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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=3420",
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"results": [
{
"id": "jvasp-24270",
"created_at": "2022-09-04T14:38:18.232750Z",
"updated_at": "2022-09-04T14:38:18.232764Z",
"structure_string": "Nd6 Si4 S16 Br2\n1.0\n7.720234 0.000000 0.000000\n-3.860117 7.781208 -1.077487\n0.000000 -0.040573 10.936870\nNd Si S Br\n6 4 16 2\ndirect\n0.316867 0.391602 0.183116 Nd\n0.074733 0.391602 0.683116 Nd\n0.925266 0.608399 0.316883 Nd\n0.384802 0.000000 0.750000 Nd\n0.683132 0.608399 0.816883 Nd\n0.615198 0.000000 0.250000 Nd\n0.624578 0.318505 0.527471 Si\n0.306074 0.681496 0.972528 Si\n0.693926 0.318505 0.027471 Si\n0.375422 0.681496 0.472528 Si\n0.743168 0.294427 0.836437 S\n0.256832 0.705573 0.163562 S\n0.855110 0.568766 0.585002 S\n0.104625 0.709941 0.856649 S\n0.405663 0.130982 0.042967 S\n0.713655 0.568765 0.085002 S\n0.144890 0.431235 0.414998 S\n0.551258 0.294427 0.336437 S\n0.274682 0.869019 0.457033 S\n0.448741 0.705574 0.663562 S\n0.286345 0.431235 0.914998 S\n0.725317 0.130982 0.542967 S\n0.605315 0.709941 0.356648 S\n0.594337 0.869019 0.957033 S\n0.895374 0.290060 0.143351 S\n0.394685 0.290060 0.643351 S\n0.990226 0.000000 0.750000 Br\n0.009774 0.000000 0.250000 Br\n",
"nsites": 28,
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"Br"
],
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"density": 4.174020757011332,
"density_atomic": 0.042639357001213976,
"volume": 656.6703151551469,
"volume_molar": 14.1234323956352,
"formula_full": "Nd6 Si4 S16 Br2",
"formula_reduced": "Nd3Si2S8Br",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 15
},
{
"id": "jvasp-81846",
"created_at": "2022-09-04T14:37:12.345252Z",
"updated_at": "2022-09-04T14:37:12.345278Z",
"structure_string": "Li1 Ga1 Hg2\n1.0\n-9.924787 0.000003 -5.730081\n-3.385583 -0.468076 -5.596157\n-4.216137 -2.817241 -4.157594\nLi Ga Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000001 0.000001 Ga\n0.760834 -0.000001 0.000001 Hg\n0.239166 -0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Ga",
"Hg"
],
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"density_atomic": 0.04263857426882214,
"volume": 93.81176712854703,
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"formula_full": "Li1 Ga1 Hg2",
"formula_reduced": "LiGaHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 71
},
{
"id": "jvasp-8520",
"created_at": "2022-09-04T14:37:17.197344Z",
"updated_at": "2022-09-04T14:37:17.197370Z",
"structure_string": "Zn1 In2 S4\n1.0\n1.957728 -3.390883 -0.000000\n1.957728 3.390883 0.000000\n0.000000 0.000000 12.365275\nZn In S\n1 2 4\ndirect\n-0.000000 -0.000000 0.293865 Zn\n0.333334 0.666667 0.605709 In\n0.666667 0.333334 0.930176 In\n0.666667 0.333334 0.250838 S\n0.666667 0.333334 0.730931 S\n-0.000000 -0.000000 0.503097 S\n-0.000000 -0.000000 0.017387 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Zn",
"In",
"S"
],
"chemical_system": "In-S-Zn",
"density": 4.2815750740492335,
"density_atomic": 0.04263822408320164,
"volume": 164.17194079989412,
"volume_molar": 14.123807661990703,
"formula_full": "Zn1 In2 S4",
"formula_reduced": "Zn(InS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7694999957142857,
"spacegroup": 156
},
{
"id": "jvasp-94406",
"created_at": "2022-09-04T14:36:14.553891Z",
"updated_at": "2022-09-04T14:36:14.553917Z",
"structure_string": "Mg5 Sb1\n1.0\n5.558547 -0.000000 0.000000\n-2.779273 4.813843 -0.000000\n-0.000000 0.000000 5.258962\nMg Sb\n5 1\ndirect\n0.000000 0.663317 0.000000 Mg\n0.663317 0.000000 0.000000 Mg\n0.336683 0.336683 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n0.000000 0.000000 0.500000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Sb"
],
"chemical_system": "Mg-Sb",
"density": 2.870854574246107,
"density_atomic": 0.042638116662123506,
"volume": 140.71916092227283,
"volume_molar": 14.123843245050306,
"formula_full": "Mg5 Sb1",
"formula_reduced": "Mg5Sb",
"formula_anonymous": "AB5",
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"spacegroup": 189
},
{
"id": "jvasp-113666",
"created_at": "2022-09-04T14:38:48.556496Z",
"updated_at": "2022-09-04T14:38:48.556520Z",
"structure_string": "Li2 Br1\n1.0\n3.680044 0.196544 -0.039845\n2.003323 -3.079570 -0.287546\n-0.186094 0.544827 -5.951908\nLi Br\n2 1\ndirect\n0.800074 0.560618 0.319563 Li\n0.460623 0.221132 0.780457 Li\n0.130345 0.890872 0.050002 Br\n",
"nsites": 3,
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"elements": [
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],
"chemical_system": "Br-Li",
"density": 2.2133254135920253,
"density_atomic": 0.0426362906817945,
"volume": 70.36259374413605,
"volume_molar": 14.124448125529423,
"formula_full": "Li2 Br1",
"formula_reduced": "Li2Br",
"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-98038",
"created_at": "2022-09-04T14:35:46.956385Z",
"updated_at": "2022-09-04T14:35:46.956412Z",
"structure_string": "La6 Cu2 Sn2 S14\n1.0\n10.339443 -0.000000 -0.000000\n-5.169721 8.954220 0.000000\n-0.000000 -0.000000 6.080064\nLa Cu Sn S\n6 2 2 14\ndirect\n0.222012 0.356714 0.756672 La\n0.865297 0.222012 0.256672 La\n0.356714 0.134703 0.256672 La\n0.643286 0.865297 0.756672 La\n0.134703 0.777988 0.756672 La\n0.777988 0.643286 0.256672 La\n0.000000 0.000000 0.718918 Cu\n0.000000 0.000000 0.218919 Cu\n0.333333 0.666667 0.332212 Sn\n0.666667 0.333333 0.832212 Sn\n0.088581 0.515829 0.499043 S\n0.911419 0.484171 0.999042 S\n0.515829 0.427248 0.999042 S\n0.427248 0.911419 0.499043 S\n0.096790 0.844723 0.231874 S\n0.252067 0.096790 0.731873 S\n0.666667 0.333333 0.441102 S\n0.155277 0.252067 0.231874 S\n0.747933 0.903210 0.231874 S\n0.903210 0.155277 0.731873 S\n0.484171 0.572752 0.499043 S\n0.333333 0.666667 0.941101 S\n0.844723 0.747933 0.731873 S\n0.572752 0.088581 0.999042 S\n",
"nsites": 24,
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"elements": [
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"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-La-S-Sn",
"density": 4.858154900745552,
"density_atomic": 0.0426361701847413,
"volume": 562.9023408061439,
"volume_molar": 14.124488043617044,
"formula_full": "La6 Cu2 Sn2 S14",
"formula_reduced": "La3CuSnS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.7803780958333328,
"spacegroup": 173
},
{
"id": "jvasp-90180",
"created_at": "2022-09-04T14:35:46.314593Z",
"updated_at": "2022-09-04T14:35:46.314613Z",
"structure_string": "Pr3 Hg3 Pd3\n1.0\n0.000000 0.000000 -3.957796\n-3.923780 -6.796186 0.000000\n-3.923965 6.796293 0.000000\nPr Hg Pd\n3 3 3\ndirect\n0.500000 0.601502 -0.000000 Pr\n0.500000 0.398476 0.398484 Pr\n0.500000 0.999993 0.601516 Pr\n0.000000 0.264520 -0.000000 Hg\n0.000000 0.735453 0.735461 Hg\n0.000000 -0.000007 0.264539 Hg\n0.000000 0.333324 0.666667 Pd\n0.000000 0.666657 0.333333 Pd\n0.500000 0.999986 -0.000000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pr",
"Hg",
"Pd"
],
"chemical_system": "Hg-Pd-Pr",
"density": 10.570646877753454,
"density_atomic": 0.0426359109385964,
"volume": 211.08966131770154,
"volume_molar": 14.124573927065843,
"formula_full": "Pr3 Hg3 Pd3",
"formula_reduced": "PrHgPd",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-61342",
"created_at": "2022-09-04T14:35:57.870346Z",
"updated_at": "2022-09-04T14:35:57.870373Z",
"structure_string": "Zn2 Ge2 As4\n1.0\n5.746367 0.000091 -0.000925\n0.000017 5.746367 -0.000886\n-2.872386 -2.872460 5.683341\nZn Ge As\n2 2 4\ndirect\n0.000055 -0.000033 0.000003 Zn\n0.249967 0.750056 0.500002 Zn\n0.500012 0.499967 -0.000001 Ge\n0.749967 0.250012 0.499999 Ge\n0.875530 0.875017 0.249985 As\n0.374425 0.375027 0.250012 As\n0.625029 0.124424 0.750011 As\n0.125012 0.625530 0.749984 As\n",
"nsites": 8,
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"elements": [
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"As"
],
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"density": 5.095510948135339,
"density_atomic": 0.04263524219745649,
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"formula_full": "Zn2 Ge2 As4",
"formula_reduced": "ZnGeAs2",
"formula_anonymous": "ABC2",
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"spacegroup": 122
},
{
"id": "jvasp-18065",
"created_at": "2022-09-04T14:37:27.194735Z",
"updated_at": "2022-09-04T14:37:27.194750Z",
"structure_string": "Pt2 Pb2\n1.0\n1.927353 -3.338273 0.000000\n1.927353 3.338273 -0.000000\n-0.000000 -0.000000 7.290927\nPt Pb\n2 2\ndirect\n0.666666 0.333332 0.750000 Pt\n0.333332 0.666666 0.250000 Pt\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"volume": 93.82009311087249,
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"formula_full": "Pt2 Pb2",
"formula_reduced": "PtPb",
"formula_anonymous": "AB",
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"spacegroup": 194
},
{
"id": "jvasp-5098",
"created_at": "2022-09-04T14:37:00.797523Z",
"updated_at": "2022-09-04T14:37:00.797551Z",
"structure_string": "Pt2 Pb2\n1.0\n1.927353 -3.338273 0.000000\n1.927353 3.338273 0.000000\n0.000000 0.000000 7.290927\nPt Pb\n2 2\ndirect\n0.666666 0.333332 0.750000 Pt\n0.333332 0.666666 0.250000 Pt\n0.000000 0.000000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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],
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"volume": 93.82009311087249,
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"formula_anonymous": "AB",
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"spacegroup": 194
},
{
"id": "jvasp-103382",
"created_at": "2022-09-04T14:36:42.066245Z",
"updated_at": "2022-09-04T14:36:42.066264Z",
"structure_string": "Lu4 Sn2 Au4\n1.0\n8.162410 0.000000 -0.000000\n-0.000000 8.162410 0.000000\n-0.000000 0.000000 3.520468\nLu Sn Au\n4 2 4\ndirect\n0.840080 0.340080 0.500000 Lu\n0.159920 0.659920 0.500000 Lu\n0.340080 0.159920 0.500000 Lu\n0.659920 0.840080 0.500000 Lu\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.632256 0.132256 0.000000 Au\n0.367744 0.867744 0.000000 Au\n0.132256 0.367744 0.000000 Au\n0.867744 0.632256 0.000000 Au\n",
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],
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"density_atomic": 0.04263465838622426,
"volume": 234.55095873903176,
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"formula_full": "Lu4 Sn2 Au4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-93831",
"created_at": "2022-09-04T14:35:43.542039Z",
"updated_at": "2022-09-04T14:35:43.542060Z",
"structure_string": "Sr2 Mn2 Ge2\n1.0\n4.393288 0.000000 0.000000\n0.000000 4.393288 0.000000\n0.000000 0.000000 7.291392\nSr Mn Ge\n2 2 2\ndirect\n0.000000 0.500000 0.330342 Sr\n0.500000 0.000000 0.669658 Sr\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.813306 Ge\n0.500000 0.000000 0.186694 Ge\n",
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}
]
}