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{
"id": "mp-1028180",
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"structure_string": "Ca1 La1 Mg14\n1.0\n6.719349 0.000000 0.000000\n-3.359675 5.819126 0.000000\n0.000000 0.000000 10.434250\nCa La Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 Ca\n0.166667 0.333333 0.625000 La\n0.171202 0.835600 0.125000 Mg\n0.173614 0.836806 0.625000 Mg\n0.664400 0.328798 0.125000 Mg\n0.663194 0.326386 0.625000 Mg\n0.664400 0.835600 0.125000 Mg\n0.663194 0.836806 0.625000 Mg\n0.338203 0.161797 0.374134 Mg\n0.338203 0.161797 0.875866 Mg\n0.338203 0.676407 0.374134 Mg\n0.338203 0.676407 0.875866 Mg\n0.823593 0.161797 0.374134 Mg\n0.823593 0.161797 0.875866 Mg\n0.833333 0.666667 0.376491 Mg\n0.833333 0.666667 0.873509 Mg\n",
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{
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{
"id": "mp-1187143",
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"structure_string": "Sr1 Be1 O3\n1.0\n3.733877 0.000000 0.000000\n0.000000 3.733877 0.000000\n0.000000 0.000000 3.733877\nSr Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Sr1 Be1 O3",
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"updated_at": "2021-11-28T01:38:30.946000Z",
"spacegroup": 221
},
{
"id": "mp-644225",
"created_at": "2022-09-04T14:44:06.963211Z",
"structure_string": "Sr2 Mg1 H6\n1.0\n2.746219 -4.756592 0.000000\n2.746219 4.756592 0.000000\n0.000000 0.000000 4.206713\nSr Mg H\n2 1 6\ndirect\n0.666667 0.333333 0.262588 Sr\n0.333333 0.666667 0.737412 Sr\n0.000000 0.000000 0.000000 Mg\n0.822520 0.645040 0.764867 H\n0.822520 0.177480 0.764867 H\n0.354960 0.177480 0.764867 H\n0.177480 0.354960 0.235133 H\n0.177480 0.822520 0.235133 H\n0.645040 0.822520 0.235133 H\n",
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"energy": -30.22324081,
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{
"id": "mp-676121",
"created_at": "2022-09-04T14:39:59.956647Z",
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"volume": 271.07710159969986,
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"formula_full": "Ag6 S2 I2",
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"spacegroup": 1
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{
"id": "mp-1147573",
"created_at": "2022-09-04T14:42:14.659476Z",
"structure_string": "Ga2 Co1 S2 O2\n1.0\n-1.886226 1.886226 8.332635\n1.886226 -1.886226 8.332635\n1.886226 1.886226 -8.332635\nGa Co S O\n2 1 2 2\ndirect\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.000000 0.000000 0.000000 Co\n0.855779 0.855779 0.000000 S\n0.144221 0.144221 0.000000 S\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 7,
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"elements": [
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"S",
"O"
],
"chemical_system": "Co-Ga-O-S",
"density": 4.123978408086833,
"density_atomic": 0.05902938197415488,
"volume": 118.58501251232553,
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"formula_full": "Ga2 Co1 S2 O2",
"formula_reduced": "Ga2Co(SO)2",
"formula_anonymous": "AB2C2D2",
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{
"id": "mp-1221704",
"created_at": "2022-09-04T14:43:12.436784Z",
"structure_string": "Mn1 Co1 Pt2\n1.0\n2.761628 0.000000 0.000000\n0.000000 2.761628 0.000000\n0.000000 0.000000 7.348035\nMn Co Pt\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.241663 Pt\n0.500000 0.500000 0.758337 Pt\n",
"nsites": 4,
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"density_atomic": 0.07137702135239495,
"volume": 56.040444448524,
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"formula_full": "Mn1 Co1 Pt2",
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},
{
"id": "mp-1018046",
"created_at": "2022-09-04T14:45:33.915766Z",
"structure_string": "Mn1 Ga1 Fe2\n1.0\n2.846446 2.846446 0.000000\n2.846446 0.000000 -2.846446\n0.000000 2.846446 -2.846446\nMn Ga Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n",
"nsites": 4,
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"volume": 46.125261708883045,
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"formula_full": "Mn1 Ga1 Fe2",
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{
"id": "mp-865989",
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"structure_string": "Al2 Ir1 Ru1\n1.0\n0.000000 3.009635 3.009635\n3.009635 0.000000 3.009635\n3.009635 3.009635 0.000000\nAl Ir Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ru\n",
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{
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"structure_string": "Ho1 Tm1 Ru2\n1.0\n0.000000 3.368917 3.368917\n3.368917 0.000000 3.368917\n3.368917 3.368917 0.000000\nHo Tm Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
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"structure_string": "Eu1 Al2 Ge2\n1.0\n2.127211 -3.684438 0.000000\n2.127211 3.684438 0.000000\n0.000000 0.000000 7.186014\nEu Al Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.369910 Al\n0.333333 0.666667 0.630090 Al\n0.666667 0.333333 0.736087 Ge\n0.333333 0.666667 0.263913 Ge\n",
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{
"id": "mp-1026864",
"created_at": "2022-09-04T14:43:10.927174Z",
"structure_string": "Na1 Mg14 Co1\n1.0\n6.416775 0.000000 -0.000000\n-3.208387 5.557089 0.000000\n0.000000 -0.000000 9.838466\nNa Mg Co\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Na\n0.161704 0.830852 0.125000 Mg\n0.172581 0.836290 0.625000 Mg\n0.669148 0.338296 0.125000 Mg\n0.663710 0.327419 0.625000 Mg\n0.669148 0.830852 0.125000 Mg\n0.663710 0.836290 0.625000 Mg\n0.327234 0.172766 0.358598 Mg\n0.327234 0.172766 0.891402 Mg\n0.327234 0.654469 0.358598 Mg\n0.327234 0.654469 0.891402 Mg\n0.845531 0.172766 0.358598 Mg\n0.845531 0.172766 0.891402 Mg\n0.833333 0.666667 0.380083 Mg\n0.833333 0.666667 0.869917 Mg\n0.166667 0.333333 0.125000 Co\n",
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"density": 1.998336110937664,
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"formula_full": "Na1 Mg14 Co1",
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]
}