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{
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{
"id": "mp-570910",
"created_at": "2022-09-04T14:47:28.819598Z",
"structure_string": "Rb2 Cr1 Cl4\n1.0\n-2.539923 2.539923 8.135800\n2.539923 -2.539923 8.135800\n2.539923 2.539923 -8.135800\nRb Cr Cl\n2 1 4\ndirect\n0.639459 0.639459 0.000000 Rb\n0.360541 0.360541 0.000000 Rb\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cl\n0.849548 0.849548 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n0.150452 0.150452 0.000000 Cl\n",
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{
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"volume": 157.1063926040371,
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"formula_full": "Ni1 Cl2 O6",
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},
{
"id": "mp-561428",
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"structure_string": "Ni2 F6\n1.0\n4.623204 -2.468294 0.000000\n4.623204 2.468294 0.000000\n3.305400 0.000000 4.067040\nNi F\n2 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.250000 0.618071 0.881929 F\n0.618071 0.881929 0.250000 F\n0.881929 0.250000 0.618071 F\n0.750000 0.381929 0.118071 F\n0.381929 0.118071 0.750000 F\n0.118071 0.750000 0.381929 F\n",
"nsites": 8,
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"elements": [
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"density": 4.139246693160606,
"density_atomic": 0.08618696800446977,
"volume": 92.82145764293634,
"volume_molar": 6.987298543426756,
"formula_full": "Ni2 F6",
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"updated_at": "2021-11-28T01:37:27.703000Z",
"spacegroup": 167
},
{
"id": "mp-1260",
"created_at": "2022-09-04T14:48:22.295384Z",
"structure_string": "Sr1 Pd5\n1.0\n2.730295 -4.729010 0.000000\n2.730295 4.729010 0.000000\n0.000000 0.000000 4.464369\nSr Pd\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.333333 0.666667 0.000000 Pd\n",
"nsites": 6,
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"density": 8.926366703119927,
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"volume": 115.28422532693774,
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"formula_full": "Sr1 Pd5",
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"updated_at": "2021-11-28T01:39:04.626000Z",
"spacegroup": 191
},
{
"id": "mp-972822",
"created_at": "2022-09-04T14:47:43.293226Z",
"structure_string": "Si1 B1 O3\n1.0\n3.336259 0.000000 0.000000\n0.000000 3.336259 0.000000\n0.000000 0.000000 3.336259\nSi B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"chemical_system": "B-O-Si",
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"density_atomic": 0.13464515457781268,
"volume": 37.13464487955602,
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"formula_full": "Si1 B1 O3",
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"updated_at": "2021-11-28T01:38:13.533000Z",
"spacegroup": 221
},
{
"id": "mp-573376",
"created_at": "2022-09-04T14:43:14.559735Z",
"structure_string": "Lu2 C1 Cl2\n1.0\n9.241684 -1.805963 0.000000\n9.241684 1.805963 0.000000\n8.888771 0.000000 3.108048\nLu C Cl\n2 1 2\ndirect\n0.880400 0.880400 0.880400 Lu\n0.119600 0.119600 0.119600 Lu\n0.500000 0.500000 0.500000 C\n0.276453 0.276453 0.276453 Cl\n0.723547 0.723547 0.723547 Cl\n",
"nsites": 5,
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"elements": [
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"C",
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"density": 6.928026586560485,
"density_atomic": 0.04819392842348139,
"volume": 103.74750852565619,
"volume_molar": 12.495641996816033,
"formula_full": "Lu2 C1 Cl2",
"formula_reduced": "Lu2CCl2",
"formula_anonymous": "AB2C2",
"energy": -31.05936133,
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"updated_at": "2021-11-28T01:36:15.096000Z",
"spacegroup": 166
},
{
"id": "mp-1120747",
"created_at": "2022-09-04T14:39:23.788526Z",
"structure_string": "Si6\n1.0\n2.546187 -4.410126 0.000000\n2.546187 4.410126 0.000000\n0.000000 0.000000 4.419092\nSi\n6\ndirect\n0.670035 0.835017 0.250000 Si\n0.835017 0.164983 0.750000 Si\n0.164983 0.329965 0.250000 Si\n0.835017 0.670035 0.750000 Si\n0.329965 0.164983 0.750000 Si\n0.164983 0.835017 0.250000 Si\n",
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"volume": 99.24401665375905,
"volume_molar": 9.961023964612021,
"formula_full": "Si6",
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"updated_at": "2021-11-28T01:34:36.036000Z",
"spacegroup": 194
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{
"id": "mp-1080805",
"created_at": "2022-09-04T14:43:40.793979Z",
"structure_string": "Ag2 As1 S4 N1\n1.0\n-3.253543 3.253543 4.341453\n3.253543 -3.253543 4.341453\n3.253543 3.253543 -4.341453\nAg As S N\n2 1 4 1\ndirect\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.073059 0.073059 0.411144 S\n0.661915 0.661915 0.588856 S\n0.338085 0.926941 0.000000 S\n0.926941 0.338085 0.000000 S\n0.500000 0.500000 0.000000 N\n",
"nsites": 8,
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"density": 3.910688869017461,
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"volume": 183.82653320786977,
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"formula_full": "Ag2 As1 S4 N1",
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"formula_anonymous": "ABC2D4",
"energy": -32.20142456,
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"spacegroup": 121
},
{
"id": "mp-1016931",
"created_at": "2022-09-04T14:46:35.743475Z",
"structure_string": "V1 Zn1 O3\n1.0\n3.780363 0.000000 0.000000\n0.000000 3.780363 0.000000\n0.000000 0.000000 3.780363\nV Zn O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "mp-1026710",
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"structure_string": "Rb1 Mg14 Mo1\n1.0\n6.470101 -0.070698 0.000000\n-3.296276 5.709318 0.000000\n0.000000 0.000000 10.368193\nRb Mg Mo\n1 14 1\ndirect\n0.157936 0.328967 0.125000 Rb\n0.171979 0.335989 0.625000 Mg\n0.166034 0.833016 0.625000 Mg\n0.659686 0.326513 0.125000 Mg\n0.666314 0.338976 0.625000 Mg\n0.659686 0.833173 0.125000 Mg\n0.666314 0.827337 0.625000 Mg\n0.332582 0.149121 0.378863 Mg\n0.332582 0.149121 0.871137 Mg\n0.332582 0.683462 0.378863 Mg\n0.332582 0.683462 0.871137 Mg\n0.820160 0.160080 0.393497 Mg\n0.820160 0.160080 0.856503 Mg\n0.844980 0.672491 0.361169 Mg\n0.844980 0.672491 0.888831 Mg\n0.191443 0.845721 0.125000 Mo\n",
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{
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{
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]
}