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{
"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",
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{
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"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",
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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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"elements": [
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"density": 0.2723558040525309,
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"volume": 988.095716284265,
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"formula_full": "Li1 Mg1 Zn2",
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"energy": -2.14937922,
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"updated_at": "2021-11-28T01:35:08.084000Z",
"spacegroup": 71
},
{
"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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"elements": [
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"density": 0.27255800247345296,
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"volume": 1574.989225946418,
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"formula_full": "Sr1 Ca1 Zn2",
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"spacegroup": 71
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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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"N"
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"chemical_system": "Al-N-Nb",
"density": 0.2727468367355145,
"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
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{
"id": "mp-1093736",
"created_at": "2022-09-04T14:39:49.464646Z",
"structure_string": "Sr2 Mg1 Cd1\n1.0\n-6.659173 7.547183 9.414880\n6.659173 -7.547183 9.414880\n6.659173 7.547183 -9.414880\nSr Mg Cd\n2 1 1\ndirect\n0.746927 0.000000 0.746927 Sr\n0.253073 0.000000 0.253073 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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],
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"density": 0.2736922386555808,
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"volume": 1892.6920529600734,
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"formula_full": "Sr2 Mg1 Cd1",
"formula_reduced": "Sr2MgCd",
"formula_anonymous": "ABC2",
"energy": -1.19464621,
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"updated_at": "2021-11-28T01:34:40.983000Z",
"spacegroup": 71
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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",
"nsites": 4,
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"volume": 1527.6870268828761,
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"formula_full": "Sr2 Li1 Ga1",
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"updated_at": "2021-11-28T01:34:31.127000Z",
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{
"id": "mp-1206297",
"created_at": "2022-09-04T14:42:08.969538Z",
"structure_string": "Tl4 S6\n1.0\n-4.905228 -8.496103 0.000000\n-7.048799 9.733695 0.000000\n0.000000 0.000000 -56.829767\nTl S\n4 6\ndirect\n0.000000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n-0.000000 0.500000 0.000000 Tl\n0.000000 -0.000000 0.000000 Tl\n-0.000000 0.000000 0.749902 S\n-0.000000 0.000000 0.250098 S\n0.763463 0.734553 -0.000000 S\n0.236537 0.265447 0.000000 S\n0.028910 0.265447 -0.000000 S\n0.971090 0.734553 0.000000 S\n",
"nsites": 10,
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"elements": [
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"density": 0.2741667931507101,
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"volume": 6116.776246289699,
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"formula_full": "Tl4 S6",
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"energy": -28.18356837,
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"spacegroup": 65
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{
"id": "mp-1178625",
"created_at": "2022-09-04T14:45:19.744040Z",
"structure_string": "Zr3 Cd2\n1.0\n5.490113 0.000000 0.000000\n0.000000 20.033682 0.000000\n0.000000 0.000000 27.437381\nZr Cd\n3 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 5,
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"volume": 3017.7601075185053,
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"formula_full": "Zr3 Cd2",
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"updated_at": "2021-11-28T01:37:04.698000Z",
"spacegroup": 47
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{
"id": "mp-1093766",
"created_at": "2022-09-04T14:42:04.973341Z",
"structure_string": "Ca2 Zn1 In1\n1.0\n-6.223460 6.789714 9.322966\n6.223460 -6.789714 9.322966\n6.223460 6.789714 -9.322966\nCa Zn In\n2 1 1\ndirect\n0.000000 0.256219 0.256219 Ca\n0.000000 0.743781 0.743781 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 In\n",
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"volume": 1575.7868623356537,
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{
"id": "mp-1093904",
"created_at": "2022-09-04T14:39:11.015889Z",
"structure_string": "Rb1 Na2 Bi1\n1.0\n-6.919010 7.225098 10.180580\n6.919010 -7.225098 10.180580\n6.919010 7.225098 -10.180580\nRb Na Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.276311 0.276311 Na\n0.000000 0.723689 0.723689 Na\n0.000000 0.500000 0.500000 Bi\n",
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"formula_full": "Rb1 Na2 Bi1",
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{
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"created_at": "2022-09-04T14:42:20.565353Z",
"structure_string": "Pr2 Cu1 Sb3\n1.0\n10.074944 0.000000 0.000000\n0.000000 10.074944 0.000000\n0.000000 0.000000 41.747216\nPr Cu Sb\n2 1 3\ndirect\n0.500000 0.500000 0.243344 Pr\n0.500000 0.500000 0.756656 Pr\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.691321 Sb\n0.500000 0.500000 0.308679 Sb\n0.500000 0.500000 0.000000 Sb\n",
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"volume": 4237.530144662385,
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"formula_full": "Pr2 Cu1 Sb3",
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"energy": -12.53888441,
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"updated_at": "2021-11-28T01:35:42.116000Z",
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]
}