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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4340",
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{
"id": "jvasp-42120",
"created_at": "2022-09-04T14:37:35.596932Z",
"updated_at": "2022-09-04T14:37:35.596952Z",
"structure_string": "Pm1 Cd3\n1.0\n0.000000 3.622278 3.622278\n3.622278 0.000000 3.622278\n3.622278 3.622278 -0.000000\nPm Cd\n1 3\ndirect\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Cd\n0.499999 0.499999 0.499999 Cd\n0.250001 0.250001 0.250001 Cd\n",
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{
"id": "jvasp-41339",
"created_at": "2022-09-04T14:37:35.417885Z",
"updated_at": "2022-09-04T14:37:35.417896Z",
"structure_string": "Dy1 Mg1 Zn2\n1.0\n-0.000000 3.398145 3.398145\n3.398145 -0.000000 3.398145\n3.398145 3.398145 0.000000\nDy Mg Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Dy\n0.749999 0.749999 0.749999 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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"spacegroup": 225
},
{
"id": "jvasp-38935",
"created_at": "2022-09-04T14:37:59.730160Z",
"updated_at": "2022-09-04T14:37:59.730180Z",
"structure_string": "Mg2 Zn1 Pt1\n1.0\n0.000000 3.202590 3.202590\n3.202590 0.000000 3.202590\n3.202590 3.202590 0.000000\nMg Zn Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.499999 Mg\n0.750001 0.750001 0.750001 Zn\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
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"Zn",
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],
"chemical_system": "Mg-Pt-Zn",
"density": 7.813008417465576,
"density_atomic": 0.06088719483835792,
"volume": 65.69525843026794,
"volume_molar": 9.890652338291254,
"formula_full": "Mg2 Zn1 Pt1",
"formula_reduced": "Mg2ZnPt",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-35066",
"created_at": "2022-09-04T14:37:35.543150Z",
"updated_at": "2022-09-04T14:37:35.543175Z",
"structure_string": "Ca2 Sn2 Hg2\n1.0\n2.432529 -4.213264 0.000000\n2.432529 4.213264 0.000000\n0.000000 0.000000 7.799463\nCa Sn Hg\n2 2 2\ndirect\n0.000000 0.000000 0.748987 Ca\n0.000000 0.000000 0.248987 Ca\n0.666667 0.333333 0.962039 Sn\n0.333333 0.666667 0.462039 Sn\n0.666667 0.333333 0.563973 Hg\n0.333333 0.666667 0.063973 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Sn",
"Hg"
],
"chemical_system": "Ca-Hg-Sn",
"density": 7.465504879731671,
"density_atomic": 0.03753011139725939,
"volume": 159.87162778414097,
"volume_molar": 16.046157434107066,
"formula_full": "Ca2 Sn2 Hg2",
"formula_reduced": "CaSnHg",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 186
},
{
"id": "jvasp-37832",
"created_at": "2022-09-04T14:37:59.425773Z",
"updated_at": "2022-09-04T14:37:59.425794Z",
"structure_string": "Cd1 Ag2 Au1\n1.0\n0.000000 3.324963 3.324963\n3.324963 0.000000 3.324963\n3.324963 3.324963 -0.000000\nCd Ag Au\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Cd\n0.499999 0.499999 0.499999 Ag\n0.000000 0.000000 0.000000 Ag\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"elements": [
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"Ag",
"Au"
],
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"density": 11.86075193124479,
"density_atomic": 0.0544088498046272,
"volume": 73.51745192856144,
"volume_molar": 11.068311095758261,
"formula_full": "Cd1 Ag2 Au1",
"formula_reduced": "CdAg2Au",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-39027",
"created_at": "2022-09-04T14:37:59.626740Z",
"updated_at": "2022-09-04T14:37:59.626764Z",
"structure_string": "Tm1 Lu1 Hg2\n1.0\n-0.000032 3.633741 3.633664\n3.633779 -0.000010 3.633642\n3.633751 3.633691 0.000018\nTm Lu Hg\n1 1 2\ndirect\n0.749999 0.750000 0.749998 Tm\n0.249999 0.249998 0.250001 Lu\n0.999998 0.000001 0.999997 Hg\n0.499999 0.499999 0.500003 Hg\n",
"nsites": 4,
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"elements": [
"Tm",
"Lu",
"Hg"
],
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"density": 12.893475776208192,
"density_atomic": 0.04168475865164223,
"volume": 95.9583341582431,
"volume_molar": 14.446864884901402,
"formula_full": "Tm1 Lu1 Hg2",
"formula_reduced": "TmLuHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-109242",
"created_at": "2022-09-04T14:37:59.561196Z",
"updated_at": "2022-09-04T14:37:59.561206Z",
"structure_string": "Rb2 Cu1 Sb1 Br6\n1.0\n6.659849 0.000000 3.845066\n2.219950 6.278966 3.845066\n0.000000 -0.000000 7.690131\nRb Cu Sb Br\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 Cu\n0.000000 0.000000 0.000000 Sb\n0.741045 0.258955 0.258956 Br\n0.258955 0.258955 0.741045 Br\n0.258955 0.741045 0.741045 Br\n0.258955 0.741045 0.258956 Br\n0.741045 0.258955 0.741045 Br\n0.741045 0.741045 0.258956 Br\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.031096660208620595,
"volume": 321.5779422263426,
"volume_molar": 19.365876333981827,
"formula_full": "Rb2 Cu1 Sb1 Br6",
"formula_reduced": "Rb2CuSbBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-40886",
"created_at": "2022-09-04T14:37:44.818794Z",
"updated_at": "2022-09-04T14:37:44.818823Z",
"structure_string": "Pm1 Zn2 Au1\n1.0\n0.000000 3.373756 3.373756\n3.373756 -0.000000 3.373756\n3.373756 3.373756 0.000000\nPm Zn Au\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Pm\n0.000000 0.000000 0.000000 Zn\n0.500001 0.500001 0.500001 Zn\n0.249999 0.249999 0.249999 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.22212966063008,
"density_atomic": 0.05208215981732592,
"volume": 76.80173045875374,
"volume_molar": 11.56277078585486,
"formula_full": "Pm1 Zn2 Au1",
"formula_reduced": "PmZn2Au",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-38934",
"created_at": "2022-09-04T14:37:59.645863Z",
"updated_at": "2022-09-04T14:37:59.645885Z",
"structure_string": "Mg2 Zn1 Pd1\n1.0\n-0.000000 3.218911 3.218911\n3.218911 -0.000000 3.218911\n3.218911 3.218911 0.000000\nMg Zn Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.05996572498537202,
"volume": 66.70477178381077,
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"formula_full": "Mg2 Zn1 Pd1",
"formula_reduced": "Mg2ZnPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-37912",
"created_at": "2022-09-04T14:37:59.669336Z",
"updated_at": "2022-09-04T14:37:59.669352Z",
"structure_string": "Ba2 Tl6\n1.0\n3.802894 -6.586806 -0.000000\n3.802894 6.586806 -0.000000\n-0.000000 -0.000000 5.321935\nBa Tl\n2 6\ndirect\n0.333332 0.666667 0.750001 Ba\n0.666667 0.333332 0.250000 Ba\n0.697008 0.848503 0.250000 Tl\n0.151495 0.848504 0.250000 Tl\n0.151496 0.302991 0.250000 Tl\n0.302991 0.151496 0.750001 Tl\n0.848504 0.151495 0.750001 Tl\n0.848503 0.697008 0.750001 Tl\n",
"nsites": 8,
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"elements": [
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],
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"density": 9.348195103057167,
"density_atomic": 0.030005532099393176,
"volume": 266.6175015160551,
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"formula_full": "Ba2 Tl6",
"formula_reduced": "BaTl3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-40515",
"created_at": "2022-09-04T14:37:44.688052Z",
"updated_at": "2022-09-04T14:37:44.688072Z",
"structure_string": "Rb1 Tl2 Bi1\n1.0\n0.000000 4.107141 4.107141\n4.107141 -0.000000 4.107141\n4.107141 4.107141 0.000000\nRb Tl Bi\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n0.250000 0.250000 0.250000 Bi\n",
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"volume": 138.56349643776727,
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"formula_full": "Rb1 Tl2 Bi1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-38174",
"created_at": "2022-09-04T14:37:45.145386Z",
"updated_at": "2022-09-04T14:37:45.145414Z",
"structure_string": "Rb6 Er2\n1.0\n4.450903 -7.709189 0.000000\n4.450903 7.709189 0.000000\n-0.000000 -0.000000 7.284107\nRb Er\n6 2\ndirect\n0.172673 0.827327 0.750000 Rb\n0.654653 0.827326 0.750000 Rb\n0.172673 0.345346 0.750000 Rb\n0.827327 0.172673 0.250000 Rb\n0.345346 0.172673 0.250000 Rb\n0.827326 0.654653 0.250000 Rb\n0.333333 0.666667 0.250000 Er\n0.666667 0.333333 0.750000 Er\n",
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"volume": 499.87697740803674,
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"formula_full": "Rb6 Er2",
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"formula_anonymous": "AB3",
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}
]
}