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{
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{
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{
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"structure_string": "Li1 La1 Mg6 O8\n1.0\n8.910750 -0.000000 0.000000\n-0.000000 4.483448 0.000000\n0.000000 0.000000 4.483448\nLi La Mg O\n1 1 6 8\ndirect\n0.000000 0.000000 -0.000000 Li\n0.500000 0.000000 -0.000000 La\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.221142 0.000000 0.500000 Mg\n0.778858 -0.000000 0.500000 Mg\n0.221142 0.500000 0.000000 Mg\n0.778858 0.500000 -0.000000 Mg\n0.234330 0.000000 0.000000 O\n0.765670 -0.000000 -0.000000 O\n0.253300 0.500000 0.500000 O\n0.746700 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
"id": "mp-1210374",
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"structure_string": "Na8 Sm4 Cl20\n1.0\n0.000000 0.000000 -7.786219\n0.000000 -8.392996 0.000000\n-12.171879 0.000000 0.000000\nNa Sm Cl\n8 4 20\ndirect\n0.542478 0.496407 0.672482 Na\n0.457522 0.503593 0.327518 Na\n0.042478 0.503593 0.827518 Na\n0.457522 0.996407 0.327518 Na\n0.957522 0.496407 0.172482 Na\n0.542478 0.003593 0.672482 Na\n0.957522 0.003593 0.172482 Na\n0.042478 0.996407 0.827518 Na\n0.582069 0.750000 0.992463 Sm\n0.417931 0.250000 0.007537 Sm\n0.082069 0.250000 0.507537 Sm\n0.917931 0.750000 0.492463 Sm\n0.366420 0.750000 0.814232 Cl\n0.633580 0.250000 0.185768 Cl\n0.866420 0.250000 0.685768 Cl\n0.133580 0.750000 0.314232 Cl\n0.667948 0.454816 0.915507 Cl\n0.332052 0.545184 0.084493 Cl\n0.167948 0.545184 0.584493 Cl\n0.332052 0.954816 0.084493 Cl\n0.832052 0.454816 0.415507 Cl\n0.667948 0.045184 0.915507 Cl\n0.832052 0.045184 0.415507 Cl\n0.167948 0.954816 0.584493 Cl\n0.939529 0.750000 0.996375 Cl\n0.060471 0.250000 0.003625 Cl\n0.439529 0.250000 0.503625 Cl\n0.560471 0.750000 0.496375 Cl\n0.830810 0.750000 0.712616 Cl\n0.169190 0.250000 0.287384 Cl\n0.330810 0.250000 0.787384 Cl\n0.669190 0.750000 0.212616 Cl\n",
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{
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"structure_string": "Mg4 Si4 Ni4 O16\n1.0\n4.795608 0.000000 0.000000\n0.000000 6.017907 0.000000\n0.000000 0.000000 10.230551\nMg Si Ni O\n4 4 4 16\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.927967 0.750000 0.594358 Si\n0.572033 0.750000 0.094358 Si\n0.072033 0.250000 0.405642 Si\n0.427967 0.250000 0.905642 Si\n0.492432 0.750000 0.774341 Ni\n0.007568 0.750000 0.274341 Ni\n0.507568 0.250000 0.225659 Ni\n0.992432 0.250000 0.725659 Ni\n0.719787 0.750000 0.945993 O\n0.780213 0.750000 0.445993 O\n0.280213 0.250000 0.054007 O\n0.219787 0.250000 0.554007 O\n0.267603 0.750000 0.592231 O\n0.232397 0.750000 0.092231 O\n0.732397 0.250000 0.407769 O\n0.767603 0.250000 0.907769 O\n0.774821 0.968824 0.662492 O\n0.725179 0.531176 0.162492 O\n0.225179 0.468824 0.337508 O\n0.274821 0.031176 0.837508 O\n0.225179 0.031176 0.337508 O\n0.274821 0.468824 0.837508 O\n0.774821 0.531176 0.662492 O\n0.725179 0.968824 0.162492 O\n",
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{
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"density": 3.0074491988357326,
"density_atomic": 0.08015990343587351,
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"formula_full": "Cr4 P8 O28",
"formula_reduced": "CrP2O7",
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"spacegroup": 12
},
{
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"created_at": "2022-09-04T14:45:13.859942Z",
"structure_string": "Ga6 B2\n1.0\n3.531653 -6.117003 0.000000\n3.531653 6.117003 0.000000\n0.000000 0.000000 3.165379\nGa B\n6 2\ndirect\n0.195601 0.391202 0.250000 Ga\n0.608798 0.804399 0.250000 Ga\n0.195601 0.804399 0.250000 Ga\n0.804399 0.608798 0.750000 Ga\n0.391202 0.195601 0.750000 Ga\n0.804399 0.195601 0.750000 Ga\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n",
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"elements": [
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"volume": 136.76420070847342,
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"formula_full": "Ga6 B2",
"formula_reduced": "Ga3B",
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"updated_at": "2021-11-28T01:36:59.135000Z",
"spacegroup": 194
},
{
"id": "mp-1043069",
"created_at": "2022-09-04T14:45:13.862603Z",
"structure_string": "Zn1 Cr4 Cu3 O12\n1.0\n5.988620 0.000492 -2.117117\n-2.996584 5.198793 -2.124779\n2.997025 5.198517 2.123538\nZn Cr Cu O\n1 4 3 12\ndirect\n0.999999 0.000001 0.999998 Zn\n0.500017 0.500006 0.499994 Cr\n0.999995 0.500004 0.000002 Cr\n0.000008 0.000000 0.499990 Cr\n0.499987 0.999993 0.000021 Cr\n0.500004 0.500004 0.999994 Cu\n0.499993 0.999998 0.500003 Cu\n0.999997 0.499997 0.500006 Cu\n0.691116 0.170056 0.140696 O\n0.308888 0.829946 0.859306 O\n0.310441 0.169445 0.520283 O\n0.140998 0.310323 0.169448 O\n0.168150 0.859239 0.310777 O\n0.830679 0.520205 0.310332 O\n0.521088 0.689233 0.170039 O\n0.831848 0.140758 0.689215 O\n0.689557 0.830553 0.479717 O\n0.859001 0.689677 0.830551 O\n0.169324 0.479798 0.689665 O\n0.478911 0.310765 0.829963 O\n",
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"chemical_system": "Cr-Cu-O-Zn",
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"formula_full": "Zn1 Cr4 Cu3 O12",
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"updated_at": "2021-11-28T01:36:56.358000Z",
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{
"id": "mp-1222741",
"created_at": "2022-09-04T14:45:13.864158Z",
"structure_string": "La2 Y2\n1.0\n1.838049 -3.183594 0.000000\n1.838049 3.183594 0.000000\n0.000000 0.000000 11.912622\nLa Y\n2 2\ndirect\n0.333333 0.666667 0.750000 La\n0.666667 0.333333 0.250000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.000000 0.500000 Y\n",
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"elements": [
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]
}