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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=558",
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{
"id": "jvasp-118795",
"created_at": "2022-09-04T14:38:29.102165Z",
"updated_at": "2022-09-04T14:38:29.102196Z",
"structure_string": "Na2 Se1\n1.0\n4.342614 -0.332061 -0.029668\n4.028951 -4.358555 -0.803562\n-0.116222 -1.121012 -5.043565\nNa Se\n2 1\ndirect\n0.672709 0.408273 0.303360 Na\n0.917057 0.664309 0.791130 Na\n0.966585 0.114681 0.890418 Se\n",
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{
"id": "jvasp-120361",
"created_at": "2022-09-04T14:38:53.764590Z",
"updated_at": "2022-09-04T14:38:53.764606Z",
"structure_string": "Na2 Se1\n1.0\n4.340548 0.057583 0.370501\n0.101242 -5.158156 -0.315562\n0.388266 -3.289867 -3.967511\nNa Se\n2 1\ndirect\n0.925745 0.307594 0.316356 Na\n0.425165 0.563435 0.572571 Na\n0.925300 0.014012 0.022896 Se\n",
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{
"id": "jvasp-108703",
"created_at": "2022-09-04T14:38:19.060929Z",
"updated_at": "2022-09-04T14:38:19.060945Z",
"structure_string": "Li1 Au1\n1.0\n3.120692 -0.000000 0.000000\n0.000000 3.120692 0.000000\n-0.000000 -0.000000 3.120692\nLi Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Au\n",
"nsites": 2,
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"elements": [
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],
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"density": 11.141142307340584,
"density_atomic": 0.06580778492355256,
"volume": 30.39154109689842,
"volume_molar": 9.151106919942354,
"formula_full": "Li1 Au1",
"formula_reduced": "LiAu",
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"energy_above_hull": 0.0562237849999999,
"spacegroup": 221
},
{
"id": "jvasp-117772",
"created_at": "2022-09-04T14:38:53.986260Z",
"updated_at": "2022-09-04T14:38:53.986285Z",
"structure_string": "Cd1 S1 Br1\n1.0\n5.001663 -0.000000 -0.000000\n-2.500831 4.331567 0.000000\n0.000000 0.000000 3.913254\nCd S Br\n1 1 1\ndirect\n0.333334 0.666667 0.000000 Cd\n0.666667 0.333334 0.000000 S\n0.000000 0.000000 0.000000 Br\n",
"nsites": 3,
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"elements": [
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"S",
"Br"
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"chemical_system": "Br-Cd-S",
"density": 4.3947658412863575,
"density_atomic": 0.03538537103923565,
"volume": 84.78079816299143,
"volume_molar": 17.018730009422793,
"formula_full": "Cd1 S1 Br1",
"formula_reduced": "CdSBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0563612849999998,
"spacegroup": 187
},
{
"id": "jvasp-19718",
"created_at": "2022-09-04T14:38:32.234097Z",
"updated_at": "2022-09-04T14:38:32.234122Z",
"structure_string": "Nd1 Se1\n1.0\n3.660322 0.000000 2.113288\n1.220107 3.450985 2.113288\n0.000000 0.000000 4.226577\nNd Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.499999 0.500001 Se\n",
"nsites": 2,
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"elements": [
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],
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"density": 6.942182558521693,
"density_atomic": 0.037460955155851745,
"volume": 53.38892165667542,
"volume_molar": 16.075780062055593,
"formula_full": "Nd1 Se1",
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"formula_anonymous": "AB",
"energy_above_hull": 0.0565924333333334,
"spacegroup": 225
},
{
"id": "jvasp-53573",
"created_at": "2022-09-04T14:35:48.046567Z",
"updated_at": "2022-09-04T14:35:48.046585Z",
"structure_string": "K1 Bi2 F7\n1.0\n3.779966 0.047399 -0.318572\n1.903806 4.005125 -0.260272\n-0.373051 -0.240483 10.267718\nK Bi F\n1 2 7\ndirect\n0.630017 0.584806 0.679701 K\n0.939512 0.123568 0.980891 Bi\n0.510434 0.180938 0.348973 Bi\n0.295758 0.334618 0.880546 F\n-0.048182 -0.033605 0.770005 F\n0.111505 0.970571 0.243749 F\n0.180532 0.088923 0.509691 F\n0.830651 0.619470 0.365985 F\n0.640250 0.717047 0.987727 F\n0.386194 0.318339 0.137401 F\n",
"nsites": 10,
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"elements": [
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"Bi",
"F"
],
"chemical_system": "Bi-F-K",
"density": 6.36410975750258,
"density_atomic": 0.06495330858742211,
"volume": 153.95674550651682,
"volume_molar": 9.271491923917418,
"formula_full": "K1 Bi2 F7",
"formula_reduced": "KBi2F7",
"formula_anonymous": "AB2C7",
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"spacegroup": 1
},
{
"id": "jvasp-3165",
"created_at": "2022-09-04T14:35:59.032580Z",
"updated_at": "2022-09-04T14:35:59.032606Z",
"structure_string": "K4 Zn1 P2\n1.0\n5.370062 0.021277 7.593705\n2.429261 4.789228 7.593705\n0.034497 0.021277 9.300576\nK Zn P\n4 1 2\ndirect\n0.208425 0.208426 0.208425 K\n0.791574 0.791576 0.791573 K\n0.384729 0.384730 0.384728 K\n0.615271 0.615272 0.615270 K\n0.000000 0.000000 0.000000 Zn\n0.085094 0.085094 0.085094 P\n0.914905 0.914908 0.914905 P\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Zn",
"P"
],
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"density": 1.9881618055155201,
"density_atomic": 0.02953692097838118,
"volume": 236.99152681227258,
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"formula_full": "K4 Zn1 P2",
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"formula_anonymous": "AB2C4",
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"spacegroup": 166
},
{
"id": "jvasp-30189",
"created_at": "2022-09-04T14:38:13.180021Z",
"updated_at": "2022-09-04T14:38:13.180043Z",
"structure_string": "Tm2 Br2 O2\n1.0\n4.104770 0.000000 0.000000\n0.000000 3.765780 0.000000\n0.000000 0.000000 8.919378\nTm Br O\n2 2 2\ndirect\n0.250000 0.250000 0.114441 Tm\n0.750000 0.750000 0.885559 Tm\n0.250000 0.750000 0.344196 Br\n0.750000 0.250000 0.655804 Br\n0.250000 0.750000 0.973451 O\n0.750000 0.250000 0.026549 O\n",
"nsites": 6,
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"elements": [
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"Br",
"O"
],
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"density": 6.37940848045761,
"density_atomic": 0.04351839889522841,
"volume": 137.8727194087527,
"volume_molar": 13.838148720724877,
"formula_full": "Tm2 Br2 O2",
"formula_reduced": "TmBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0566239516666668,
"spacegroup": 59
},
{
"id": "jvasp-116167",
"created_at": "2022-09-04T14:38:41.513619Z",
"updated_at": "2022-09-04T14:38:41.513636Z",
"structure_string": "Hg1 Cl3\n1.0\n5.027757 -0.503968 -0.110066\n0.867301 -6.415749 0.499467\n1.194387 -0.667467 -3.770523\nHg Cl\n1 3\ndirect\n0.062488 0.976559 0.879675 Hg\n0.465134 0.680955 0.138610 Cl\n0.951959 0.694448 0.635694 Cl\n0.078517 0.237784 0.235669 Cl\n",
"nsites": 4,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Hg",
"density": 4.227327125465378,
"density_atomic": 0.03317496912766131,
"volume": 120.57283262593296,
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"formula_full": "Hg1 Cl3",
"formula_reduced": "HgCl3",
"formula_anonymous": "AB3",
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"spacegroup": 1
},
{
"id": "jvasp-1975",
"created_at": "2022-09-04T14:35:52.066994Z",
"updated_at": "2022-09-04T14:35:52.067022Z",
"structure_string": "Ca2 P1 I1\n1.0\n4.120222 0.002008 6.598416\n1.892439 3.659906 6.598416\n0.003297 0.002008 7.779160\nCa P I\n2 1 1\ndirect\n0.769493 0.769496 0.769493 Ca\n0.230506 0.230507 0.230506 Ca\n0.500000 0.500001 0.500000 P\n0.000000 0.000000 0.000000 I\n",
"nsites": 4,
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"elements": [
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"I"
],
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"density": 3.3734859025974573,
"density_atomic": 0.0341389669773853,
"volume": 117.16816160986134,
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"formula_full": "Ca2 P1 I1",
"formula_reduced": "Ca2PI",
"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-99858",
"created_at": "2022-09-04T14:36:31.324868Z",
"updated_at": "2022-09-04T14:36:31.324896Z",
"structure_string": "Yb1 Ag1 Au2\n1.0\n4.182962 0.000000 2.415034\n1.394320 3.943734 2.415034\n0.000000 0.000000 4.830068\nYb Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.499999 0.500000 Ag\n0.250000 0.250000 0.250000 Au\n0.750000 0.749999 0.750000 Au\n",
"nsites": 4,
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"elements": [
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"volume": 79.67916585360491,
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"formula_full": "Yb1 Ag1 Au2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-64859",
"created_at": "2022-09-04T14:35:43.272833Z",
"updated_at": "2022-09-04T14:35:43.272861Z",
"structure_string": "Ba4 Pb1 Br1\n1.0\n-0.000000 5.046313 5.046313\n5.046313 -0.000000 5.046313\n5.046313 5.046313 -0.000000\nBa Pb Br\n4 1 1\ndirect\n0.122584 0.625805 0.625805 Ba\n0.625805 0.625805 0.625805 Ba\n0.625805 0.122584 0.625805 Ba\n0.625805 0.625805 0.122584 Ba\n0.000000 0.000000 0.000000 Pb\n0.250000 0.250000 0.250000 Br\n",
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"volume": 257.0114954920187,
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"formula_full": "Ba4 Pb1 Br1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
}
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}