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{
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"results": [
{
"id": "jvasp-59241",
"created_at": "2022-09-04T14:38:06.483939Z",
"updated_at": "2022-09-04T14:38:06.483962Z",
"structure_string": "Li4 P20\n1.0\n6.122341 0.000000 0.000000\n0.000000 8.060401 0.000000\n0.000000 0.000000 9.507010\nLi P\n4 20\ndirect\n0.236152 0.626653 0.635729 Li\n0.236152 0.873347 0.135729 Li\n0.736152 0.126653 0.864271 Li\n0.736152 0.373347 0.364271 Li\n0.567192 0.644985 0.446253 P\n0.780371 0.059582 0.393044 P\n0.792788 0.750298 0.606299 P\n0.567192 0.855014 0.946253 P\n0.780371 0.440418 0.893044 P\n0.792788 0.749702 0.106299 P\n0.643191 0.489313 0.111562 P\n0.643191 0.010687 0.611562 P\n0.598306 0.847572 0.290089 P\n0.280371 0.940417 0.606956 P\n0.098306 0.152428 0.709911 P\n0.292788 0.250298 0.893701 P\n0.067192 0.355014 0.553747 P\n0.292788 0.249702 0.393701 P\n0.067192 0.144985 0.053747 P\n0.280371 0.559582 0.106956 P\n0.143191 0.989313 0.388438 P\n0.143191 0.510687 0.888438 P\n0.598306 0.652428 0.790089 P\n0.098306 0.347572 0.209911 P\n",
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"volume": 469.15690657790583,
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{
"id": "jvasp-68600",
"created_at": "2022-09-04T14:36:00.546125Z",
"updated_at": "2022-09-04T14:36:00.546154Z",
"structure_string": "Be2 V1 Si1\n1.0\n2.460874 -0.000000 -0.000000\n-0.000000 2.460874 -0.000000\n0.000000 0.000000 7.645556\nBe V Si\n2 1 1\ndirect\n0.000000 0.000000 0.737250 Be\n0.000000 0.000000 0.262751 Be\n0.499999 0.499999 0.500000 V\n0.499999 0.499999 0.000000 Si\n",
"nsites": 4,
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"elements": [
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"V",
"Si"
],
"chemical_system": "Be-Si-V",
"density": 3.4806704939005804,
"density_atomic": 0.08639172824275491,
"volume": 46.30072903230122,
"volume_molar": 6.9707376880784135,
"formula_full": "Be2 V1 Si1",
"formula_reduced": "Be2VSi",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-64303",
"created_at": "2022-09-04T14:36:19.843970Z",
"updated_at": "2022-09-04T14:36:19.844002Z",
"structure_string": "Be2 Fe1 Ru1\n1.0\n-1.930194 1.930194 2.730006\n1.930194 -1.930194 2.730006\n1.930194 1.930194 -2.730006\nBe Fe Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.250000 0.749999 0.499999 Fe\n0.749999 0.250000 0.499999 Ru\n",
"nsites": 4,
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"elements": [
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"Fe",
"Ru"
],
"chemical_system": "Be-Fe-Ru",
"density": 7.140212307864331,
"density_atomic": 0.09831832608949721,
"volume": 40.68417515935818,
"volume_molar": 6.125145737853761,
"formula_full": "Be2 Fe1 Ru1",
"formula_reduced": "Be2FeRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.85554955,
"spacegroup": 225
},
{
"id": "jvasp-119553",
"created_at": "2022-09-04T14:38:51.306909Z",
"updated_at": "2022-09-04T14:38:51.306933Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n4.790584 -0.131475 -0.290517\n-1.811595 6.407262 -0.310643\n0.034837 -0.003621 8.033863\nLi Mn P O\n2 2 4 14\ndirect\n0.436778 0.522841 0.931233 Li\n0.060875 0.972962 0.441364 Li\n0.508541 0.500922 0.497709 Mn\n0.009818 0.007000 -0.000850 Mn\n0.564798 0.160435 0.763169 P\n0.125446 0.739863 0.695132 P\n0.890853 0.269392 0.300002 P\n0.450120 0.841815 0.230006 P\n0.192662 0.933315 0.201839 O\n0.696248 0.411462 0.316415 O\n0.359710 0.671967 0.352626 O\n0.700852 0.029273 0.338966 O\n0.141664 0.286460 0.434150 O\n0.879218 0.715568 0.557907 O\n0.815656 0.069895 0.803487 O\n0.660505 0.335648 0.645431 O\n0.319459 0.592782 0.687437 O\n0.977862 0.259749 0.119949 O\n0.038148 0.751732 0.874743 O\n0.416251 0.219583 0.912161 O\n0.322717 0.972142 0.648499 O\n0.580733 0.785874 0.073765 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.200053129056637,
"density_atomic": 0.08989091034128717,
"volume": 244.74109691928808,
"volume_molar": 6.699387888203432,
"formula_full": "Li2 Mn2 P4 O14",
"formula_reduced": "LiMnP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.855619340125392,
"spacegroup": 1
},
{
"id": "jvasp-17467",
"created_at": "2022-09-04T14:38:32.095250Z",
"updated_at": "2022-09-04T14:38:32.095265Z",
"structure_string": "Y1 Fe2 O4\n1.0\n3.437440 0.000054 7.778414\n1.642163 3.019817 7.778414\n0.000092 0.000054 8.504100\nY Fe O\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.787480 0.787479 0.787481 Fe\n0.212520 0.212520 0.212520 Fe\n0.873193 0.873192 0.873195 O\n0.126806 0.126806 0.126806 O\n0.708579 0.708578 0.708580 O\n0.291421 0.291420 0.291421 O\n",
"nsites": 7,
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"elements": [
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],
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"density": 4.977395235972661,
"density_atomic": 0.07929977978546919,
"volume": 88.27262848569313,
"volume_molar": 7.594145628514709,
"formula_full": "Y1 Fe2 O4",
"formula_reduced": "Y(FeO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.8558300642857137,
"spacegroup": 166
},
{
"id": "jvasp-99406",
"created_at": "2022-09-04T14:36:34.958679Z",
"updated_at": "2022-09-04T14:36:34.958715Z",
"structure_string": "Hf2 Al3 Ag1\n1.0\n4.599333 -0.012375 2.562719\n1.500061 4.347854 2.562719\n-0.017410 -0.012375 5.265082\nHf Al Ag\n2 3 1\ndirect\n0.622998 0.622996 0.622998 Hf\n0.377003 0.377001 0.377003 Hf\n0.000000 0.500000 0.000000 Al\n0.500000 -0.000001 0.000000 Al\n0.000000 -0.000001 0.500000 Al\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 6,
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"elements": [
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"Al",
"Ag"
],
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"density": 8.576180540937568,
"density_atomic": 0.0567764524450676,
"volume": 105.67761354595244,
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"formula_full": "Hf2 Al3 Ag1",
"formula_reduced": "Hf2Al3Ag",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.855863610000001,
"spacegroup": 166
},
{
"id": "jvasp-29860",
"created_at": "2022-09-04T14:37:13.781057Z",
"updated_at": "2022-09-04T14:37:13.781085Z",
"structure_string": "Mn1 H2 O2\n1.0\n2.919263 -0.165672 -0.102919\n-1.603108 2.776665 0.000000\n-0.111463 -0.064354 4.583715\nMn H O\n1 2 2\ndirect\n-0.000000 0.067498 -0.000000 Mn\n0.625607 0.380144 0.558149 H\n0.374393 0.754536 0.441849 H\n0.674923 0.404932 0.772223 O\n0.325076 0.730007 0.227776 O\n",
"nsites": 5,
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"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 4.115056074804975,
"density_atomic": 0.13929560295276275,
"volume": 35.89488751985643,
"volume_molar": 4.323281304178855,
"formula_full": "Mn1 H2 O2",
"formula_reduced": "Mn(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.8558908482758616,
"spacegroup": 12
},
{
"id": "jvasp-117003",
"created_at": "2022-09-04T14:38:47.741490Z",
"updated_at": "2022-09-04T14:38:47.741513Z",
"structure_string": "Sr1 Pr3 Fe4 O12\n1.0\n7.659663 -0.000000 0.000000\n0.000000 5.474863 0.004945\n-0.000000 -0.011676 5.412356\nSr Pr Fe O\n1 3 4 12\ndirect\n0.500000 0.496058 0.510387 Sr\n0.500000 0.004698 0.015033 Pr\n-0.000000 0.505266 0.485008 Pr\n-0.000000 0.000774 0.985904 Pr\n0.251888 0.498919 -0.000562 Fe\n0.747818 0.000727 0.500409 Fe\n0.748111 0.498919 -0.000562 Fe\n0.252181 0.000727 0.500409 Fe\n0.500000 0.954126 0.492626 O\n0.500000 0.559810 0.001894 O\n0.272163 0.257203 0.257744 O\n0.723176 0.229064 0.770352 O\n0.783937 0.737536 0.737132 O\n0.727837 0.257203 0.257744 O\n0.216063 0.737536 0.737132 O\n0.785208 0.763571 0.236057 O\n-0.000000 0.443922 -0.000697 O\n0.276824 0.229064 0.770352 O\n0.214791 0.763571 0.236057 O\n-0.000000 0.061292 0.507592 O\n",
"nsites": 20,
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"elements": [
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"Fe",
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],
"chemical_system": "Fe-O-Pr-Sr",
"density": 6.7726187819684025,
"density_atomic": 0.08811703513292958,
"volume": 226.97086857074638,
"volume_molar": 6.834252594762473,
"formula_full": "Sr1 Pr3 Fe4 O12",
"formula_reduced": "SrPr3(FeO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.855920493,
"spacegroup": 6
},
{
"id": "jvasp-75700",
"created_at": "2022-09-04T14:35:46.376482Z",
"updated_at": "2022-09-04T14:35:46.376504Z",
"structure_string": "Ga1 As1 Ir2\n1.0\n-0.000000 3.162410 3.162410\n3.162410 -0.000000 3.162410\n3.162410 3.162410 0.000000\nGa As Ir\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ga\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "As-Ga-Ir",
"density": 13.889441200446754,
"density_atomic": 0.06323761347802716,
"volume": 63.253493925571036,
"volume_molar": 9.523036099539844,
"formula_full": "Ga1 As1 Ir2",
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"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-71885",
"created_at": "2022-09-04T14:36:12.516316Z",
"updated_at": "2022-09-04T14:36:12.516330Z",
"structure_string": "Be1 Si1 P2\n1.0\n-1.661525 1.661525 5.454676\n1.661525 -1.661525 5.454676\n1.661525 1.661525 -5.454676\nBe Si P\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Be\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 P\n0.250000 0.749999 0.499999 P\n",
"nsites": 4,
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"elements": [
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"volume": 60.234139582875486,
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"formula_full": "Be1 Si1 P2",
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"spacegroup": 119
},
{
"id": "jvasp-40634",
"created_at": "2022-09-04T14:37:50.594183Z",
"updated_at": "2022-09-04T14:37:50.594202Z",
"structure_string": "Na2 Si4 B2 H4 O14\n1.0\n0.000000 5.211210 0.193688\n6.984128 0.000000 0.000000\n0.000000 -0.456596 -8.895998\nNa Si B H O\n2 4 2 4 14\ndirect\n0.064411 0.421759 0.552965 Na\n0.935588 0.921759 0.447035 Na\n0.189498 0.099865 0.868537 Si\n0.810502 0.599865 0.131463 Si\n0.279112 0.531264 0.937041 Si\n0.720887 0.031264 0.062959 Si\n0.242369 0.802859 0.685042 B\n0.757630 0.302859 0.314958 B\n0.575951 0.668307 0.583456 H\n0.424048 0.168307 0.416544 H\n0.770453 0.684076 0.729896 H\n0.229546 0.184076 0.270104 H\n0.786831 0.503988 0.297003 O\n0.234482 0.160672 0.378259 O\n0.765517 0.660672 0.621741 O\n0.418376 0.034471 -0.003164 O\n0.581624 0.534471 0.003164 O\n0.213168 0.003988 0.702996 O\n0.213485 0.332268 0.842896 O\n0.221860 0.708507 0.824153 O\n0.092173 0.548406 0.074138 O\n0.907826 0.048406 0.925862 O\n0.786514 0.832268 0.157104 O\n0.720554 0.219440 0.443133 O\n0.778139 0.208506 0.175847 O\n0.279445 0.719440 0.556867 O\n",
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"formula_full": "Na2 Si4 B2 H4 O14",
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{
"id": "jvasp-40823",
"created_at": "2022-09-04T14:37:51.285265Z",
"updated_at": "2022-09-04T14:37:51.285292Z",
"structure_string": "V1 Si1 Pt1\n1.0\n3.570129 0.000000 2.061214\n1.190043 3.365949 2.061214\n-0.000000 -0.000000 4.122430\nV Si Pt\n1 1 1\ndirect\n0.500000 0.500000 0.499999 V\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Pt\n",
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}
]
}