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{
"id": "mp-1196604",
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"formula_full": "Na4 Ce4 P8 H8 C4 O28",
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},
{
"id": "mp-961727",
"created_at": "2022-09-04T14:40:30.728601Z",
"structure_string": "Ta1 Ge1 Rh1\n1.0\n0.000000 3.048545 3.048545\n3.048545 0.000000 3.048545\n3.048545 3.048545 0.000000\nTa Ge Rh\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500000 Rh\n",
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"volume": 56.664077910396955,
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"formula_full": "Ta1 Ge1 Rh1",
"formula_reduced": "TaGeRh",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "mp-1095787",
"created_at": "2022-09-04T14:40:30.916938Z",
"structure_string": "Sc1 Ag1 Pd2\n1.0\n-4.887019 5.576805 7.882554\n4.887019 -5.576805 7.882554\n4.887019 5.576805 -7.882554\nSc Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.226435 0.226435 Pd\n0.000000 0.773565 0.773565 Pd\n",
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},
{
"id": "mp-1197103",
"created_at": "2022-09-04T14:40:30.641260Z",
"structure_string": "Ga4 P6 N6 O24\n1.0\n4.980744 7.434514 0.000000\n-4.980744 7.434514 0.000000\n0.000000 2.736389 8.479263\nGa P N O\n4 6 6 24\ndirect\n0.584930 0.721138 0.435727 Ga\n0.278862 0.415070 0.064273 Ga\n0.415070 0.278862 0.564273 Ga\n0.721138 0.584930 0.935727 Ga\n0.480839 0.519161 0.750000 P\n0.519161 0.480839 0.250000 P\n0.910312 0.614423 0.197245 P\n0.385577 0.089688 0.302755 P\n0.089688 0.385577 0.802755 P\n0.614423 0.910312 0.697245 P\n0.123429 0.876571 0.250000 N\n0.876571 0.123429 0.750000 N\n0.083784 0.754961 0.264903 N\n0.245039 0.916216 0.235097 N\n0.916216 0.245039 0.735097 N\n0.754961 0.083784 0.764903 N\n0.069923 0.470027 0.196422 O\n0.529973 0.930077 0.303578 O\n0.930077 0.529973 0.803578 O\n0.470027 0.069923 0.696422 O\n0.827913 0.679272 0.055595 O\n0.320728 0.172087 0.444405 O\n0.172087 0.320728 0.944405 O\n0.679272 0.827913 0.555595 O\n0.451597 0.682608 0.628520 O\n0.317392 0.548403 0.871480 O\n0.548403 0.317392 0.371480 O\n0.682608 0.451597 0.128520 O\n0.628198 0.482450 0.830445 O\n0.517550 0.371802 0.669555 O\n0.371802 0.517550 0.169555 O\n0.482450 0.628198 0.330445 O\n0.804754 0.600211 0.360505 O\n0.399789 0.195246 0.139495 O\n0.195246 0.399789 0.639495 O\n0.600211 0.804754 0.860505 O\n0.972633 0.782957 0.176022 O\n0.217043 0.027367 0.323978 O\n0.027367 0.217043 0.823978 O\n0.782957 0.972633 0.676022 O\n",
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"formula_full": "Ga4 P6 N6 O24",
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},
{
"id": "mp-1224579",
"created_at": "2022-09-04T14:40:30.642313Z",
"structure_string": "Hf10 Ni1 Sb5\n1.0\n0.000000 0.000000 5.564390\n-5.500003 5.500003 2.782195\n-5.500003 -5.500003 -2.782195\nHf Ni Sb\n10 1 5\ndirect\n0.932556 0.858634 0.708530 Hf\n0.082659 0.141366 0.291470 Hf\n0.417341 0.291470 0.141366 Hf\n0.567444 0.708530 0.858634 Hf\n0.224026 0.708530 0.141366 Hf\n0.791189 0.291470 0.858634 Hf\n0.275974 0.141366 0.708530 Hf\n0.708811 0.858634 0.291470 Hf\n0.250000 0.500000 0.500000 Hf\n0.750000 0.500000 0.500000 Hf\n0.250000 0.000000 0.000000 Ni\n0.335109 0.829782 0.500000 Sb\n0.664891 0.170218 0.500000 Sb\n0.835109 0.500000 0.170218 Sb\n0.164891 0.500000 0.829782 Sb\n0.750000 0.000000 0.000000 Sb\n",
"nsites": 16,
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],
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"density": 12.096669807522497,
"density_atomic": 0.04752767534495386,
"volume": 336.64596224984024,
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"formula_full": "Hf10 Ni1 Sb5",
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{
"id": "mp-26355",
"created_at": "2022-09-04T14:40:30.644575Z",
"structure_string": "Li2 Cr2 P8 O24\n1.0\n7.024237 4.722166 0.000000\n-7.024237 4.722166 0.000000\n0.000000 1.881210 7.462021\nLi Cr P O\n2 2 8 24\ndirect\n0.178927 0.485730 0.228314 Li\n0.485730 0.178927 0.728314 Li\n0.869378 0.125840 0.262659 Cr\n0.125840 0.869378 0.762659 Cr\n0.758169 0.421418 0.350071 P\n0.582447 0.232140 0.108114 P\n0.797781 0.956309 0.684373 P\n0.421418 0.758169 0.850071 P\n0.232140 0.582447 0.608114 P\n0.210622 0.057286 0.342777 P\n0.057286 0.210622 0.842777 P\n0.956309 0.797781 0.184373 P\n0.623525 0.339263 0.515724 O\n0.743001 0.004353 0.513917 O\n0.129270 0.885335 0.262152 O\n0.361221 0.908066 0.816966 O\n0.004353 0.743001 0.013917 O\n0.627904 0.848082 0.837528 O\n0.101450 0.644664 0.698394 O\n0.854763 0.910522 0.181685 O\n0.910522 0.854763 0.681685 O\n0.413354 0.672909 0.673367 O\n0.339263 0.623525 0.015724 O\n0.266861 0.596032 0.412549 O\n0.175709 0.379553 0.698628 O\n0.848082 0.627904 0.337528 O\n0.644664 0.101450 0.198394 O\n0.672909 0.413354 0.173367 O\n0.007802 0.259332 0.017057 O\n0.092909 0.155440 0.343386 O\n0.596032 0.266861 0.912549 O\n0.155440 0.092909 0.843386 O\n0.908066 0.361221 0.316966 O\n0.379553 0.175709 0.198628 O\n0.259332 0.007802 0.517057 O\n0.885335 0.129270 0.762152 O\n",
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"formula_full": "Li2 Cr2 P8 O24",
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{
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{
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{
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"structure_string": "Sm2 Ag2 Pb2\n1.0\n2.434191 -4.216142 0.000000\n2.434191 4.216142 0.000000\n0.000000 0.000000 7.625486\nSm Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.001499 Sm\n0.000000 0.000000 0.501499 Sm\n0.333333 0.666667 0.809411 Ag\n0.666667 0.333333 0.309411 Ag\n0.666667 0.333333 0.722090 Pb\n0.333333 0.666667 0.222090 Pb\n",
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