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{
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{
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{
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{
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{
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{
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"structure_string": "Na4 Ga4 Se8 O24\n1.0\n5.403048 0.000000 0.000000\n0.000000 7.964049 0.000000\n0.000000 0.000000 12.694239\nNa Ga Se O\n4 4 8 24\ndirect\n0.250000 0.489383 0.385311 Na\n0.250000 0.010617 0.885311 Na\n0.750000 0.510617 0.614689 Na\n0.750000 0.989383 0.114689 Na\n0.750000 0.799537 0.398419 Ga\n0.750000 0.700463 0.898419 Ga\n0.250000 0.200463 0.601581 Ga\n0.250000 0.299537 0.101581 Ga\n0.250000 0.789609 0.566484 Se\n0.250000 0.710391 0.066484 Se\n0.750000 0.210391 0.433516 Se\n0.750000 0.289609 0.933516 Se\n0.750000 0.509747 0.205805 Se\n0.750000 0.990253 0.705805 Se\n0.250000 0.490253 0.794195 Se\n0.250000 0.009747 0.294195 Se\n0.250000 0.991998 0.519905 O\n0.250000 0.508002 0.019905 O\n0.750000 0.008002 0.480095 O\n0.750000 0.491998 0.980095 O\n0.005059 0.700611 0.498052 O\n0.494941 0.799389 0.998052 O\n0.505059 0.299389 0.501948 O\n0.994941 0.200611 0.001948 O\n0.994941 0.299389 0.501948 O\n0.505059 0.200611 0.001948 O\n0.494941 0.700611 0.498052 O\n0.005059 0.799389 0.998052 O\n0.750000 0.566210 0.338122 O\n0.750000 0.933790 0.838122 O\n0.250000 0.433790 0.661878 O\n0.250000 0.066210 0.161878 O\n0.999566 0.372813 0.211570 O\n0.500434 0.127187 0.711570 O\n0.499566 0.627187 0.788430 O\n0.000434 0.872813 0.288430 O\n0.000434 0.627187 0.788430 O\n0.499566 0.872813 0.288430 O\n0.500434 0.372813 0.211570 O\n0.999566 0.127187 0.711570 O\n",
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{
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"structure_string": "Li2 Mn3 Co1 O8\n1.0\n5.095367 -2.930740 0.000000\n5.095367 2.930740 0.000000\n3.409672 0.000000 4.788125\nLi Mn Co O\n2 3 1 8\ndirect\n0.116764 0.116764 0.116764 Li\n0.499198 0.499199 0.499198 Li\n0.498890 0.498890 0.005742 Mn\n0.498890 0.005742 0.498890 Mn\n0.005742 0.498890 0.498890 Mn\n0.883257 0.883257 0.883257 Co\n0.262143 0.262143 0.262143 O\n0.709568 0.251745 0.251745 O\n0.251745 0.709568 0.251745 O\n0.251745 0.251745 0.709568 O\n0.746168 0.746168 0.289013 O\n0.746168 0.289013 0.746168 O\n0.289013 0.746168 0.746168 O\n0.740708 0.740708 0.740708 O\n",
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{
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"volume": 305.23834921994245,
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"formula_full": "Rb2 Na1 Lu1 Cl6",
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"updated_at": "2021-11-28T01:36:14.058000Z",
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{
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"formula_full": "Li8 V2 Cr6 O16",
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},
{
"id": "mp-1180817",
"created_at": "2022-09-04T14:43:07.107208Z",
"structure_string": "K1 Cu3 Ni1 Se4\n1.0\n6.040550 0.000000 0.000000\n0.000000 6.040550 0.000000\n0.000000 0.000000 6.040550\nK Cu Ni Se\n1 3 1 4\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Ni\n0.218102 0.218102 0.218102 Se\n0.781898 0.781898 0.218102 Se\n0.218102 0.781898 0.781898 Se\n0.781898 0.218102 0.781898 Se\n",
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"volume": 220.40906412146632,
"volume_molar": 14.748160099103732,
"formula_full": "K1 Cu3 Ni1 Se4",
"formula_reduced": "KCu3NiSe4",
"formula_anonymous": "ABC3D4",
"energy": -37.06941238,
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"spacegroup": 215
},
{
"id": "mp-1110746",
"created_at": "2022-09-04T14:43:10.587217Z",
"structure_string": "Rb2 Li1 Sb1 I6\n1.0\n0.000000 6.012260 6.012260\n6.012260 0.000000 6.012260\n6.012260 6.012260 0.000000\nRb Li Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.748396 0.251604 0.251604 I\n0.251604 0.251604 0.748396 I\n0.251604 0.748396 0.748396 I\n0.251604 0.748396 0.251604 I\n0.748396 0.251604 0.748396 I\n0.748396 0.748396 0.251604 I\n",
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],
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"density": 4.053658737367012,
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"volume": 434.65357475914243,
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"formula_full": "Rb2 Li1 Sb1 I6",
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]
}