0.000000 0.714711 0.278754 C\n0.000000 0.285290 0.721245 C\n0.500000 0.214710 0.221245 C\n0.500000 0.785290 0.778754 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"B",
"C"
],
"chemical_system": "B-C-Mg",
"density": 2.5104133539481484,
"density_atomic": 0.10806582129458236,
"volume": 92.53619581292469,
"volume_molar": 5.572659965803551,
"formula_full": "Mg2 B4 C4",
"formula_reduced": "Mg(BC)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.248056843333334,
"spacegroup": 58
},
{
"id": "jvasp-97932",
"created_at": "2022-09-04T14:36:01.145445Z",
"updated_at": "2022-09-04T14:36:01.145471Z",
"structure_string": "H8 S8 N12 O2\n1.0\n8.497819 3.106999 -2.489593\n-8.497819 3.106999 2.489593\n-0.186416 0.000000 7.022322\nH S N O\n8 8 12 2\ndirect\n0.794436 0.205565 0.084619 H\n0.205565 0.794436 0.915380 H\n0.001417 0.266018 0.255592 H\n0.733982 0.998584 0.255592 H\n0.998583 0.733983 0.744408 H\n0.266018 0.001417 0.744408 H\n0.886121 0.113880 0.060927 H\n0.113879 0.886121 0.939072 H\n0.319884 0.680117 0.460939 S\n0.670367 0.769416 0.708833 S\n0.230585 0.329633 0.708833 S\n0.680116 0.319884 0.539061 S\n0.769415 0.670367 0.291166 S\n0.353013 0.646988 0.868239 S\n0.646988 0.353013 0.131760 S\n0.329633 0.230585 0.291166 S\n0.145506 0.854495 0.838359 N\n0.854494 0.145506 0.161641 N\n0.285671 0.714329 0.656494 N\n0.714329 0.285671 0.343506 N\n0.588705 0.820043 0.491799 N\n0.179958 0.411296 0.491799 N\n0.820043 0.588705 0.508201 N\n0.616600 0.796496 0.891055 N\n0.203505 0.383400 0.891055 N\n0.383400 0.203505 0.108945 N\n0.796496 0.616600 0.108945 N\n0.411295 0.179958 0.508201 N\n0.684163 0.315837 0.974162 O\n0.315837 0.684164 0.025838 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"H",
"S",
"N",
"O"
],
"chemical_system": "H-N-O-S",
"density": 2.097096428216092,
"density_atomic": 0.08153662434361976,
"volume": 367.9328184298017,
"volume_molar": 7.385810742692628,
"formula_full": "H8 S8 N12 O2",
"formula_reduced": "H4S4N6O",
"formula_anonymous": "AB4C4D6",
"energy_above_hull": 4.248311533333333,
"spacegroup": 12
},
{
"id": "jvasp-92715",
"created_at": "2022-09-04T14:36:08.337776Z",
"updated_at": "2022-09-04T14:36:08.337805Z",
"structure_string": "Fe4 C1\n1.0\n0.000000 -0.000000 2.468654\n-3.034971 3.034971 1.234327\n-3.034971 -3.034971 1.234327\nFe C\n4 1\ndirect\n0.236201 0.189673 0.337925 Fe\n0.763800 0.810326 0.662074 Fe\n0.425875 0.337925 0.810326 Fe\n0.574126 0.662074 0.189673 Fe\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Fe",
"C"
],
"chemical_system": "C-Fe",
"density": 8.594865528917245,
"density_atomic": 0.10994378717234468,
"volume": 45.47778577212504,
"volume_molar": 5.477472547457245,
"formula_full": "Fe4 C1",
"formula_reduced": "Fe4C",
"formula_anonymous": "AB4",
"energy_above_hull": 4.2488124,
"spacegroup": 87
},
{
"id": "jvasp-119437",
"created_at": "2022-09-04T14:38:33.391387Z",
"updated_at": "2022-09-04T14:38:33.391417Z",
"structure_string": "Zr14 As8\n1.0\n8.092727 -0.006291 2.096719\n7.244711 3.606445 2.096719\n-0.030336 -0.007121 15.132095\nZr As\n14 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.820242 0.820241 0.544426 Zr\n0.179758 0.179758 0.455574 Zr\n0.997939 0.997938 0.663195 Zr\n0.662010 0.662008 0.033365 Zr\n0.337991 0.337991 0.966636 Zr\n0.793618 0.793617 0.796527 Zr\n0.002061 0.002061 0.336806 Zr\n0.805059 0.805057 0.307216 Zr\n0.194941 0.194942 0.692784 Zr\n0.569811 0.569810 0.833467 Zr\n0.430190 0.430189 0.166534 Zr\n0.500000 0.500000 0.500000 Zr\n0.206383 0.206382 0.203473 Zr\n0.062059 0.062059 0.150417 As\n0.177950 0.177950 0.892122 As\n0.822051 0.822049 0.107879 As\n0.371645 0.371644 0.400940 As\n0.628356 0.628355 0.599061 As\n0.370046 0.370046 0.660626 As\n0.629955 0.629954 0.339375 As\n0.937942 0.937941 0.849584 As\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Zr",
"As"
],
"chemical_system": "As-Zr",
"density": 7.040618277538136,
"density_atomic": 0.04970885694898672,
"volume": 442.5770647387307,
"volume_molar": 12.114824459110311,
"formula_full": "Zr14 As8",
"formula_reduced": "Zr7As4",
"formula_anonymous": "A4B7",
"energy_above_hull": 4.249128954545455,
"spacegroup": 12
},
{
"id": "jvasp-85635",
"created_at": "2022-09-04T14:36:15.073468Z",
"updated_at": "2022-09-04T14:36:15.073494Z",
"structure_string": "Fe13 Co3\n1.0\n5.677656 -0.000003 0.000001\n-0.000003 5.677658 0.000000\n0.000001 0.000000 5.671954\nFe Co\n13 3\ndirect\n0.000000 0.500000 0.500000 Fe\n0.249733 0.750269 0.750479 Fe\n0.750268 0.249732 0.249519 Fe\n0.750268 0.249732 0.750479 Fe\n0.750269 0.750269 0.750479 Fe\n0.500001 0.500000 0.500001 Fe\n0.249732 0.750269 0.249521 Fe\n0.249732 0.249732 0.750479 Fe\n0.249733 0.249733 0.249520 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000001 Fe\n0.750269 0.750269 0.249519 Fe\n0.500000 0.000000 -0.000000 Fe\n0.500001 0.500000 -0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Fe",
"Co"
],
"chemical_system": "Co-Fe",
"density": 8.199025323874151,
"density_atomic": 0.08750824581212875,
"volume": 182.8399124163723,
"volume_molar": 6.881798056984161,
"formula_full": "Fe13 Co3",
"formula_reduced": "Fe13Co3",
"formula_anonymous": "A3B13",
"energy_above_hull": 4.2495221375,
"spacegroup": 123
},
{
"id": "jvasp-35981",
"created_at": "2022-09-04T14:37:18.964037Z",
"updated_at": "2022-09-04T14:37:18.964060Z",
"structure_string": "Ir1 C1\n1.0\n2.208967 2.208967 -0.000000\n2.208967 0.000000 -2.208967\n0.000000 2.208967 -2.208967\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"C"
],
"chemical_system": "C-Ir",
"density": 15.731352562410716,
"density_atomic": 0.09277528906094805,
"volume": 21.557464495595532,
"volume_molar": 6.491104281058935,
"formula_full": "Ir1 C1",
"formula_reduced": "IrC",
"formula_anonymous": "AB",
"energy_above_hull": 4.24963555,
"spacegroup": 225
},
{
"id": "jvasp-78268",
"created_at": "2022-09-04T14:37:08.713567Z",
"updated_at": "2022-09-04T14:37:08.713588Z",
"structure_string": "Ir1 C1\n1.0\n-2.208957 -2.208956 0.000000\n-2.208956 -0.000000 -2.208956\n-0.000000 -2.208956 -2.208956\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"C"
],
"chemical_system": "C-Ir",
"density": 15.731584016286526,
"density_atomic": 0.09277665405484462,
"volume": 21.557147327362188,
"volume_molar": 6.4910087794716445,
"formula_full": "Ir1 C1",
"formula_reduced": "IrC",
"formula_anonymous": "AB",
"energy_above_hull": 4.24964055,
"spacegroup": 225
},
{
"id": "jvasp-78453",
"created_at": "2022-09-04T14:36:31.791304Z",
"updated_at": "2022-09-04T14:36:31.791323Z",
"structure_string": "Ir1 C1\n1.0\n-2.208957 -2.208956 0.000000\n-2.208956 -0.000000 -2.208956\n-0.000000 -2.208956 -2.208956\nIr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500001 0.500001 0.500001 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ir",
"C"
],
"chemical_system": "C-Ir",
"density": 15.731584016286526,
"density_atomic": 0.09277665405484462,
"volume": 21.557147327362188,
"volume_molar": 6.4910087794716445,
"formula_full": "Ir1 C1",
"formula_reduced": "IrC",
"formula_anonymous": "AB",
"energy_above_hull": 4.24964055,
"spacegroup": 225
},
{
"id": "jvasp-36702",
"created_at": "2022-09-04T14:38:09.548260Z",
"updated_at": "2022-09-04T14:38:09.548285Z",
"structure_string": "Ca2 Tc2 N6\n1.0\n1.887934 2.939808 1.032761\n0.009686 -0.021045 -6.383957\n-5.497072 2.938609 1.683992\nCa Tc N\n2 2 6\ndirect\n0.379741 0.759480 0.672958 Ca\n0.620261 0.240521 0.327042 Ca\n0.154269 0.308538 0.848172 Tc\n0.845733 0.691464 0.151828 Tc\n0.156639 0.313276 0.578916 N\n0.679415 0.358829 0.991180 N\n0.998756 0.997510 0.098962 N\n0.843363 0.686725 0.421085 N\n0.001246 0.002492 0.901039 N\n0.320587 0.641173 0.008821 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Tc",
"N"
],
"chemical_system": "Ca-N-Tc",
"density": 4.322315328383124,
"density_atomic": 0.07226503590438785,
"volume": 138.37950642176062,
"volume_molar": 8.333408659711663,
"formula_full": "Ca2 Tc2 N6",
"formula_reduced": "CaTcN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.249884334,
"spacegroup": 12
}
]
}