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{
"id": "mp-1096141",
"created_at": "2022-09-04T14:39:44.327040Z",
"structure_string": "Sr2 Li1 Ga1\n1.0\n-6.343284 6.716797 8.963921\n6.343284 -6.716797 8.963921\n6.343284 6.716797 -8.963921\nSr Li Ga\n2 1 1\ndirect\n0.265312 0.000000 0.265311 Sr\n0.734689 0.000000 0.734689 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Ga\n",
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{
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{
"id": "mp-1182706",
"created_at": "2022-09-04T14:43:59.131573Z",
"structure_string": "Nb12 Al8 N4\n1.0\n20.362438 -0.000000 -0.000000\n-0.000000 20.362438 -0.000000\n0.000000 -0.000000 20.362438\nNb Al N\n12 8 4\ndirect\n0.559712 0.375000 0.809712 Nb\n0.375000 0.809712 0.559712 Nb\n0.309712 0.940288 0.625000 Nb\n0.190288 0.059712 0.125000 Nb\n0.059712 0.125000 0.190288 Nb\n0.940288 0.625000 0.309712 Nb\n0.875000 0.690288 0.440288 Nb\n0.809712 0.559712 0.375000 Nb\n0.690288 0.440288 0.875000 Nb\n0.125000 0.190288 0.059712 Nb\n0.625000 0.309712 0.940288 Nb\n0.440288 0.875000 0.690288 Nb\n0.567325 0.432675 0.932675 Al\n0.067325 0.067325 0.067325 Al\n0.432675 0.932675 0.567325 Al\n0.682675 0.317325 0.817325 Al\n0.817325 0.682675 0.317325 Al\n0.182675 0.182675 0.182675 Al\n0.932675 0.567325 0.432675 Al\n0.317325 0.817325 0.682675 Al\n0.875000 0.625000 0.375000 N\n0.625000 0.375000 0.875000 N\n0.125000 0.125000 0.125000 N\n0.375000 0.875000 0.625000 N\n",
"nsites": 24,
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"elements": [
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"chemical_system": "Al-N-Nb",
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"density_atomic": 0.0028426403529122567,
"volume": 8442.854888558884,
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"formula_full": "Nb12 Al8 N4",
"formula_reduced": "Nb3Al2N",
"formula_anonymous": "AB2C3",
"energy": -127.91740184,
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"updated_at": "2021-11-28T01:36:21.008000Z",
"spacegroup": 212
},
{
"id": "mp-1097624",
"created_at": "2022-09-04T14:47:23.852238Z",
"structure_string": "Sr1 Ca1 Zn2\n1.0\n-6.365359 6.870851 9.002936\n6.365359 -6.870851 9.002936\n6.365359 6.870851 -9.002936\nSr Ca Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.245462 0.000000 0.245462 Zn\n0.754538 0.000000 0.754538 Zn\n",
"nsites": 4,
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"volume": 1574.989225946418,
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"formula_full": "Sr1 Ca1 Zn2",
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"updated_at": "2021-11-28T01:38:05.627000Z",
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},
{
"id": "mp-1095761",
"created_at": "2022-09-04T14:41:10.940089Z",
"structure_string": "Li1 Mg1 Zn2\n1.0\n-5.582149 5.604890 7.895334\n5.582149 -5.604890 7.895334\n5.582149 5.604890 -7.895334\nLi Mg Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n0.241277 0.000000 0.241277 Zn\n0.758723 0.000000 0.758723 Zn\n",
"nsites": 4,
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"volume": 988.095716284265,
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"formula_full": "Li1 Mg1 Zn2",
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"updated_at": "2021-11-28T01:35:08.084000Z",
"spacegroup": 71
},
{
"id": "mp-1213541",
"created_at": "2022-09-04T14:39:16.647780Z",
"structure_string": "Na1 Mo3 O6\n1.0\n4.023701 -7.024615 0.000000\n4.023701 7.024615 0.000000\n0.000000 0.000000 43.974061\nNa Mo O\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Mo\n0.500000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.000000 0.000000 0.245249 O\n0.000000 0.000000 0.754751 O\n0.317489 0.067141 0.000000 O\n0.682511 0.932859 0.000000 O\n0.067141 0.317489 0.000000 O\n0.932859 0.682511 0.000000 O\n",
"nsites": 10,
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"O"
],
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"density": 0.27174516772279117,
"density_atomic": 0.00402276999470875,
"volume": 2485.8493061132626,
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"formula_full": "Na1 Mo3 O6",
"formula_reduced": "Na(MoO2)3",
"formula_anonymous": "AB3C6",
"energy": -59.63271848,
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"updated_at": "2021-11-28T01:34:31.025000Z",
"spacegroup": 65
},
{
"id": "mp-1179832",
"created_at": "2022-09-04T14:42:54.098237Z",
"structure_string": "Rb8\n1.0\n-13.000871 13.000871 6.192701\n13.000871 -13.000871 6.192701\n13.000871 13.000871 -6.192701\nRb\n8\ndirect\n0.210183 0.086187 0.296370 Rb\n0.086187 0.789817 0.876005 Rb\n0.210183 0.913813 0.123995 Rb\n0.789817 0.913813 0.703630 Rb\n0.789817 0.086187 0.876005 Rb\n0.086187 0.210183 0.296370 Rb\n0.913813 0.210183 0.123995 Rb\n0.913813 0.789817 0.703630 Rb\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.0019107549173081662,
"volume": 4186.826854419531,
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"formula_full": "Rb8",
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"updated_at": "2021-11-28T01:35:55.898000Z",
"spacegroup": 139
},
{
"id": "mp-1248765",
"created_at": "2022-09-04T14:45:29.851996Z",
"structure_string": "Li2 La1 Al1\n1.0\n-10.418208 0.035657 -5.956726\n-10.191313 0.001509 5.555991\n-6.889595 9.340175 -0.162750\nLi La Al\n2 1 1\ndirect\n0.769092 0.003596 0.003596 Li\n0.230908 0.996404 0.996404 Li\n0.500000 -0.000000 -0.000000 La\n0.000000 -0.000000 -0.000000 Al\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.0036160773867777696,
"volume": 1106.1710168665218,
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"formula_full": "Li2 La1 Al1",
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"spacegroup": 12
},
{
"id": "mp-1207062",
"created_at": "2022-09-04T14:44:24.901799Z",
"structure_string": "Tm3 Tl1 S6\n1.0\n7.214893 -7.589748 0.000000\n7.214893 7.589748 0.000000\n0.000000 0.000000 51.028542\nTm Tl S\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Tm\n0.500000 0.000000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.231176 S\n0.000000 0.000000 0.768824 S\n0.271032 0.010352 0.000000 S\n0.728968 0.989648 0.000000 S\n0.010352 0.271032 0.000000 S\n0.989648 0.728968 0.000000 S\n",
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{
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{
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"volume": 2941.8045803029827,
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"formula_full": "Cs2 Rb1 Sb1",
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{
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"created_at": "2022-09-04T14:45:59.802166Z",
"structure_string": "Y2 Ga1 Pb1\n1.0\n-5.696480 9.229179 13.484509\n5.696480 -9.229179 13.484509\n5.696480 9.229179 -13.484509\nY Ga Pb\n2 1 1\ndirect\n0.000000 0.249157 0.249157 Y\n0.000000 0.750843 0.750843 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pb\n",
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"formula_full": "Y2 Ga1 Pb1",
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}
]
}