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{
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{
"id": "mp-759819",
"created_at": "2022-09-04T14:43:01.484624Z",
"structure_string": "Li13 Mn17 O40\n1.0\n2.923707 5.065758 0.000000\n-2.923707 5.065758 0.000000\n0.000000 3.249915 23.817830\nLi Mn O\n13 17 40\ndirect\n0.771236 0.771236 0.177223 Li\n0.500000 0.500000 0.000000 Li\n0.823786 0.823786 0.028646 Li\n0.099612 0.099612 0.700415 Li\n0.971763 0.971763 0.578673 Li\n0.568969 0.568969 0.773181 Li\n0.176214 0.176214 0.971354 Li\n0.630373 0.630373 0.626143 Li\n0.028237 0.028237 0.421327 Li\n0.228764 0.228764 0.822777 Li\n0.369627 0.369627 0.373857 Li\n0.431031 0.431031 0.226819 Li\n0.900388 0.900388 0.299585 Li\n0.301746 0.301746 0.099380 Mn\n0.901781 0.901781 0.798346 Mn\n0.302365 0.795929 0.099549 Mn\n0.697635 0.204071 0.900451 Mn\n0.098219 0.098219 0.201654 Mn\n0.204071 0.697635 0.900451 Mn\n0.698254 0.698254 0.900620 Mn\n0.795929 0.302365 0.099549 Mn\n0.100001 0.600083 0.700447 Mn\n0.399917 0.899999 0.299553 Mn\n0.600083 0.100001 0.700447 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.899999 0.399917 0.299553 Mn\n0.297582 0.297582 0.602715 Mn\n0.702418 0.702418 0.397285 Mn\n0.412857 0.971596 0.146678 O\n0.971596 0.412857 0.146678 O\n0.634283 0.173501 0.058162 O\n0.452398 0.452398 0.142375 O\n0.853287 0.853287 0.942313 O\n0.587143 0.028404 0.853322 O\n0.173501 0.634283 0.058162 O\n0.633416 0.633416 0.058222 O\n0.826499 0.365717 0.941838 O\n0.366584 0.366584 0.941778 O\n0.970032 0.970032 0.147887 O\n0.936322 0.936322 0.658901 O\n0.751467 0.209297 0.751326 O\n0.365717 0.826499 0.941838 O\n0.146713 0.146713 0.057687 O\n0.547602 0.547602 0.857625 O\n0.028405 0.587143 0.853322 O\n0.991185 0.448087 0.648797 O\n0.029968 0.029968 0.852113 O\n0.433073 0.433073 0.652801 O\n0.169002 0.169002 0.548173 O\n0.209297 0.751467 0.751326 O\n0.766309 0.766309 0.747527 O\n0.171341 0.615992 0.546143 O\n0.828659 0.384008 0.453857 O\n0.448087 0.991185 0.648797 O\n0.645957 0.645957 0.543497 O\n0.063678 0.063678 0.341099 O\n0.263298 0.263298 0.741656 O\n0.384008 0.828659 0.453857 O\n0.830998 0.830998 0.451827 O\n0.233691 0.233691 0.252473 O\n0.566927 0.566927 0.347199 O\n0.008815 0.551913 0.351203 O\n0.615992 0.171341 0.546143 O\n0.736702 0.736702 0.258344 O\n0.354043 0.354043 0.456503 O\n0.551913 0.008815 0.351203 O\n0.248533 0.790703 0.248674 O\n0.790703 0.248533 0.248674 O\n",
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"volume": 705.5218579926997,
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"formula_full": "Li13 Mn17 O40",
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"energy": -521.6836343599999,
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},
{
"id": "mp-1206396",
"created_at": "2022-09-04T14:43:01.500246Z",
"structure_string": "Tm1 Cu1 Te2\n1.0\n-2.109115 -3.653094 0.000000\n-2.109115 3.653094 0.000000\n0.000000 0.000000 -6.642769\nTm Cu Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Cu\n0.666667 0.333333 0.725994 Te\n0.333333 0.666667 0.274006 Te\n",
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"formula_full": "Tm1 Cu1 Te2",
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"formula_anonymous": "ABC2",
"energy": -18.84147388,
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},
{
"id": "mp-755390",
"created_at": "2022-09-04T14:43:01.508425Z",
"structure_string": "Nb2 Fe2 O8\n1.0\n0.000000 0.000001 5.539637\n2.937273 -4.696498 0.000000\n5.738765 0.322451 0.000000\nNb Fe O\n2 2 8\ndirect\n0.000005 0.000000 0.000000 Nb\n0.500002 0.500000 0.000000 Nb\n0.750002 0.500000 0.499999 Fe\n0.250001 0.000000 0.500000 Fe\n0.250001 0.209959 0.080070 O\n0.750001 0.709953 0.080081 O\n0.250001 0.790041 0.919930 O\n0.750001 0.290047 0.919919 O\n0.500001 0.299383 0.401257 O\n0.999992 0.799374 0.401257 O\n0.999992 0.200625 0.598743 O\n0.500001 0.700617 0.598742 O\n",
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},
{
"id": "mp-1190037",
"created_at": "2022-09-04T14:43:01.510156Z",
"structure_string": "Nb6 Fe2 Se12\n1.0\n3.028088 -5.244803 0.000000\n3.028088 5.244803 0.000000\n0.000000 0.000000 12.640235\nNb Fe Se\n6 2 12\ndirect\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.333333 0.666667 0.001081 Nb\n0.666667 0.333333 0.998919 Nb\n0.666667 0.333333 0.501081 Nb\n0.333333 0.666667 0.498919 Nb\n0.333333 0.666667 0.250000 Fe\n0.666667 0.333333 0.750000 Fe\n0.332951 0.329116 0.366795 Se\n0.670884 0.003835 0.366795 Se\n0.996165 0.667049 0.366795 Se\n0.329116 0.332951 0.633205 Se\n0.003835 0.670884 0.633205 Se\n0.667049 0.996165 0.633205 Se\n0.667049 0.670884 0.866795 Se\n0.329116 0.996165 0.866795 Se\n0.003835 0.332951 0.866795 Se\n0.670884 0.667049 0.133205 Se\n0.996165 0.329116 0.133205 Se\n0.332951 0.003835 0.133205 Se\n",
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"volume": 401.49747308482847,
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"formula_full": "Nb6 Fe2 Se12",
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},
{
"id": "mp-568398",
"created_at": "2022-09-04T14:43:53.984707Z",
"structure_string": "Ca1 Bi1 Au1\n1.0\n0.000000 3.487388 3.487388\n3.487388 0.000000 3.487388\n3.487388 3.487388 0.000000\nCa Bi Au\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Bi\n0.750000 0.750000 0.750000 Au\n",
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{
"id": "mp-720670",
"created_at": "2022-09-04T14:43:01.460313Z",
"structure_string": "Na10 Zn7 Sn7 H24 S26 O12\n1.0\n11.063218 -6.382819 0.000000\n11.063218 6.382819 0.000000\n7.380711 0.000000 10.424024\nNa Zn Sn H S O\n10 7 7 24 26 12\ndirect\n0.749779 0.749779 0.749779 Na\n0.644266 0.644266 0.644266 Na\n0.650386 0.648769 0.060338 Na\n0.648769 0.060338 0.650386 Na\n0.060338 0.650386 0.648769 Na\n0.567910 0.141853 0.142727 Na\n0.141853 0.142727 0.567910 Na\n0.249732 0.249732 0.249732 Na\n0.142727 0.567910 0.141853 Na\n0.145209 0.145209 0.145209 Na\n0.924453 0.924453 0.924453 Zn\n0.923482 0.924023 0.224549 Zn\n0.924023 0.224549 0.923482 Zn\n0.224549 0.923482 0.924023 Zn\n0.740416 0.419124 0.421907 Zn\n0.421907 0.740416 0.419124 Zn\n0.419124 0.421907 0.740416 Zn\n0.749908 0.751157 0.249214 Sn\n0.751157 0.249214 0.749908 Sn\n0.249214 0.749908 0.751157 Sn\n0.762113 0.248668 0.239895 Sn\n0.426612 0.426612 0.426612 Sn\n0.239895 0.762113 0.248668 Sn\n0.248668 0.239895 0.762113 Sn\n0.923745 0.902613 0.647954 H\n0.902613 0.647954 0.923745 H\n0.923810 0.526745 0.902252 H\n0.902252 0.923810 0.526745 H\n0.647954 0.923745 0.902613 H\n0.922926 0.647458 0.526503 H\n0.899756 0.526113 0.647960 H\n0.526745 0.902252 0.923810 H\n0.647458 0.526503 0.922926 H\n0.647960 0.899756 0.526113 H\n0.526503 0.922926 0.647458 H\n0.526113 0.647960 0.899756 H\n0.421929 0.145898 0.403873 H\n0.403873 0.421929 0.145898 H\n0.423410 0.402005 0.025417 H\n0.402005 0.025417 0.423410 H\n0.145898 0.403873 0.421929 H\n0.424151 0.025866 0.147401 H\n0.404021 0.147242 0.026445 H\n0.025417 0.423410 0.402005 H\n0.147401 0.424151 0.025866 H\n0.147242 0.026445 0.404021 H\n0.025866 0.147401 0.424151 H\n0.026445 0.404021 0.147242 H\n0.999919 0.999919 0.999919 S\n0.923325 0.307380 0.714240 S\n0.714240 0.923325 0.307380 S\n0.923298 0.714799 0.056075 S\n0.804278 0.557335 0.425052 S\n0.714799 0.056075 0.923298 S\n0.805123 0.212074 0.556766 S\n0.557335 0.425052 0.804278 S\n0.307380 0.714240 0.923325 S\n0.800568 0.428090 0.213697 S\n0.425052 0.804278 0.557335 S\n0.924313 0.052353 0.307956 S\n0.556766 0.805123 0.212074 S\n0.503831 0.503831 0.503831 S\n0.428090 0.213697 0.800568 S\n0.713604 0.305121 0.055660 S\n0.212074 0.556766 0.805123 S\n0.560440 0.210864 0.421432 S\n0.056075 0.923298 0.714799 S\n0.213697 0.800568 0.428090 S\n0.421432 0.560440 0.210864 S\n0.307956 0.924313 0.052353 S\n0.210864 0.421432 0.560440 S\n0.305121 0.055660 0.713604 S\n0.052353 0.307956 0.924313 S\n0.055660 0.713604 0.305121 S\n0.879194 0.621164 0.879982 O\n0.879982 0.879194 0.621164 O\n0.882173 0.619306 0.621189 O\n0.621164 0.879982 0.879194 O\n0.621189 0.882173 0.619306 O\n0.619306 0.621189 0.882173 O\n0.379521 0.379280 0.119437 O\n0.379280 0.119437 0.379521 O\n0.119437 0.379521 0.379280 O\n0.378844 0.119691 0.120641 O\n0.119691 0.120641 0.378844 O\n0.120641 0.378844 0.119691 O\n",
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{
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"structure_string": "Ca4 Fe4 O8\n1.0\n3.326904 0.000000 0.000000\n0.834890 8.216339 0.000000\n0.097833 0.702746 8.771161\nCa Fe O\n4 4 8\ndirect\n0.185750 0.197720 0.961127 Ca\n0.814250 0.802280 0.038873 Ca\n0.129372 0.399884 0.271526 Ca\n0.870628 0.600116 0.728474 Ca\n0.316624 0.914929 0.731031 Fe\n0.655012 0.239996 0.638668 Fe\n0.344988 0.760004 0.361332 Fe\n0.683376 0.085071 0.268969 Fe\n0.248399 0.965627 0.178308 O\n0.319870 0.750800 0.581442 O\n0.680130 0.249200 0.418558 O\n0.751601 0.034373 0.821692 O\n0.339071 0.705557 0.893116 O\n0.153403 0.340612 0.724630 O\n0.660929 0.294443 0.106884 O\n0.846597 0.659388 0.275370 O\n",
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{
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{
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"structure_string": "Cs2 Na1 Pr1 Br6\n1.0\n0.000000 5.854102 5.854102\n5.854102 0.000000 5.854102\n5.854102 5.854102 0.000000\nCs Na Pr Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pr\n0.751738 0.248262 0.248262 Br\n0.248262 0.248262 0.751738 Br\n0.248262 0.751738 0.751738 Br\n0.248262 0.751738 0.248262 Br\n0.751738 0.248262 0.751738 Br\n0.751738 0.751738 0.248262 Br\n",
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