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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3578",
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{
"id": "jvasp-114628",
"created_at": "2022-09-04T14:38:42.597118Z",
"updated_at": "2022-09-04T14:38:42.597150Z",
"structure_string": "Ba1 Ag2 O2\n1.0\n3.968697 -0.000000 0.000000\n-1.984348 3.436992 0.000000\n0.000000 -0.000000 6.502595\nBa Ag O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.619540 Ag\n0.333333 0.666667 0.380460 Ag\n0.666667 0.333333 0.228478 O\n0.333333 0.666667 0.771522 O\n",
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"density": 7.208863717547239,
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{
"id": "jvasp-116348",
"created_at": "2022-09-04T14:38:42.094292Z",
"updated_at": "2022-09-04T14:38:42.094324Z",
"structure_string": "Ti2 Zn1 N2\n1.0\n3.116180 0.000000 0.000000\n0.000000 3.116180 0.000000\n-0.000000 0.000000 7.628047\nTi Zn N\n2 1 2\ndirect\n0.500000 0.500000 0.187565 Ti\n0.500000 0.500000 0.812435 Ti\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.670332 N\n0.500000 0.000000 0.329668 N\n",
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"elements": [
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"density": 4.240447643680556,
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"volume": 74.07274379758344,
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"formula_full": "Ti2 Zn1 N2",
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{
"id": "jvasp-21451",
"created_at": "2022-09-04T14:38:31.132166Z",
"updated_at": "2022-09-04T14:38:31.132192Z",
"structure_string": "Sr2 B4 Ir4\n1.0\n5.433096 0.006193 -1.492458\n-2.842905 4.629953 -1.492458\n-0.007826 -0.014008 6.188154\nSr B Ir\n2 4 4\ndirect\n0.875000 0.124999 0.249999 Sr\n0.125000 0.874999 0.749999 Sr\n0.549397 0.450602 0.249999 B\n0.799397 0.200602 0.749999 B\n0.200603 0.799396 0.249999 B\n0.450603 0.549396 0.749999 B\n0.506350 0.756349 0.512699 Ir\n0.756350 0.506349 0.012699 Ir\n0.493650 0.243649 0.487299 Ir\n0.243650 0.493649 0.987299 Ir\n",
"nsites": 10,
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"elements": [
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"chemical_system": "B-Ir-Sr",
"density": 10.540606231643231,
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"volume": 155.54480761872148,
"volume_molar": 9.367127259670612,
"formula_full": "Sr2 B4 Ir4",
"formula_reduced": "Sr(BIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.6233727353333336,
"spacegroup": 70
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{
"id": "jvasp-56374",
"created_at": "2022-09-04T14:38:33.406870Z",
"updated_at": "2022-09-04T14:38:33.406896Z",
"structure_string": "Nd1 Ni2 P2\n1.0\n3.706712 -0.000000 -1.425633\n-0.548311 3.665934 -1.425633\n0.007223 0.008384 5.550410\nNd Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.749999 0.249999 0.500000 Ni\n0.249999 0.749999 0.500000 Ni\n0.371486 0.371485 0.742973 P\n0.628513 0.628512 0.257027 P\n",
"nsites": 5,
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"elements": [
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"density": 7.115695644279987,
"density_atomic": 0.06621578529024519,
"volume": 75.51069549478851,
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"formula_full": "Nd1 Ni2 P2",
"formula_reduced": "Nd(NiP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.86098546,
"spacegroup": 139
},
{
"id": "jvasp-114375",
"created_at": "2022-09-04T14:38:41.653688Z",
"updated_at": "2022-09-04T14:38:41.653719Z",
"structure_string": "Y2 S1 O2\n1.0\n3.794302 -0.000000 0.000000\n-1.897151 3.285962 -0.000000\n0.000000 0.000000 6.604872\nY S O\n2 1 2\ndirect\n0.333333 0.666667 0.282132 Y\n0.666666 0.333333 0.717867 Y\n0.000000 0.000000 0.000000 S\n0.333333 0.666667 0.629841 O\n0.666666 0.333333 0.370158 O\n",
"nsites": 5,
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"elements": [
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"S",
"O"
],
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"density": 4.87732999497347,
"density_atomic": 0.060717120528641096,
"volume": 82.3490962098809,
"volume_molar": 9.918356976693705,
"formula_full": "Y2 S1 O2",
"formula_reduced": "Y2SO2",
"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-116228",
"created_at": "2022-09-04T14:38:40.796285Z",
"updated_at": "2022-09-04T14:38:40.796310Z",
"structure_string": "Na2 La1 O2\n1.0\n-1.749712 2.327661 5.505779\n1.749712 -2.327661 5.505779\n1.749712 2.327661 -5.505779\nNa La O\n2 1 2\ndirect\n0.299929 0.799927 0.499999 Na\n0.700070 0.200071 0.499999 Na\n-0.000000 0.499999 0.499999 La\n0.145882 0.145882 0.000000 O\n0.854119 0.854119 0.000000 O\n",
"nsites": 5,
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"elements": [
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"La",
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],
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"density": 4.015236788427166,
"density_atomic": 0.05574487393397454,
"volume": 89.69434581414805,
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"formula_full": "Na2 La1 O2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 71
},
{
"id": "jvasp-17381",
"created_at": "2022-09-04T14:38:30.533661Z",
"updated_at": "2022-09-04T14:38:30.533680Z",
"structure_string": "Ca1 Ge2 Ir2\n1.0\n3.931461 0.000000 -1.466686\n-0.547168 3.893199 -1.466686\n-0.002036 -0.002342 5.997039\nCa Ge Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.375821 0.375823 0.751644 Ge\n0.624177 0.624178 0.248355 Ge\n0.749999 0.250000 0.499999 Ir\n0.249999 0.750000 0.499999 Ir\n",
"nsites": 5,
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"elements": [
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"Ge",
"Ir"
],
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"density": 10.310881808135102,
"density_atomic": 0.05448793737870232,
"volume": 91.76342949539412,
"volume_molar": 11.052245780831983,
"formula_full": "Ca1 Ge2 Ir2",
"formula_reduced": "Ca(GeIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.083446904,
"spacegroup": 139
},
{
"id": "jvasp-56723",
"created_at": "2022-09-04T14:38:33.132187Z",
"updated_at": "2022-09-04T14:38:33.132217Z",
"structure_string": "Nd1 Si2 Ir2\n1.0\n3.870514 0.000000 -1.449477\n-0.542817 3.832262 -1.449477\n-0.007130 -0.008212 5.873386\nNd Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.375801 0.375802 0.751604 Si\n0.624197 0.624198 0.248395 Si\n0.249999 0.750000 0.499999 Ir\n0.749999 0.250000 0.499999 Ir\n",
"nsites": 5,
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"density": 11.159340839246038,
"density_atomic": 0.05745359157692536,
"volume": 87.02676130012577,
"volume_molar": 10.481748128725561,
"formula_full": "Nd1 Si2 Ir2",
"formula_reduced": "Nd(SiIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.4519681799999997,
"spacegroup": 139
},
{
"id": "jvasp-118936",
"created_at": "2022-09-04T14:38:30.618737Z",
"updated_at": "2022-09-04T14:38:30.618757Z",
"structure_string": "Li1 Au2 S2\n1.0\n4.127766 0.000000 0.000000\n-2.063883 3.574750 0.000000\n-0.000000 -0.000000 7.025545\nLi Au S\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.333335 0.666667 0.277818 Au\n0.666669 0.333334 0.722182 Au\n0.333335 0.666667 0.758688 S\n0.666669 0.333334 0.241312 S\n",
"nsites": 5,
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"elements": [
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],
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"density": 7.448437036339015,
"density_atomic": 0.04823133024499225,
"volume": 103.66705572088463,
"volume_molar": 12.48595203451861,
"formula_full": "Li1 Au2 S2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 1.087715028,
"spacegroup": 164
},
{
"id": "jvasp-54944",
"created_at": "2022-09-04T14:38:33.221110Z",
"updated_at": "2022-09-04T14:38:33.221141Z",
"structure_string": "Ba2 As4 Pd4\n1.0\n4.455201 -0.000000 -0.946644\n-0.201144 4.450657 -0.946644\n-0.007120 -0.007449 10.923590\nBa As Pd\n2 4 4\ndirect\n0.623400 0.623400 0.246799 Ba\n0.376601 0.376600 0.753202 Ba\n0.250001 0.750000 0.500000 As\n0.932358 0.932358 0.864715 As\n0.067643 0.067643 0.135285 As\n0.750000 0.250000 0.500000 As\n0.500000 0.000000 0.000000 Pd\n0.193454 0.193454 0.386907 Pd\n0.000000 0.500000 0.000000 Pd\n0.806547 0.806547 0.613094 Pd\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "As-Ba-Pd",
"density": 7.668795179940492,
"density_atomic": 0.046181621944083213,
"volume": 216.536353186296,
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"formula_full": "Ba2 As4 Pd4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-55104",
"created_at": "2022-09-04T14:38:33.151886Z",
"updated_at": "2022-09-04T14:38:33.151905Z",
"structure_string": "Yb1 Ni2 Ge2\n1.0\n3.798547 0.000000 -1.444226\n-0.549102 3.758650 -1.444226\n-0.009395 -0.010867 5.692799\nYb Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750001 0.250000 0.500000 Ni\n0.250001 0.750000 0.500000 Ni\n0.370189 0.370187 0.740376 Ge\n0.629814 0.629812 0.259624 Ge\n",
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],
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"formula_full": "Yb1 Ni2 Ge2",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-118086",
"created_at": "2022-09-04T14:38:31.120850Z",
"updated_at": "2022-09-04T14:38:31.120889Z",
"structure_string": "Sc2 N1 Cl2\n1.0\n3.355864 0.000000 -0.000000\n-1.677932 2.906263 -0.000000\n0.000000 -0.000000 8.812628\nSc N Cl\n2 1 2\ndirect\n0.666667 0.333333 0.634614 Sc\n0.333334 0.666667 0.365386 Sc\n0.000000 0.000000 0.500000 N\n0.666667 0.333333 0.174191 Cl\n0.333334 0.666667 0.825809 Cl\n",
"nsites": 5,
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"elements": [
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],
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"formula_full": "Sc2 N1 Cl2",
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}
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}