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{
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"results": [
{
"id": "mp-2109",
"created_at": "2022-09-04T14:47:45.122809Z",
"structure_string": "Ce2 Pt4\n1.0\n0.000000 3.885372 3.885372\n3.885372 0.000000 3.885372\n3.885372 3.885372 0.000000\nCe Pt\n2 4\ndirect\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Ce\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.125000 0.125000 Pt\n",
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{
"id": "mp-504732",
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"structure_string": "Ti12 Mn12 O4\n1.0\n0.000000 5.946461 5.946461\n5.946461 0.000000 5.946461\n5.946461 5.946461 0.000000\nTi Mn O\n12 12 4\ndirect\n0.932035 0.932035 0.567965 Ti\n0.682035 0.317965 0.317965 Ti\n0.317965 0.682035 0.682035 Ti\n0.682035 0.682035 0.317965 Ti\n0.682035 0.317965 0.682035 Ti\n0.317965 0.682035 0.317965 Ti\n0.567965 0.932035 0.567965 Ti\n0.567965 0.932035 0.932035 Ti\n0.932035 0.567965 0.567965 Ti\n0.932035 0.567965 0.932035 Ti\n0.317965 0.317965 0.682035 Ti\n0.567965 0.567965 0.932035 Ti\n0.125000 0.625000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.125000 Mn\n0.911290 0.266130 0.911290 Mn\n0.338710 0.338710 0.983870 Mn\n0.983870 0.338710 0.338710 Mn\n0.338710 0.338710 0.338710 Mn\n0.266130 0.911290 0.911290 Mn\n0.911290 0.911290 0.911290 Mn\n0.911290 0.911290 0.266130 Mn\n0.338710 0.983870 0.338710 Mn\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.125000 O\n0.125000 0.625000 0.625000 O\n0.625000 0.625000 0.625000 O\n",
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"formula_full": "Ti12 Mn12 O4",
"formula_reduced": "Ti3Mn3O",
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"energy": -235.99942918000005,
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"updated_at": "2021-11-28T01:38:19.284000Z",
"spacegroup": 227
},
{
"id": "mp-684027",
"created_at": "2022-09-04T14:47:44.312265Z",
"structure_string": "Mg6 Mn4 Al36\n1.0\n0.000000 7.209417 7.209417\n7.209417 0.000000 7.209417\n7.209417 7.209417 0.000000\nMg Mn Al\n6 4 36\ndirect\n0.250000 0.250000 0.250000 Mg\n0.625000 0.125000 0.125000 Mg\n0.125000 0.625000 0.125000 Mg\n0.000000 0.000000 0.000000 Mg\n0.125000 0.125000 0.125000 Mg\n0.125000 0.125000 0.625000 Mg\n0.625000 0.625000 0.125000 Mn\n0.625000 0.625000 0.625000 Mn\n0.625000 0.125000 0.625000 Mn\n0.125000 0.625000 0.625000 Mn\n0.334947 0.066446 0.799303 Al\n0.066446 0.799303 0.334947 Al\n0.915053 0.183554 0.450697 Al\n0.183554 0.450697 0.450697 Al\n0.066446 0.334947 0.799303 Al\n0.799303 0.799303 0.066446 Al\n0.799303 0.066446 0.799303 Al\n0.637418 0.637418 0.362582 Al\n0.799303 0.334947 0.066446 Al\n0.450697 0.450697 0.183554 Al\n0.450697 0.915053 0.450697 Al\n0.799303 0.066446 0.334947 Al\n0.637418 0.362582 0.637418 Al\n0.450697 0.183554 0.915053 Al\n0.183554 0.915053 0.450697 Al\n0.887418 0.887418 0.612582 Al\n0.066446 0.799303 0.799303 Al\n0.334947 0.799303 0.066446 Al\n0.799303 0.334947 0.799303 Al\n0.915053 0.450697 0.183554 Al\n0.612582 0.887418 0.887418 Al\n0.637418 0.362582 0.362582 Al\n0.450697 0.183554 0.450697 Al\n0.612582 0.887418 0.612582 Al\n0.183554 0.450697 0.915053 Al\n0.915053 0.450697 0.450697 Al\n0.362582 0.637418 0.637418 Al\n0.612582 0.612582 0.887418 Al\n0.887418 0.612582 0.612582 Al\n0.362582 0.362582 0.637418 Al\n0.450697 0.450697 0.915053 Al\n0.799303 0.799303 0.334947 Al\n0.334947 0.799303 0.799303 Al\n0.362582 0.637418 0.362582 Al\n0.887418 0.612582 0.887418 Al\n0.450697 0.915053 0.183554 Al\n",
"nsites": 46,
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"elements": [
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],
"chemical_system": "Al-Mg-Mn",
"density": 2.962260814924126,
"density_atomic": 0.06138007251360685,
"volume": 749.4288963214019,
"volume_molar": 9.811231094041148,
"formula_full": "Mg6 Mn4 Al36",
"formula_reduced": "Mg3(MnAl9)2",
"formula_anonymous": "A2B3C18",
"energy": -185.86857861,
"energy_per_atom": -4.040621274130435,
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"updated_at": "2021-11-28T01:38:22.262000Z",
"spacegroup": 227
},
{
"id": "mp-25283",
"created_at": "2022-09-04T14:47:44.220326Z",
"structure_string": "V4 O8\n1.0\n5.129364 0.006660 2.955498\n1.716187 4.833971 -2.956286\n-5.136383 0.002721 2.967990\nV O\n4 8\ndirect\n0.499986 0.499970 0.000011 V\n0.999964 0.000012 0.499925 V\n0.999955 0.499936 0.999969 V\n0.000082 0.500105 0.500096 V\n0.760692 0.734372 0.033110 O\n0.201365 0.737883 0.466616 O\n0.239282 0.265562 0.966839 O\n0.227818 0.701257 0.966943 O\n0.798637 0.262157 0.533388 O\n0.234364 0.271072 0.532956 O\n0.765638 0.728949 0.467041 O\n0.772224 0.298731 0.033111 O\n",
"nsites": 12,
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"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 3.745174533850451,
"density_atomic": 0.08157904500493357,
"volume": 147.09659814323996,
"volume_molar": 7.381970161131213,
"formula_full": "V4 O8",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
"energy": -103.72884915,
"energy_per_atom": -8.6440707625,
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"updated_at": "2021-11-28T01:38:20.770000Z",
"spacegroup": 227
},
{
"id": "mp-756317",
"created_at": "2022-09-04T14:47:44.032328Z",
"structure_string": "Al4 Hg2 O8\n1.0\n0.000000 4.281905 4.281905\n4.281905 0.000000 4.281905\n4.281905 4.281905 0.000000\nAl Hg O\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Al\n0.625000 0.625000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.625000 0.125000 0.625000 Al\n0.250000 0.250000 0.250000 Hg\n0.000000 0.000000 0.000000 Hg\n0.397490 0.807529 0.397490 O\n0.397490 0.397490 0.807529 O\n0.852510 0.442471 0.852510 O\n0.852510 0.852510 0.442471 O\n0.852510 0.852510 0.852510 O\n0.442471 0.852510 0.852510 O\n0.807529 0.397490 0.397490 O\n0.397490 0.397490 0.397490 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Al-Hg-O",
"density": 6.737775668397361,
"density_atomic": 0.08916346905474382,
"volume": 157.0149765191886,
"volume_molar": 6.754044928761775,
"formula_full": "Al4 Hg2 O8",
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"formula_anonymous": "AB2C4",
"energy": -90.77839864,
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"updated_at": "2021-11-28T01:38:18.904000Z",
"spacegroup": 227
},
{
"id": "mp-640442",
"created_at": "2022-09-04T14:47:43.481964Z",
"structure_string": "Na34 In24 Ga58\n1.0\n0.000000 11.009253 11.009253\n11.009253 0.000000 11.009253\n11.009253 11.009253 0.000000\nNa In Ga\n34 24 58\ndirect\n0.496092 0.884324 0.123492 Na\n0.275116 0.908295 0.908295 Na\n0.496092 0.123492 0.884324 Na\n0.123492 0.884324 0.496092 Na\n0.126508 0.753908 0.753908 Na\n0.365676 0.753908 0.126508 Na\n0.123492 0.496092 0.884324 Na\n0.250000 0.250000 0.250000 Na\n0.974884 0.341705 0.341705 Na\n0.341705 0.974884 0.341705 Na\n0.341705 0.341705 0.974884 Na\n0.753908 0.126508 0.753908 Na\n0.365676 0.753908 0.753908 Na\n0.884324 0.496092 0.496092 Na\n0.496092 0.496092 0.123492 Na\n0.496092 0.884324 0.496092 Na\n0.753908 0.365676 0.126508 Na\n0.126508 0.365676 0.753908 Na\n0.908295 0.275116 0.908295 Na\n0.753908 0.753908 0.126508 Na\n0.753908 0.365676 0.753908 Na\n0.496092 0.123492 0.496092 Na\n0.753908 0.126508 0.365676 Na\n0.000000 0.000000 0.000000 Na\n0.123492 0.496092 0.496092 Na\n0.908295 0.908295 0.908295 Na\n0.884324 0.123492 0.496092 Na\n0.126508 0.753908 0.365676 Na\n0.496092 0.496092 0.884324 Na\n0.341705 0.341705 0.341705 Na\n0.753908 0.753908 0.365676 Na\n0.908295 0.908295 0.275116 Na\n0.884324 0.496092 0.123492 Na\n0.365676 0.126508 0.753908 Na\n0.742674 0.353291 0.353291 In\n0.896709 0.896709 0.507326 In\n0.507326 0.699255 0.896709 In\n0.353291 0.550745 0.742674 In\n0.353291 0.550745 0.353291 In\n0.353291 0.353291 0.742674 In\n0.353291 0.742674 0.550745 In\n0.742674 0.550745 0.353291 In\n0.507326 0.896709 0.896709 In\n0.896709 0.507326 0.699255 In\n0.699255 0.896709 0.896709 In\n0.550745 0.353291 0.353291 In\n0.550745 0.353291 0.742674 In\n0.742674 0.353291 0.550745 In\n0.550745 0.742674 0.353291 In\n0.896709 0.507326 0.896709 In\n0.896709 0.699255 0.896709 In\n0.896709 0.699255 0.507326 In\n0.507326 0.896709 0.699255 In\n0.353291 0.742674 0.353291 In\n0.353291 0.353291 0.550745 In\n0.699255 0.896709 0.507326 In\n0.699255 0.507326 0.896709 In\n0.896709 0.896709 0.699255 In\n0.234873 0.942698 0.234873 Ga\n0.131173 0.783668 0.953986 Ga\n0.585178 0.244465 0.585178 Ga\n0.015127 0.662444 0.307302 Ga\n0.131173 0.131173 0.953986 Ga\n0.234873 0.942698 0.587556 Ga\n0.015127 0.015127 0.662444 Ga\n0.005535 0.664822 0.664822 Ga\n0.783668 0.953986 0.131173 Ga\n0.131173 0.783668 0.131173 Ga\n0.942698 0.587556 0.234873 Ga\n0.118827 0.118827 0.466332 Ga\n0.783668 0.131173 0.953986 Ga\n0.585178 0.585178 0.585178 Ga\n0.296014 0.118827 0.118827 Ga\n0.131173 0.953986 0.131173 Ga\n0.587556 0.234873 0.942698 Ga\n0.662444 0.015127 0.307302 Ga\n0.664822 0.664822 0.005535 Ga\n0.296014 0.466332 0.118827 Ga\n0.118827 0.466332 0.118827 Ga\n0.118827 0.466332 0.296014 Ga\n0.131173 0.131173 0.783668 Ga\n0.307302 0.015127 0.015127 Ga\n0.466332 0.118827 0.296014 Ga\n0.750000 0.750000 0.750000 Ga\n0.234873 0.234873 0.587556 Ga\n0.244465 0.585178 0.585178 Ga\n0.015127 0.307302 0.662444 Ga\n0.664822 0.664822 0.664822 Ga\n0.587556 0.234873 0.234873 Ga\n0.131173 0.953986 0.783668 Ga\n0.953986 0.131173 0.131173 Ga\n0.783668 0.131173 0.131173 Ga\n0.664822 0.005535 0.664822 Ga\n0.015127 0.662444 0.015127 Ga\n0.118827 0.118827 0.296014 Ga\n0.585178 0.585178 0.244465 Ga\n0.662444 0.307302 0.015127 Ga\n0.015127 0.015127 0.307302 Ga\n0.466332 0.118827 0.118827 Ga\n0.587556 0.942698 0.234873 Ga\n0.942698 0.234873 0.234873 Ga\n0.662444 0.015127 0.015127 Ga\n0.234873 0.587556 0.234873 Ga\n0.307302 0.662444 0.015127 Ga\n0.466332 0.296014 0.118827 Ga\n0.118827 0.296014 0.118827 Ga\n0.953986 0.783668 0.131173 Ga\n0.234873 0.587556 0.942698 Ga\n0.942698 0.234873 0.587556 Ga\n0.118827 0.296014 0.466332 Ga\n0.500000 0.500000 0.500000 Ga\n0.296014 0.118827 0.466332 Ga\n0.953986 0.131173 0.783668 Ga\n0.307302 0.015127 0.662444 Ga\n0.234873 0.234873 0.942698 Ga\n0.015127 0.307302 0.015127 Ga\n",
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],
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"density": 4.717202707520245,
"density_atomic": 0.043466476528230165,
"volume": 2668.7233303730404,
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"formula_full": "Na34 In24 Ga58",
"formula_reduced": "Na17In12Ga29",
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"energy": -302.15327838,
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"updated_at": "2021-11-28T01:38:20.563000Z",
"spacegroup": 227
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{
"id": "mp-1234",
"created_at": "2022-09-04T14:47:43.485861Z",
"structure_string": "Lu2 Al4\n1.0\n0.000000 3.881125 3.881125\n3.881125 0.000000 3.881125\n3.881125 3.881125 0.000000\nLu Al\n2 4\ndirect\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Lu\n0.625000 0.125000 0.625000 Al\n0.625000 0.625000 0.125000 Al\n0.125000 0.625000 0.625000 Al\n0.625000 0.625000 0.625000 Al\n",
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{
"id": "mp-16126",
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"structure_string": "Rb2 Na4 Ge34\n1.0\n0.000000 7.911575 7.911575\n7.911575 0.000000 7.911575\n7.911575 7.911575 0.000000\nRb Na Ge\n2 4 34\ndirect\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Rb\n0.125000 0.625000 0.625000 Na\n0.625000 0.625000 0.125000 Na\n0.625000 0.125000 0.625000 Na\n0.625000 0.625000 0.625000 Na\n0.390417 0.995051 0.619482 Ge\n0.390417 0.995051 0.995051 Ge\n0.619482 0.995051 0.995051 Ge\n0.859583 0.630518 0.254949 Ge\n0.254949 0.630518 0.254949 Ge\n0.630518 0.254949 0.859583 Ge\n0.254949 0.254949 0.859583 Ge\n0.630518 0.859583 0.254949 Ge\n0.859583 0.254949 0.630518 Ge\n0.254949 0.254949 0.630518 Ge\n0.254949 0.859583 0.254949 Ge\n0.619482 0.995051 0.390417 Ge\n0.995051 0.995051 0.390417 Ge\n0.995051 0.390417 0.619482 Ge\n0.995051 0.619482 0.390417 Ge\n0.390417 0.619482 0.995051 Ge\n0.995051 0.619482 0.995051 Ge\n0.859583 0.254949 0.254949 Ge\n0.630518 0.254949 0.254949 Ge\n0.254949 0.859583 0.630518 Ge\n0.407573 0.777282 0.407573 Ge\n0.842427 0.842427 0.472718 Ge\n0.472718 0.842427 0.842427 Ge\n0.842427 0.842427 0.842427 Ge\n0.777282 0.407573 0.407573 Ge\n0.407573 0.407573 0.407573 Ge\n0.407573 0.407573 0.777282 Ge\n0.842427 0.472718 0.842427 Ge\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Ge\n0.619482 0.390417 0.995051 Ge\n0.995051 0.995051 0.619482 Ge\n0.254949 0.630518 0.859583 Ge\n0.995051 0.390417 0.995051 Ge\n",
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