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{
"id": "mp-1094198",
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"structure_string": "Mg2 Zn4\n1.0\n2.417489 -4.555072 0.000000\n2.417489 4.555072 0.000000\n0.000000 0.000000 4.671581\nMg Zn\n2 4\ndirect\n0.700274 0.700274 0.750000 Mg\n0.299726 0.299726 0.250000 Mg\n0.985695 0.353104 0.750000 Zn\n0.353104 0.985695 0.750000 Zn\n0.646896 0.014305 0.250000 Zn\n0.014305 0.646896 0.250000 Zn\n",
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{
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{
"id": "mp-973100",
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"structure_string": "Sc1 Cu3\n1.0\n0.000000 3.052268 3.052268\n3.052268 0.000000 3.052268\n3.052268 3.052268 0.000000\nSc Cu\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Cu\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n",
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"updated_at": "2021-11-28T01:37:57.500000Z",
"spacegroup": 225
},
{
"id": "mp-1188575",
"created_at": "2022-09-04T14:47:10.134025Z",
"structure_string": "Sm10 Bi6\n1.0\n0.000000 0.000000 -6.493015\n-4.700927 -8.142245 0.000000\n-4.692649 8.137465 0.000000\nSm Bi\n10 6\ndirect\n0.500000 0.333323 0.666647 Sm\n0.500000 0.666676 0.333353 Sm\n0.000000 0.666677 0.333353 Sm\n0.000000 0.333324 0.666647 Sm\n0.749999 0.246428 0.000000 Sm\n0.750000 0.753698 0.753596 Sm\n0.750000 0.000102 0.246404 Sm\n0.249999 0.753572 0.000000 Sm\n0.250000 0.246302 0.246404 Sm\n0.250000 0.999898 0.753596 Sm\n0.749993 0.612293 0.000000 Bi\n0.750004 0.387786 0.387777 Bi\n0.750004 0.000009 0.612223 Bi\n0.249993 0.387707 0.000000 Bi\n0.250004 0.612214 0.612223 Bi\n0.250004 0.999991 0.387777 Bi\n",
"nsites": 16,
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"density": 9.222909152887745,
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"volume": 496.47103476328243,
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"formula_full": "Sm10 Bi6",
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"formula_anonymous": "A3B5",
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"updated_at": "2021-11-28T01:37:59.328000Z",
"spacegroup": 193
},
{
"id": "mp-1101861",
"created_at": "2022-09-04T14:47:07.792611Z",
"structure_string": "Mg8 Ni4\n1.0\n6.056503 0.000000 0.000000\n-0.010953 6.075102 0.000000\n-3.015567 -2.952264 6.147462\nMg Ni\n8 4\ndirect\n0.380730 0.671633 0.761855 Mg\n0.381092 0.171272 0.761923 Mg\n0.872800 0.664546 0.750601 Mg\n0.877810 0.164536 0.750334 Mg\n0.117779 0.420115 0.255864 Mg\n0.137721 0.919977 0.255456 Mg\n0.619036 0.393558 0.254761 Mg\n0.636101 0.893638 0.255217 Mg\n0.499044 0.290836 0.509086 Ni\n0.009932 0.790838 0.509086 Ni\n0.249632 0.538914 0.006723 Ni\n0.757124 0.038737 0.006695 Ni\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"chemical_system": "Mg-Ni",
"density": 3.1510203529187177,
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"formula_full": "Mg8 Ni4",
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"spacegroup": 9
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{
"id": "mp-1038937",
"created_at": "2022-09-04T14:47:07.703912Z",
"structure_string": "Ca4 Mg2\n1.0\n3.186033 -5.518370 0.000000\n3.186033 5.518370 0.000000\n0.000000 0.000000 5.968720\nCa Mg\n4 2\ndirect\n0.000000 0.653132 0.500000 Ca\n0.653132 0.000000 0.500000 Ca\n0.346868 0.346868 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n",
"nsites": 6,
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"formula_full": "Ca4 Mg2",
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"formula_anonymous": "AB2",
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},
{
"id": "mp-1094350",
"created_at": "2022-09-04T14:47:11.846849Z",
"structure_string": "Mg6 Ti6\n1.0\n4.800724 0.000000 0.000000\n0.000000 6.224458 0.000000\n0.000000 1.540101 7.945379\nMg Ti\n6 6\ndirect\n0.250000 0.471972 0.612861 Mg\n0.750000 0.528028 0.387139 Mg\n0.750000 0.865267 0.061685 Mg\n0.750000 0.357123 0.057141 Mg\n0.250000 0.642877 0.942859 Mg\n0.250000 0.134733 0.938315 Mg\n0.250000 0.974514 0.598798 Ti\n0.750000 0.025486 0.401202 Ti\n0.250000 0.827906 0.303430 Ti\n0.250000 0.267920 0.297875 Ti\n0.750000 0.732080 0.702125 Ti\n0.750000 0.172094 0.696570 Ti\n",
"nsites": 12,
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"formula_full": "Mg6 Ti6",
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{
"id": "mp-1129",
"created_at": "2022-09-04T14:47:11.818713Z",
"structure_string": "Sc1 Ir1\n1.0\n3.232512 0.000000 0.000000\n0.000000 3.232512 0.000000\n0.000000 0.000000 3.232512\nSc Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ir\n",
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"density": 11.65987101077144,
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{
"id": "mp-2654",
"created_at": "2022-09-04T14:47:06.701113Z",
"structure_string": "Al12 S18\n1.0\n3.305073 -5.724555 0.000000\n3.305073 5.724555 0.000000\n0.000000 0.000000 17.281428\nAl S\n12 18\ndirect\n0.658099 0.009349 0.549478 Al\n0.699344 0.005785 0.183853 Al\n0.005785 0.306441 0.017186 Al\n0.990651 0.648750 0.882811 Al\n0.009349 0.351250 0.382811 Al\n0.994215 0.693559 0.517186 Al\n0.648750 0.658099 0.716145 Al\n0.693559 0.699344 0.350520 Al\n0.306441 0.300656 0.850520 Al\n0.300656 0.994215 0.683853 Al\n0.351250 0.341901 0.216145 Al\n0.341901 0.990651 0.049478 Al\n0.339628 0.342898 0.348290 S\n0.665547 0.959101 0.040876 S\n0.040899 0.706446 0.374209 S\n0.653577 0.698991 0.494855 S\n0.334453 0.040899 0.540876 S\n0.660372 0.657102 0.848290 S\n0.657102 0.996730 0.681624 S\n0.301009 0.954586 0.828188 S\n0.045414 0.346423 0.161521 S\n0.954586 0.653577 0.661521 S\n0.342898 0.003270 0.181624 S\n0.698991 0.045414 0.328188 S\n0.706446 0.665547 0.207543 S\n0.003270 0.660372 0.014957 S\n0.346423 0.301009 0.994855 S\n0.959101 0.293554 0.874209 S\n0.293554 0.334453 0.707543 S\n0.996730 0.339628 0.514957 S\n",
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{
"id": "mp-974970",
"created_at": "2022-09-04T14:47:07.699886Z",
"structure_string": "Rb3 Mn1\n1.0\n-3.204383 3.204383 5.974817\n3.204383 -3.204383 5.974817\n3.204383 3.204383 -5.974817\nRb Mn\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Mn\n",
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{
"id": "mp-1936",
"created_at": "2022-09-04T14:47:08.084334Z",
"structure_string": "Ta2 As2\n1.0\n-1.734807 1.734807 5.867445\n1.734807 -1.734807 5.867445\n1.734807 1.734807 -5.867445\nTa As\n2 2\ndirect\n0.499936 0.999936 0.500000 Ta\n0.749936 0.749936 0.000000 Ta\n0.917764 0.417764 0.500000 As\n0.167764 0.167764 0.000000 As\n",
"nsites": 4,
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"spacegroup": 109
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{
"id": "mp-1094659",
"created_at": "2022-09-04T14:47:07.658254Z",
"structure_string": "Mg2 Ga4\n1.0\n1.557098 -7.347428 0.000000\n1.557098 7.347428 0.000000\n0.000000 0.000000 5.021647\nMg Ga\n2 4\ndirect\n0.440100 0.559900 0.250000 Mg\n0.559900 0.440100 0.750000 Mg\n0.113514 0.886486 0.250000 Ga\n0.773113 0.226887 0.250000 Ga\n0.226887 0.773113 0.750000 Ga\n0.886486 0.113514 0.750000 Ga\n",
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}
]
}