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{
"id": "jvasp-16849",
"created_at": "2022-09-04T14:38:30.743157Z",
"updated_at": "2022-09-04T14:38:30.743172Z",
"structure_string": "Sr1 Cd2 Ga2\n1.0\n4.284813 0.000000 -1.575398\n-0.579228 4.245482 -1.575398\n-0.018900 -0.021652 6.563272\nSr Cd Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.250000 0.499999 Cd\n0.249999 0.750000 0.499999 Cd\n0.609122 0.609123 0.218245 Ga\n0.390877 0.390877 0.781754 Ga\n",
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{
"id": "jvasp-115302",
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"updated_at": "2022-09-04T14:38:44.717806Z",
"structure_string": "Rb2 Pd1 O2\n1.0\n-2.076851 2.076851 6.787700\n2.076851 -2.076851 6.787700\n2.076851 2.076851 -6.787700\nRb Pd O\n2 1 2\ndirect\n0.348681 0.348681 0.000000 Rb\n0.651318 0.651318 0.000000 Rb\n0.000000 0.000000 0.000000 Pd\n0.862163 0.862163 0.000000 O\n0.137837 0.137837 0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:38:40.527222Z",
"structure_string": "Zn2 S1 O2\n1.0\n3.299972 0.000000 0.000000\n-1.649986 2.857859 0.000000\n0.000000 0.000000 7.504476\nZn S O\n2 1 2\ndirect\n0.666667 0.333334 0.331366 Zn\n0.333334 0.666667 0.668634 Zn\n0.000000 0.000000 0.000000 S\n0.333334 0.666667 0.353792 O\n0.666667 0.333334 0.646208 O\n",
"nsites": 5,
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"elements": [
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],
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"volume": 70.77362260515746,
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"formula_full": "Zn2 S1 O2",
"formula_reduced": "Zn2SO2",
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"spacegroup": 164
},
{
"id": "jvasp-92382",
"created_at": "2022-09-04T14:36:03.440474Z",
"updated_at": "2022-09-04T14:36:03.440501Z",
"structure_string": "U2 Sb1 N2\n1.0\n3.712229 -0.000000 -1.118458\n-0.336981 3.696902 -1.118458\n0.004287 0.004696 6.734012\nU Sb N\n2 1 2\ndirect\n0.343831 0.343831 0.687660 U\n0.656170 0.656170 0.312339 U\n0.000000 0.000000 0.000000 Sb\n0.250001 0.750000 0.500000 N\n0.750001 0.250000 0.500000 N\n",
"nsites": 5,
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"elements": [
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"Sb",
"N"
],
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"density": 11.240264546973762,
"density_atomic": 0.054080439854779054,
"volume": 92.45486932847409,
"volume_molar": 11.135524740869554,
"formula_full": "U2 Sb1 N2",
"formula_reduced": "U2SbN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.81354492,
"spacegroup": 139
},
{
"id": "jvasp-15270",
"created_at": "2022-09-04T14:36:00.433944Z",
"updated_at": "2022-09-04T14:36:00.433972Z",
"structure_string": "Ce1 Si2 Pd2\n1.0\n3.923392 0.000000 -1.525543\n-0.593181 3.878291 -1.525543\n0.011436 0.013318 5.837273\nCe Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.617262 0.617262 0.234524 Si\n0.382738 0.382738 0.765477 Si\n0.750000 0.250000 0.500000 Pd\n0.250001 0.750000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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],
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"density": 7.635127870018828,
"density_atomic": 0.05619259394972956,
"volume": 88.9796972973529,
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"formula_full": "Ce1 Si2 Pd2",
"formula_reduced": "Ce(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.33978482,
"spacegroup": 139
},
{
"id": "jvasp-85916",
"created_at": "2022-09-04T14:35:57.054319Z",
"updated_at": "2022-09-04T14:35:57.054348Z",
"structure_string": "Ho2 Ni2 Pb1\n1.0\n3.634638 0.000000 0.000000\n0.000000 3.814873 -1.098306\n0.000000 0.062455 7.391408\nHo Ni Pb\n2 2 1\ndirect\n0.500000 0.640952 0.281903 Ho\n0.500000 0.359048 0.718097 Ho\n0.000000 0.200496 0.400991 Ni\n0.000000 0.799504 0.599009 Ni\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 5,
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"elements": [
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"formula_full": "Ho2 Ni2 Pb1",
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"spacegroup": 65
},
{
"id": "jvasp-63072",
"created_at": "2022-09-04T14:35:56.211187Z",
"updated_at": "2022-09-04T14:35:56.211220Z",
"structure_string": "Er1 Si2 Au2\n1.0\n-2.149487 2.149487 5.032968\n2.149487 -2.149487 5.032968\n2.149487 2.149487 -5.032968\nEr Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.613622 0.613622 0.000000 Si\n0.386378 0.386378 0.000000 Si\n0.750001 0.250000 0.500001 Au\n0.250000 0.750001 0.500001 Au\n",
"nsites": 5,
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],
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"volume": 93.01517472163984,
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"formula_full": "Er1 Si2 Au2",
"formula_reduced": "Er(SiAu)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-92518",
"created_at": "2022-09-04T14:35:50.101300Z",
"updated_at": "2022-09-04T14:35:50.101330Z",
"structure_string": "Ca2 Mg1 Pt2\n1.0\n-4.304620 -0.000000 0.000000\n-2.152309 -2.942742 4.357622\n-2.152309 2.942742 4.357622\nCa Mg Pt\n2 1 2\ndirect\n0.799867 0.700133 0.700133 Ca\n0.200134 0.299867 0.299867 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 0.267816 0.732184 Pt\n0.500000 0.732184 0.267816 Pt\n",
"nsites": 5,
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"elements": [
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"Mg",
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],
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"density": 7.439814640321387,
"density_atomic": 0.04529011744944932,
"volume": 110.39936042516919,
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"formula_full": "Ca2 Mg1 Pt2",
"formula_reduced": "Ca2MgPt2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5536765380000002,
"spacegroup": 71
},
{
"id": "jvasp-92709",
"created_at": "2022-09-04T14:35:54.122739Z",
"updated_at": "2022-09-04T14:35:54.122758Z",
"structure_string": "Ba1 Co2 Ge2\n1.0\n4.028813 -0.000000 -0.000000\n-0.000000 4.028813 -0.000000\n-2.014406 -2.014406 6.127393\nBa Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.249999 0.749999 0.500000 Co\n0.749999 0.249999 0.500000 Co\n0.654223 0.654223 0.308446 Ge\n0.345775 0.345775 0.691554 Ge\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.686406960161772,
"density_atomic": 0.05027360732588643,
"volume": 99.45576349014935,
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"formula_full": "Ba1 Co2 Ge2",
"formula_reduced": "Ba(CoGe)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-86707",
"created_at": "2022-09-04T14:35:59.286736Z",
"updated_at": "2022-09-04T14:35:59.286757Z",
"structure_string": "U1 Mn2 Si2\n1.0\n3.746764 -0.000000 -1.329330\n-0.471639 3.716961 -1.329330\n-0.153001 -0.173642 5.513618\nU Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.750000 0.500000 Mn\n0.749999 0.250000 0.500000 Mn\n0.626199 0.626200 0.252399 Si\n0.373800 0.373801 0.747601 Si\n",
"nsites": 5,
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"formula_full": "U1 Mn2 Si2",
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"spacegroup": 139
},
{
"id": "jvasp-96919",
"created_at": "2022-09-04T14:35:56.482031Z",
"updated_at": "2022-09-04T14:35:56.482062Z",
"structure_string": "Pr8 Mo4 C8\n1.0\n5.852603 -0.000000 0.000000\n-0.000000 5.852603 0.000000\n0.000000 0.000000 10.525005\nPr Mo C\n8 4 8\ndirect\n0.196360 0.196360 0.343800 Pr\n0.696360 0.303640 0.843800 Pr\n0.696360 0.303640 0.156201 Pr\n0.303640 0.696360 0.156201 Pr\n0.803640 0.803640 0.343800 Pr\n0.196360 0.196360 0.656201 Pr\n0.803640 0.803640 0.656201 Pr\n0.303640 0.696360 0.843800 Pr\n0.823857 0.823857 0.000000 Mo\n0.676143 0.323857 0.500000 Mo\n0.323857 0.676143 0.500000 Mo\n0.176143 0.176143 0.000000 Mo\n0.000000 0.000000 0.140786 C\n0.500000 0.500000 0.640786 C\n0.500000 0.500000 0.359215 C\n0.000000 0.000000 0.859215 C\n0.000000 0.500000 0.000000 C\n0.000000 0.500000 0.500000 C\n0.500000 0.000000 0.500000 C\n0.500000 0.000000 0.000000 C\n",
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"elements": [
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"density": 7.402414402628852,
"density_atomic": 0.05547656386232402,
"volume": 360.51259500559416,
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"formula_full": "Pr8 Mo4 C8",
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{
"id": "jvasp-92418",
"created_at": "2022-09-04T14:35:57.075949Z",
"updated_at": "2022-09-04T14:35:57.075983Z",
"structure_string": "Np1 Ni2 Ge2\n1.0\n3.797252 0.000000 -1.435788\n-0.542889 3.758243 -1.435788\n-0.008438 -0.009743 5.716908\nNp Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.749999 0.250000 0.500000 Ni\n0.249999 0.750000 0.500000 Ni\n0.372708 0.372709 0.745419 Ge\n0.627290 0.627291 0.254580 Ge\n",
"nsites": 5,
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