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{
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{
"id": "jvasp-18473",
"created_at": "2022-09-04T14:36:37.006551Z",
"updated_at": "2022-09-04T14:36:37.006566Z",
"structure_string": "Tb2 Br2\n1.0\n3.771713 0.023202 9.292370\n1.832836 3.296523 9.292370\n0.039170 0.023202 10.028580\nTb Br\n2 2\ndirect\n0.880526 0.880523 0.880525 Tb\n0.119475 0.119475 0.119475 Tb\n0.612690 0.612688 0.612690 Br\n0.387311 0.387310 0.387311 Br\n",
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{
"id": "jvasp-91878",
"created_at": "2022-09-04T14:36:01.987650Z",
"updated_at": "2022-09-04T14:36:01.987680Z",
"structure_string": "Y1 Mg7\n1.0\n6.618014 -0.000000 0.000000\n-3.309008 5.731367 -0.000000\n-0.000000 -0.000000 5.137178\nY Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Y\n0.173641 0.836820 0.250000 Mg\n0.663180 0.326359 0.250000 Mg\n0.663180 0.836820 0.250000 Mg\n0.335766 0.164234 0.750000 Mg\n0.335766 0.671535 0.750000 Mg\n0.828464 0.164234 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n",
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{
"id": "jvasp-65609",
"created_at": "2022-09-04T14:36:12.802242Z",
"updated_at": "2022-09-04T14:36:12.802265Z",
"structure_string": "Ba2 Zn1 Sn1\n1.0\n-0.000000 4.179464 4.179464\n4.179464 -0.000000 4.179464\n4.179464 4.179464 -0.000000\nBa Zn Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"density": 5.217412641217815,
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"volume": 146.01307996667572,
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"formula_full": "Ba2 Zn1 Sn1",
"formula_reduced": "Ba2ZnSn",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-18841",
"created_at": "2022-09-04T14:35:45.681969Z",
"updated_at": "2022-09-04T14:35:45.681981Z",
"structure_string": "Sr3 In1\n1.0\n5.222009 -0.000000 3.014928\n1.740670 4.923358 3.014928\n0.000000 -0.000000 6.029857\nSr In\n3 1\ndirect\n0.750000 0.750000 0.750001 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "In-Sr",
"density": 4.0454304567054855,
"density_atomic": 0.025802034170367947,
"volume": 155.02653680668925,
"volume_molar": 23.339790654630093,
"formula_full": "Sr3 In1",
"formula_reduced": "Sr3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-91899",
"created_at": "2022-09-04T14:35:46.086517Z",
"updated_at": "2022-09-04T14:35:46.086542Z",
"structure_string": "Mg7 Nb1\n1.0\n6.304156 -0.000000 -0.000000\n-3.152077 5.459559 0.000000\n-0.000000 0.000000 4.960253\nMg Nb\n7 1\ndirect\n0.169785 0.834892 0.250000 Mg\n0.665108 0.330215 0.250000 Mg\n0.665108 0.834892 0.250000 Mg\n0.325403 0.174597 0.750000 Mg\n0.325403 0.650807 0.750000 Mg\n0.849194 0.174597 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Nb\n",
"nsites": 8,
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"elements": [
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"Nb"
],
"chemical_system": "Mg-Nb",
"density": 2.558496505865191,
"density_atomic": 0.04685993085228762,
"volume": 170.72154940257352,
"volume_molar": 12.851365015844896,
"formula_full": "Mg7 Nb1",
"formula_reduced": "Mg7Nb",
"formula_anonymous": "AB7",
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"spacegroup": 187
},
{
"id": "jvasp-92873",
"created_at": "2022-09-04T14:35:43.799390Z",
"updated_at": "2022-09-04T14:35:43.799415Z",
"structure_string": "Ba1 Mg6 Sb1\n1.0\n7.715098 -0.631171 0.000000\n-4.404159 6.365885 0.000000\n0.000000 0.000000 4.903498\nBa Mg Sb\n1 6 1\ndirect\n0.206702 0.293298 0.250000 Ba\n0.158176 0.787062 0.250000 Mg\n0.712937 0.341823 0.250000 Mg\n0.628746 0.871253 0.250000 Mg\n0.303984 0.676558 0.750000 Mg\n0.823442 0.196016 0.750000 Mg\n0.780632 0.719367 0.750000 Mg\n0.385381 0.114619 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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"density": 2.959460851253736,
"density_atomic": 0.035211739346322185,
"volume": 227.1969561434229,
"volume_molar": 17.102650626740495,
"formula_full": "Ba1 Mg6 Sb1",
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"spacegroup": 38
},
{
"id": "jvasp-3135",
"created_at": "2022-09-04T14:36:19.381643Z",
"updated_at": "2022-09-04T14:36:19.381663Z",
"structure_string": "Tb2 S2 F2\n1.0\n3.795492 0.000000 0.000000\n0.000000 3.795492 0.000000\n0.000000 0.000000 6.835687\nTb S F\n2 2 2\ndirect\n0.000000 0.500000 0.772264 Tb\n0.500000 0.000000 0.227736 Tb\n0.500000 0.000000 0.644734 S\n0.000000 0.500000 0.355267 S\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
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"elements": [
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"S",
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],
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"density_atomic": 0.06093024453257165,
"volume": 98.4732630900991,
"volume_molar": 9.883664190418154,
"formula_full": "Tb2 S2 F2",
"formula_reduced": "TbSF",
"formula_anonymous": "ABC",
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"spacegroup": 129
},
{
"id": "jvasp-105885",
"created_at": "2022-09-04T14:35:49.948484Z",
"updated_at": "2022-09-04T14:35:49.948514Z",
"structure_string": "Zn6 Ag2\n1.0\n5.688374 -0.000000 -0.000000\n-2.844187 4.926277 0.000000\n0.000000 0.000000 4.429373\nZn Ag\n6 2\ndirect\n0.164383 0.328768 0.250000 Zn\n0.671232 0.835617 0.250000 Zn\n0.164383 0.835617 0.250000 Zn\n0.835616 0.671233 0.749999 Zn\n0.328767 0.164383 0.749999 Zn\n0.835616 0.164383 0.749999 Zn\n0.333333 0.666667 0.749999 Ag\n0.666666 0.333333 0.250000 Ag\n",
"nsites": 8,
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"elements": [
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"density": 8.136533807879172,
"density_atomic": 0.06445264760046233,
"volume": 124.12213148467487,
"volume_molar": 9.343511840399247,
"formula_full": "Zn6 Ag2",
"formula_reduced": "Zn3Ag",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-108002",
"created_at": "2022-09-04T14:35:46.096797Z",
"updated_at": "2022-09-04T14:35:46.096826Z",
"structure_string": "Yb6 Sn2\n1.0\n6.933880 -0.000000 0.000000\n-3.466940 6.004917 0.000000\n-0.000000 -0.000000 5.496477\nYb Sn\n6 2\ndirect\n0.172867 0.345733 0.250000 Yb\n0.654267 0.827134 0.250000 Yb\n0.172867 0.827134 0.250000 Yb\n0.827134 0.654267 0.750000 Yb\n0.345733 0.172867 0.750000 Yb\n0.827133 0.172867 0.750000 Yb\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333334 0.250000 Sn\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Sn-Yb",
"density": 9.255849620301372,
"density_atomic": 0.034956041130777785,
"volume": 228.85886791557272,
"volume_molar": 17.227753959522836,
"formula_full": "Yb6 Sn2",
"formula_reduced": "Yb3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-102267",
"created_at": "2022-09-04T14:36:30.853018Z",
"updated_at": "2022-09-04T14:36:30.853147Z",
"structure_string": "Rb2 Tl1 Rh1 F6\n1.0\n5.579170 -0.000000 3.221135\n1.859723 5.260092 3.221135\n-0.000000 -0.000000 6.442270\nRb Tl Rh F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 Rh\n0.219826 0.219826 0.780175 F\n0.219825 0.780174 0.780175 F\n0.780174 0.780174 0.219827 F\n0.219825 0.780174 0.219827 F\n0.780174 0.219826 0.780175 F\n0.780174 0.219826 0.219827 F\n",
"nsites": 10,
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"elements": [
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"Tl",
"Rh",
"F"
],
"chemical_system": "F-Rb-Rh-Tl",
"density": 5.201474944387028,
"density_atomic": 0.05289299299847168,
"volume": 189.06095936542948,
"volume_molar": 11.385517095192565,
"formula_full": "Rb2 Tl1 Rh1 F6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-94731",
"created_at": "2022-09-04T14:35:41.445406Z",
"updated_at": "2022-09-04T14:35:41.445427Z",
"structure_string": "Li1 Ca1 Mg6\n1.0\n6.708491 0.147425 0.000000\n-3.226572 5.588586 0.000000\n0.000000 0.000000 5.194372\nLi Ca Mg\n1 1 6\ndirect\n0.182400 0.841200 0.250000 Li\n0.147372 0.323686 0.250000 Ca\n0.650698 0.324785 0.250000 Mg\n0.650698 0.825914 0.250000 Mg\n0.345213 0.167908 0.750000 Mg\n0.345213 0.677307 0.750000 Mg\n0.818230 0.159116 0.750000 Mg\n0.860179 0.680091 0.750000 Mg\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ca-Li-Mg",
"density": 1.6237945877234747,
"density_atomic": 0.040565290257045666,
"volume": 197.2129362148593,
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"formula_full": "Li1 Ca1 Mg6",
"formula_reduced": "LiCaMg6",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-107862",
"created_at": "2022-09-04T14:37:49.447276Z",
"updated_at": "2022-09-04T14:37:49.447296Z",
"structure_string": "Rb2 In1 Sb1 I6\n1.0\n7.561119 -0.000000 4.365414\n2.520373 7.128692 4.365414\n-0.000000 -0.000000 8.730829\nRb In Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.754721 0.245279 0.245279 I\n0.245279 0.245279 0.754721 I\n0.245279 0.754721 0.754721 I\n0.245279 0.754721 0.245279 I\n0.754721 0.245279 0.754721 I\n0.754721 0.754721 0.245279 I\n",
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"density_atomic": 0.0212494940192209,
"volume": 470.5994406716064,
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"formula_full": "Rb2 In1 Sb1 I6",
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"formula_anonymous": "ABC2D6",
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}
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}