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{
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"results": [
{
"id": "mp-1025155",
"created_at": "2022-09-04T14:47:00.247051Z",
"structure_string": "Lu1 Ga5 Co1\n1.0\n4.205297 0.000000 0.000000\n0.000000 4.205297 0.000000\n0.000000 0.000000 6.751003\nLu Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.500000 0.307732 Ga\n0.000000 0.500000 0.692268 Ga\n0.500000 0.000000 0.307732 Ga\n0.500000 0.000000 0.692268 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
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"formula_full": "Lu1 Ga5 Co1",
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{
"id": "mp-30739",
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"structure_string": "Mg6 Ir2\n1.0\n2.288712 -3.964166 0.000000\n2.288712 3.964166 0.000000\n0.000000 0.000000 8.303636\nMg Ir\n6 2\ndirect\n0.000000 0.000000 0.250000 Mg\n0.000000 0.000000 0.750000 Mg\n0.333333 0.666667 0.577969 Mg\n0.666667 0.333333 0.077969 Mg\n0.666667 0.333333 0.422031 Mg\n0.333333 0.666667 0.922031 Mg\n0.333333 0.666667 0.250000 Ir\n0.666667 0.333333 0.750000 Ir\n",
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},
{
"id": "mp-552169",
"created_at": "2022-09-04T14:48:12.444602Z",
"structure_string": "Ag2 Cl2 O4\n1.0\n3.413121 -3.435029 0.000000\n3.413121 3.435029 0.000000\n0.000000 0.000000 7.022827\nAg Cl O\n2 2 4\ndirect\n0.750000 0.250000 0.889440 Ag\n0.250000 0.750000 0.110560 Ag\n0.250000 0.750000 0.664156 Cl\n0.750000 0.250000 0.335844 Cl\n0.430306 0.569694 0.808043 O\n0.569694 0.430306 0.191957 O\n0.930306 0.069694 0.191957 O\n0.069694 0.930306 0.808043 O\n",
"nsites": 8,
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"O"
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"chemical_system": "Ag-Cl-O",
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"density_atomic": 0.048580941629568136,
"volume": 164.67362985675246,
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"formula_full": "Ag2 Cl2 O4",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
"energy": -29.9112571,
"energy_per_atom": -3.7389071375,
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"updated_at": "2021-11-28T01:38:25.977000Z",
"spacegroup": 67
},
{
"id": "mp-1206362",
"created_at": "2022-09-04T14:45:08.874257Z",
"structure_string": "Hf1 Al1 Pt2\n1.0\n0.000000 3.229378 3.229378\n3.229378 0.000000 3.229378\n3.229378 3.229378 0.000000\nHf Al Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Hf-Pt",
"density": 14.68405401332012,
"density_atomic": 0.059384533427087036,
"volume": 67.35760591453064,
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"formula_full": "Hf1 Al1 Pt2",
"formula_reduced": "HfAlPt2",
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"energy": -29.9117404,
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"updated_at": "2021-11-28T01:36:50.389000Z",
"spacegroup": 225
},
{
"id": "mp-1187844",
"created_at": "2022-09-04T14:48:27.045983Z",
"structure_string": "Zr3 Pb1\n1.0\n-2.200531 2.200531 4.834293\n2.200531 -2.200531 4.834293\n2.200531 2.200531 -4.834293\nZr Pb\n3 1\ndirect\n0.750000 0.250000 0.500000 Zr\n0.250000 0.750000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pb-Zr",
"density": 8.527675088724052,
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"volume": 93.63709730098913,
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"formula_full": "Zr3 Pb1",
"formula_reduced": "Zr3Pb",
"formula_anonymous": "AB3",
"energy": -29.91192345,
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"updated_at": "2021-11-28T01:39:23.730000Z",
"spacegroup": 139
},
{
"id": "mp-1224922",
"created_at": "2022-09-04T14:45:03.712272Z",
"structure_string": "Ga1 Cu1 Sn1 Se4\n1.0\n-2.839577 2.839577 5.654585\n2.839577 -2.839577 5.654585\n2.839577 2.839577 -5.654585\nGa Cu Sn Se\n1 1 1 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.640616 0.644896 0.538360 Se\n0.106536 0.102256 0.461640 Se\n0.897744 0.359384 0.004280 Se\n0.355104 0.893464 0.995720 Se\n",
"nsites": 7,
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"elements": [
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"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Ga-Se-Sn",
"density": 5.170005322859549,
"density_atomic": 0.03838221309339457,
"volume": 182.3761434226593,
"volume_molar": 15.689925813674323,
"formula_full": "Ga1 Cu1 Sn1 Se4",
"formula_reduced": "GaCuSnSe4",
"formula_anonymous": "ABCD4",
"energy": -29.91196837,
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"updated_at": "2021-11-28T01:36:51.045000Z",
"spacegroup": 82
},
{
"id": "mp-1186598",
"created_at": "2022-09-04T14:44:16.505233Z",
"structure_string": "Pm1 Ho1 Ir2\n1.0\n0.000000 3.470484 3.470484\n3.470484 0.000000 3.470484\n3.470484 3.470484 0.000000\nPm Ho Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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"Ho",
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],
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"density": 13.792289319522993,
"density_atomic": 0.047847566656947775,
"volume": 83.59881765103668,
"volume_molar": 12.586096181602887,
"formula_full": "Pm1 Ho1 Ir2",
"formula_reduced": "PmHoIr2",
"formula_anonymous": "ABC2",
"energy": -29.91500187,
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"updated_at": "2021-11-28T01:36:36.199000Z",
"spacegroup": 225
},
{
"id": "mp-1246570",
"created_at": "2022-09-04T14:46:56.889334Z",
"structure_string": "Ca1 Ge2 N2\n1.0\n3.201682 0.000052 0.000585\n-1.600789 2.772568 0.000114\n-0.001001 -0.000196 8.850568\nCa Ge N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.666759 0.333433 0.196019 Ge\n0.333241 0.666567 0.803981 Ge\n0.666618 0.333280 0.679135 N\n0.333382 0.666720 0.320865 N\n",
"nsites": 5,
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"elements": [
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"Ge",
"N"
],
"chemical_system": "Ca-Ge-N",
"density": 4.509721029783836,
"density_atomic": 0.0636406164065936,
"volume": 78.56617805295119,
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"formula_full": "Ca1 Ge2 N2",
"formula_reduced": "Ca(GeN)2",
"formula_anonymous": "AB2C2",
"energy": -29.91605999,
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"updated_at": "2021-11-28T01:37:42.250000Z",
"spacegroup": 164
},
{
"id": "mp-1021380",
"created_at": "2022-09-04T14:46:35.041623Z",
"structure_string": "Mg12 Cd2 Sn2\n1.0\n5.079155 0.000000 0.000000\n0.000000 6.598577 0.000000\n0.000000 0.000000 10.893112\nMg Cd Sn\n12 2 2\ndirect\n0.500000 0.250207 0.083727 Mg\n0.500000 0.749793 0.083727 Mg\n0.000000 0.254550 0.917572 Mg\n0.000000 0.745450 0.917572 Mg\n0.000000 0.500000 0.164151 Mg\n0.000000 0.500000 0.666991 Mg\n0.500000 0.750207 0.583727 Mg\n0.500000 0.249793 0.583727 Mg\n0.000000 0.754550 0.417572 Mg\n0.000000 0.245450 0.417572 Mg\n0.000000 0.000000 0.664151 Mg\n0.000000 0.000000 0.166991 Mg\n0.500000 0.500000 0.833274 Cd\n0.500000 0.000000 0.333274 Cd\n0.500000 0.500000 0.332990 Sn\n0.500000 0.000000 0.832990 Sn\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.429021977888458,
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"volume": 365.0847767848851,
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"formula_full": "Mg12 Cd2 Sn2",
"formula_reduced": "Mg6CdSn",
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{
"id": "mp-10134",
"created_at": "2022-09-04T14:41:52.321556Z",
"structure_string": "Tm1 B1 Pd3\n1.0\n4.297151 0.000000 0.000000\n0.000000 4.297151 0.000000\n0.000000 0.000000 4.297151\nTm B Pd\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 B\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 5,
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"volume": 79.34907065360815,
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"spacegroup": 221
},
{
"id": "mp-1770",
"created_at": "2022-09-04T14:45:52.742499Z",
"structure_string": "Mg10 Ga4\n1.0\n-3.012441 3.514548 6.863148\n3.012441 -3.514548 6.863148\n3.012441 3.514548 -6.863148\nMg Ga\n10 4\ndirect\n0.570673 0.416416 0.154256 Mg\n0.429327 0.583584 0.845744 Mg\n0.737840 0.083584 0.654256 Mg\n0.262160 0.916416 0.345744 Mg\n0.000000 0.750000 0.750000 Mg\n0.000000 0.250000 0.250000 Mg\n0.767506 0.517506 0.750000 Mg\n0.232494 0.982494 0.750000 Mg\n0.232494 0.482494 0.250000 Mg\n0.767506 0.017506 0.250000 Mg\n0.141486 0.377466 0.764021 Ga\n0.858514 0.622534 0.235979 Ga\n0.386555 0.122534 0.264021 Ga\n0.613445 0.877466 0.735979 Ga\n",
"nsites": 14,
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"elements": [
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"chemical_system": "Ga-Mg",
"density": 2.981947261676928,
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"volume": 290.65070755541694,
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"formula_full": "Mg10 Ga4",
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"formula_anonymous": "A2B5",
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"updated_at": "2021-11-28T01:37:10.563000Z",
"spacegroup": 72
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{
"id": "mp-1222995",
"created_at": "2022-09-04T14:41:30.132662Z",
"structure_string": "La1 Mn1 Cu1 Ge2\n1.0\n-2.109288 2.109288 5.310158\n2.109288 -2.109288 5.310158\n2.109288 2.109288 -5.310158\nLa Mn Cu Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Cu\n0.622936 0.622936 0.000000 Ge\n0.377064 0.377064 0.000000 Ge\n",
"nsites": 5,
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"density": 7.075524686160022,
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"volume": 94.50160804247845,
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"formula_full": "La1 Mn1 Cu1 Ge2",
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"updated_at": "2021-11-28T01:35:25.312000Z",
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}
]
}