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{
"id": "mp-26125",
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"structure_string": "Li8 Fe4 P16 O48\n1.0\n9.391898 0.000000 0.000000\n0.000000 9.492046 0.000000\n0.000000 0.000000 10.139671\nLi Fe P O\n8 4 16 48\ndirect\n0.397121 0.003336 0.170277 Li\n0.602879 0.496664 0.670277 Li\n0.602879 0.996664 0.829723 Li\n0.397121 0.503336 0.329723 Li\n0.897121 0.996664 0.829723 Li\n0.897121 0.496664 0.670277 Li\n0.102879 0.003336 0.170277 Li\n0.102879 0.503336 0.329723 Li\n0.750000 0.987423 0.197196 Fe\n0.250000 0.512577 0.697196 Fe\n0.750000 0.487423 0.302804 Fe\n0.250000 0.012577 0.802804 Fe\n0.750000 0.194629 0.603250 P\n0.535704 0.706603 0.113755 P\n0.464296 0.793397 0.613755 P\n0.250000 0.305371 0.103250 P\n0.464296 0.293397 0.886245 P\n0.035704 0.793397 0.613755 P\n0.964296 0.706603 0.113755 P\n0.535704 0.206603 0.386245 P\n0.750000 0.694629 0.896750 P\n0.250000 0.726513 0.980101 P\n0.250000 0.226513 0.519899 P\n0.750000 0.773487 0.480101 P\n0.250000 0.805371 0.396750 P\n0.750000 0.273487 0.019899 P\n0.035704 0.293397 0.886245 P\n0.964296 0.206603 0.386245 P\n0.750000 0.851646 0.880441 O\n0.250000 0.148354 0.119559 O\n0.250000 0.143784 0.644165 O\n0.883052 0.645569 0.986312 O\n0.566299 0.112506 0.270184 O\n0.433701 0.887494 0.729816 O\n0.057226 0.636294 0.624788 O\n0.442774 0.136294 0.875212 O\n0.750000 0.614245 0.473555 O\n0.933701 0.612506 0.229816 O\n0.750000 0.114245 0.026445 O\n0.624635 0.827945 0.574333 O\n0.057226 0.136294 0.875212 O\n0.750000 0.356216 0.144165 O\n0.375365 0.172055 0.425667 O\n0.375365 0.672055 0.074333 O\n0.624635 0.327945 0.925667 O\n0.383052 0.854431 0.486312 O\n0.250000 0.643784 0.855835 O\n0.883052 0.145569 0.513688 O\n0.442774 0.636294 0.624788 O\n0.566299 0.612506 0.229816 O\n0.933701 0.112506 0.270184 O\n0.433701 0.387494 0.770184 O\n0.383052 0.354431 0.013688 O\n0.116948 0.854431 0.486312 O\n0.250000 0.385755 0.526445 O\n0.116948 0.354431 0.013688 O\n0.250000 0.399302 0.221458 O\n0.616948 0.145569 0.513688 O\n0.750000 0.856216 0.355835 O\n0.250000 0.648354 0.380441 O\n0.875365 0.327945 0.925667 O\n0.750000 0.100698 0.721458 O\n0.250000 0.885755 0.973555 O\n0.750000 0.600698 0.778542 O\n0.750000 0.351646 0.619559 O\n0.875365 0.827945 0.574333 O\n0.066299 0.387494 0.770184 O\n0.124635 0.672055 0.074333 O\n0.124635 0.172055 0.425667 O\n0.250000 0.899302 0.278542 O\n0.066299 0.887494 0.729816 O\n0.557226 0.363706 0.375212 O\n0.616948 0.645569 0.986312 O\n0.942774 0.363706 0.375212 O\n0.557226 0.863706 0.124788 O\n0.942774 0.863706 0.124788 O\n",
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"formula_full": "Li8 Fe4 P16 O48",
"formula_reduced": "Li2Fe(PO3)4",
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"energy": -569.66944012,
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{
"id": "mp-1209557",
"created_at": "2022-09-04T14:45:30.339208Z",
"structure_string": "Pr2 Hf4 F22\n1.0\n-3.899124 5.039113 5.549258\n3.899124 -5.039113 5.549258\n3.899124 5.039113 -5.549258\nPr Hf F\n2 4 22\ndirect\n0.750000 0.250000 0.500000 Pr\n0.250000 0.750000 0.500000 Pr\n0.680452 0.633962 0.314414 Hf\n0.319548 0.366038 0.685586 Hf\n0.180452 0.866038 0.046490 Hf\n0.819548 0.133962 0.953510 Hf\n0.705809 0.891820 0.340428 F\n0.294191 0.108180 0.659572 F\n0.551392 0.365382 0.659572 F\n0.948608 0.608180 0.813989 F\n0.448608 0.634618 0.340428 F\n0.051392 0.391820 0.186011 F\n0.794191 0.134618 0.186011 F\n0.205809 0.865382 0.813989 F\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n0.778819 0.871102 0.649921 F\n0.221181 0.128898 0.350079 F\n0.278819 0.628898 0.907717 F\n0.721181 0.371102 0.092283 F\n0.949369 0.736673 0.415734 F\n0.050631 0.263327 0.584266 F\n0.320939 0.533635 0.584266 F\n0.179061 0.763327 0.212697 F\n0.679061 0.466365 0.415734 F\n0.820939 0.236673 0.787303 F\n0.550631 0.966365 0.787303 F\n0.449369 0.033635 0.212697 F\n",
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{
"id": "mp-1184574",
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"structure_string": "Hg3 P1\n1.0\n0.000000 3.586310 3.586310\n3.586310 0.000000 3.586310\n3.586310 3.586310 0.000000\nHg P\n3 1\ndirect\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 P\n",
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"formula_full": "Hg3 P1",
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"updated_at": "2021-11-28T01:37:02.562000Z",
"spacegroup": 225
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{
"id": "mp-1217350",
"created_at": "2022-09-04T14:45:30.373828Z",
"structure_string": "Ti1 Fe2 Se4\n1.0\n1.728265 6.507297 0.000000\n-1.728265 6.507297 0.000000\n0.000000 2.750264 5.505642\nTi Fe Se\n1 2 4\ndirect\n0.253672 0.253672 0.691186 Ti\n0.001302 0.001302 0.997081 Fe\n0.743976 0.743976 0.307363 Fe\n0.638862 0.638862 0.036671 Se\n0.360594 0.360594 0.986701 Se\n0.892606 0.892606 0.439301 Se\n0.108988 0.108988 0.541698 Se\n",
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"formula_full": "Ti1 Fe2 Se4",
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"energy": -44.55888372,
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{
"id": "mp-1078891",
"created_at": "2022-09-04T14:45:30.612173Z",
"structure_string": "Sm2 Ni4 B4\n1.0\n2.688321 4.226812 0.000000\n-2.688321 4.226812 0.000000\n0.000000 4.134700 5.468042\nSm Ni B\n2 4 4\ndirect\n0.120043 0.879957 0.750000 Sm\n0.879957 0.120043 0.250000 Sm\n0.468315 0.280102 0.699967 Ni\n0.719898 0.531685 0.800033 Ni\n0.531685 0.719898 0.300033 Ni\n0.280102 0.468315 0.199967 Ni\n0.153538 0.503910 0.523378 B\n0.496090 0.846462 0.976622 B\n0.846462 0.496090 0.476622 B\n0.503910 0.153538 0.023378 B\n",
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"volume": 124.26702282586913,
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"formula_full": "Sm2 Ni4 B4",
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{
"id": "mp-1218005",
"created_at": "2022-09-04T14:45:31.022872Z",
"structure_string": "Ta2 Ti2 Cu3 O12\n1.0\n3.759123 5.288172 0.000000\n-3.759123 5.288172 0.000000\n0.000000 5.285261 5.332120\nTa Ti Cu O\n2 2 3 12\ndirect\n0.500000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.183787 0.183787 0.505492 O\n0.816213 0.816213 0.494508 O\n0.818818 0.818818 0.870410 O\n0.181182 0.181182 0.129590 O\n0.506713 0.871852 0.311013 O\n0.493287 0.128148 0.688987 O\n0.871852 0.506713 0.311013 O\n0.128148 0.493287 0.688987 O\n0.310497 0.688951 0.182751 O\n0.689503 0.311049 0.817249 O\n0.311049 0.689503 0.817249 O\n0.688951 0.310497 0.182751 O\n",
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{
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"created_at": "2022-09-04T14:45:30.335362Z",
"structure_string": "Cs8 As4 H20 O24\n1.0\n-7.021073 0.000000 3.936467\n0.195408 0.000000 -8.558760\n0.000000 -14.421856 0.000000\nCs As H O\n8 4 20 24\ndirect\n0.258913 0.755366 0.233479 Cs\n0.741087 0.744634 0.733479 Cs\n0.741087 0.244634 0.766521 Cs\n0.258913 0.255366 0.266521 Cs\n0.749960 0.753524 0.416852 Cs\n0.250040 0.746476 0.916852 Cs\n0.250040 0.246476 0.583148 Cs\n0.749960 0.253524 0.083148 Cs\n0.745419 0.236444 0.358989 As\n0.254581 0.263556 0.858989 As\n0.254581 0.763556 0.641011 As\n0.745419 0.736444 0.141011 As\n0.148231 0.948447 0.081723 H\n0.851769 0.551553 0.581723 H\n0.851769 0.051553 0.918277 H\n0.148231 0.448447 0.418277 H\n0.348573 0.048824 0.416801 H\n0.651427 0.451176 0.916801 H\n0.651427 0.951176 0.583199 H\n0.348573 0.548824 0.083199 H\n0.775775 0.482838 0.265638 H\n0.224225 0.017162 0.765638 H\n0.224225 0.517162 0.734362 H\n0.775775 0.982838 0.234362 H\n0.179087 0.874815 0.467355 H\n0.820913 0.625185 0.967355 H\n0.820913 0.125185 0.532645 H\n0.179087 0.374815 0.032645 H\n0.315830 0.122387 0.029872 H\n0.684170 0.377613 0.529872 H\n0.684170 0.877613 0.970128 H\n0.315830 0.622387 0.470128 H\n0.866083 0.442391 0.292114 O\n0.133917 0.057609 0.792114 O\n0.133917 0.557609 0.707886 O\n0.866083 0.942391 0.207886 O\n0.570882 0.245398 0.422831 O\n0.429118 0.254602 0.922831 O\n0.429118 0.754602 0.577169 O\n0.570882 0.745398 0.077169 O\n0.651621 0.061810 0.280372 O\n0.348379 0.438190 0.780372 O\n0.348379 0.938190 0.719628 O\n0.651621 0.561810 0.219628 O\n0.925795 0.241656 0.423791 O\n0.074205 0.258344 0.923791 O\n0.074205 0.758344 0.576209 O\n0.925795 0.741656 0.076209 O\n0.210110 0.949642 0.410317 O\n0.789890 0.550358 0.910317 O\n0.789890 0.050358 0.589683 O\n0.210110 0.449642 0.089683 O\n0.286896 0.047425 0.086542 O\n0.713104 0.452575 0.586542 O\n0.713104 0.952575 0.913458 O\n0.286896 0.547425 0.413458 O\n",
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{
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{
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{
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{
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]
}