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{
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{
"id": "mp-26963",
"created_at": "2022-09-04T14:45:20.834747Z",
"structure_string": "Li4 V4 P4 O20\n1.0\n6.367929 0.000000 0.000000\n0.000000 7.294422 0.000000\n0.000000 0.000000 7.553979\nLi V P O\n4 4 4 20\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.250000 0.219433 0.671049 V\n0.250000 0.280567 0.171049 V\n0.750000 0.780567 0.328951 V\n0.750000 0.719433 0.828951 V\n0.250000 0.623748 0.874496 P\n0.250000 0.876252 0.374496 P\n0.750000 0.376252 0.125504 P\n0.750000 0.123748 0.625504 P\n0.250000 0.990178 0.544179 O\n0.250000 0.509822 0.044179 O\n0.750000 0.009822 0.455821 O\n0.750000 0.490178 0.955821 O\n0.556382 0.253149 0.628762 O\n0.943618 0.246851 0.128762 O\n0.056382 0.746851 0.371238 O\n0.443618 0.753149 0.871238 O\n0.443618 0.746851 0.371238 O\n0.056382 0.753149 0.871238 O\n0.943618 0.253149 0.628762 O\n0.556382 0.246851 0.128762 O\n0.250000 0.499054 0.707092 O\n0.250000 0.000946 0.207092 O\n0.750000 0.500946 0.292908 O\n0.750000 0.999054 0.792908 O\n0.250000 0.153938 0.886667 O\n0.250000 0.346062 0.386667 O\n0.750000 0.846062 0.113333 O\n0.750000 0.653938 0.613333 O\n",
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{
"id": "mp-21413",
"created_at": "2022-09-04T14:45:20.835102Z",
"structure_string": "Rb2 Mn2 P2\n1.0\n3.838382 0.000000 0.000000\n0.000000 3.838382 0.000000\n0.000000 0.000000 11.460974\nRb Mn P\n2 2 2\ndirect\n0.000000 0.500000 0.284128 Rb\n0.500000 0.000000 0.715872 Rb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.894677 P\n0.500000 0.000000 0.105323 P\n",
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"formula_full": "Rb2 Mn2 P2",
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"updated_at": "2021-11-28T01:36:56.516000Z",
"spacegroup": 129
},
{
"id": "mp-1200785",
"created_at": "2022-09-04T14:45:20.378785Z",
"structure_string": "U8 S16 O64\n1.0\n9.066404 0.000000 0.000000\n0.000000 9.525622 0.000000\n0.000000 0.000000 13.666655\nU S O\n8 16 64\ndirect\n0.780782 0.035469 0.103983 U\n0.719218 0.535469 0.896017 U\n0.280782 0.964531 0.396017 U\n0.219218 0.464531 0.603983 U\n0.219218 0.964531 0.896017 U\n0.280782 0.464531 0.103983 U\n0.719218 0.035469 0.603983 U\n0.780782 0.535469 0.396017 U\n0.996442 0.722888 0.057290 S\n0.503558 0.222888 0.942710 S\n0.496442 0.277112 0.442710 S\n0.003558 0.777112 0.557290 S\n0.003558 0.277112 0.942710 S\n0.496442 0.777112 0.057290 S\n0.503558 0.722888 0.557290 S\n0.996442 0.222888 0.442710 S\n0.820290 0.895693 0.844491 S\n0.679710 0.395693 0.155509 S\n0.320289 0.104307 0.655509 S\n0.179710 0.604307 0.344491 S\n0.179710 0.104307 0.155509 S\n0.320289 0.604307 0.844491 S\n0.679710 0.895693 0.344491 S\n0.820290 0.395693 0.655509 S\n0.893637 0.805079 0.119347 O\n0.606363 0.305079 0.880653 O\n0.393637 0.194921 0.380653 O\n0.106363 0.694921 0.619347 O\n0.106363 0.194921 0.880653 O\n0.393637 0.694921 0.119347 O\n0.606363 0.805079 0.619347 O\n0.893637 0.305079 0.380653 O\n0.916455 0.642737 0.981158 O\n0.583545 0.142737 0.018842 O\n0.416455 0.357263 0.518842 O\n0.083545 0.857263 0.481158 O\n0.083545 0.357263 0.018842 O\n0.416455 0.857263 0.981158 O\n0.583545 0.642737 0.481158 O\n0.916455 0.142737 0.518842 O\n0.081341 0.622709 0.118855 O\n0.418659 0.122709 0.881145 O\n0.581341 0.377291 0.381145 O\n0.918659 0.877291 0.618855 O\n0.918659 0.377291 0.881145 O\n0.581341 0.877291 0.118855 O\n0.418659 0.622709 0.618855 O\n0.081341 0.122709 0.381145 O\n0.100599 0.822802 0.009566 O\n0.399401 0.322802 0.990434 O\n0.600599 0.177198 0.490434 O\n0.899401 0.677198 0.509566 O\n0.899401 0.177198 0.990434 O\n0.600599 0.677198 0.009566 O\n0.399401 0.822802 0.509566 O\n0.100599 0.322802 0.490434 O\n0.771160 0.927034 0.945286 O\n0.728840 0.427034 0.054714 O\n0.271160 0.072966 0.554714 O\n0.228840 0.572966 0.445286 O\n0.228840 0.072966 0.054714 O\n0.271160 0.572966 0.945286 O\n0.728840 0.927034 0.445286 O\n0.771160 0.427034 0.554714 O\n0.746340 0.990404 0.773440 O\n0.753660 0.490404 0.226560 O\n0.246340 0.009596 0.726560 O\n0.253660 0.509596 0.273440 O\n0.253660 0.009596 0.226560 O\n0.246340 0.509596 0.773440 O\n0.753660 0.990404 0.273440 O\n0.746340 0.490404 0.726560 O\n0.779055 0.747847 0.820259 O\n0.720945 0.247847 0.179741 O\n0.279055 0.252153 0.679741 O\n0.220945 0.752153 0.320259 O\n0.220945 0.252153 0.179741 O\n0.279055 0.752153 0.820259 O\n0.720945 0.747847 0.320259 O\n0.779055 0.247847 0.679741 O\n0.982476 0.914526 0.835808 O\n0.517524 0.414526 0.164192 O\n0.482476 0.085474 0.664192 O\n0.017524 0.585474 0.335808 O\n0.017524 0.085474 0.164192 O\n0.482476 0.585474 0.835808 O\n0.517524 0.914526 0.335808 O\n0.982476 0.414526 0.664192 O\n",
"nsites": 88,
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"elements": [
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],
"chemical_system": "O-S-U",
"density": 4.841417314108354,
"density_atomic": 0.07455761891683646,
"volume": 1180.2952036083332,
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"formula_full": "U8 S16 O64",
"formula_reduced": "U(SO4)2",
"formula_anonymous": "AB2C8",
"energy": -680.63719664,
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},
{
"id": "mp-1202942",
"created_at": "2022-09-04T14:45:20.822107Z",
"structure_string": "Mn6 P6 Pb2 O24\n1.0\n-3.369274 5.230357 7.048082\n3.369274 -5.230357 7.048082\n3.369274 5.230357 -7.048082\nMn P Pb O\n6 6 2 24\ndirect\n0.618092 0.618092 0.500000 Mn\n0.881908 0.381908 0.000000 Mn\n0.118092 0.618092 0.000000 Mn\n0.381908 0.381908 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.750000 0.344706 0.594706 P\n0.250000 0.655294 0.405294 P\n0.823179 0.823179 0.500000 P\n0.676821 0.176821 0.000000 P\n0.323179 0.823179 0.000000 P\n0.176821 0.176821 0.500000 P\n0.750000 0.865517 0.115517 Pb\n0.250000 0.134483 0.884483 Pb\n0.660448 0.123747 0.463300 O\n0.339552 0.876253 0.536700 O\n0.160448 0.697148 0.536700 O\n0.839552 0.302852 0.463300 O\n0.631703 0.487658 0.619362 O\n0.131703 0.512342 0.144045 O\n0.368297 0.512342 0.380638 O\n0.868297 0.487658 0.855955 O\n0.926109 0.060891 0.720497 O\n0.659605 0.939109 0.865217 O\n0.426109 0.705612 0.865217 O\n0.159605 0.294388 0.720497 O\n0.073891 0.939109 0.279503 O\n0.340395 0.060891 0.134783 O\n0.573891 0.294388 0.134783 O\n0.840395 0.705612 0.279503 O\n0.638502 0.800840 0.440132 O\n0.639292 0.199160 0.837662 O\n0.138502 0.698370 0.837662 O\n0.139292 0.301630 0.440132 O\n0.361498 0.199160 0.559868 O\n0.360708 0.800840 0.162338 O\n0.861498 0.301630 0.162338 O\n0.860708 0.698370 0.559868 O\n",
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],
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"volume": 496.81946512818007,
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"formula_full": "Mn6 P6 Pb2 O24",
"formula_reduced": "Mn3P3PbO12",
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"energy": -308.16133875,
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"spacegroup": 74
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{
"id": "mp-510487",
"created_at": "2022-09-04T14:45:20.826112Z",
"structure_string": "Ce2 Mn2 Sb2 O2\n1.0\n4.202117 0.000000 0.000000\n0.000000 4.202117 0.000000\n0.000000 0.000000 9.500179\nCe Mn Sb O\n2 2 2 2\ndirect\n0.500000 0.000000 0.119423 Ce\n0.000000 0.500000 0.880577 Ce\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.698750 Sb\n0.000000 0.500000 0.301250 Sb\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"volume": 167.75213991996895,
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"formula_full": "Ce2 Mn2 Sb2 O2",
"formula_reduced": "CeMnSbO",
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"energy": -62.56417177,
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"spacegroup": 129
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{
"id": "mp-807965",
"created_at": "2022-09-04T14:45:20.847330Z",
"structure_string": "Li8 Mn2 Fe6 P8 O32\n1.0\n10.517033 0.000000 0.000000\n-0.010781 7.740456 0.000000\n-0.007302 -1.868557 7.500361\nLi Mn Fe P O\n8 2 6 8 32\ndirect\n0.750485 0.500511 0.749839 Li\n0.500000 0.500000 0.000000 Li\n0.249515 0.499489 0.250161 Li\n0.000000 0.500000 0.500000 Li\n0.750372 0.999485 0.250031 Li\n0.500000 0.000000 0.500000 Li\n0.249628 0.000515 0.749969 Li\n0.000000 0.000000 0.000000 Li\n0.385290 0.717581 0.635761 Mn\n0.614710 0.282419 0.364239 Mn\n0.387207 0.782607 0.137000 Fe\n0.887603 0.782573 0.637863 Fe\n0.886978 0.717563 0.136571 Fe\n0.113022 0.282437 0.863429 Fe\n0.612793 0.217393 0.863000 Fe\n0.112397 0.217427 0.362137 Fe\n0.667364 0.904930 0.917396 P\n0.164658 0.905721 0.414613 P\n0.668746 0.596606 0.416607 P\n0.166317 0.595525 0.918414 P\n0.833683 0.404475 0.081586 P\n0.331254 0.403394 0.583393 P\n0.835342 0.094279 0.585387 P\n0.332636 0.095070 0.082604 P\n0.271259 0.957953 0.021124 O\n0.772372 0.957630 0.522370 O\n0.003613 0.902191 0.253687 O\n0.505537 0.902039 0.755701 O\n0.631941 0.834581 0.084852 O\n0.333169 0.835721 0.379569 O\n0.834930 0.834606 0.882095 O\n0.129711 0.835829 0.582987 O\n0.336406 0.665156 0.887496 O\n0.130393 0.665032 0.086539 O\n0.637291 0.666005 0.586256 O\n0.836511 0.665830 0.380075 O\n0.505502 0.599175 0.256842 O\n0.006594 0.599399 0.755501 O\n0.270544 0.540742 0.522218 O\n0.772893 0.542000 0.021213 O\n0.729456 0.459258 0.477782 O\n0.227107 0.458000 0.978787 O\n0.494498 0.400825 0.743158 O\n0.993406 0.400601 0.244499 O\n0.869607 0.334968 0.913461 O\n0.663594 0.334844 0.112504 O\n0.362709 0.333995 0.413744 O\n0.163489 0.334170 0.619925 O\n0.666831 0.164279 0.620431 O\n0.368059 0.165419 0.915148 O\n0.870289 0.164171 0.417013 O\n0.165070 0.165394 0.117905 O\n0.996387 0.097809 0.746313 O\n0.494463 0.097961 0.244299 O\n0.728741 0.042047 0.978876 O\n0.227628 0.042370 0.477630 O\n",
"nsites": 56,
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],
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"formula_full": "Li8 Mn2 Fe6 P8 O32",
"formula_reduced": "Li4MnFe3(PO4)4",
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"updated_at": "2021-11-28T01:37:01.929000Z",
"spacegroup": 2
},
{
"id": "mp-1009490",
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"structure_string": "O2\n1.0\n2.364873 2.362370 0.000000\n-2.364873 2.362370 0.000000\n0.000000 2.006947 4.167954\nO\n2\ndirect\n0.937265 0.937265 0.147913 O\n0.062735 0.062735 0.852087 O\n",
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{
"id": "mp-757970",
"created_at": "2022-09-04T14:45:20.932324Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n4.833260 0.000000 0.000000\n0.000000 6.397438 0.000000\n0.000000 0.000000 9.863151\nLi Ni P O\n4 4 4 16\ndirect\n0.430850 0.772289 0.169149 Li\n0.569150 0.272289 0.330851 Li\n0.069150 0.227711 0.669149 Li\n0.930850 0.727711 0.830851 Li\n0.982250 0.042246 0.021439 Ni\n0.017750 0.542246 0.478561 Ni\n0.517750 0.957754 0.521439 Ni\n0.482250 0.457754 0.978561 Ni\n0.912999 0.498077 0.154125 P\n0.087001 0.998077 0.345875 P\n0.587001 0.501923 0.654125 P\n0.412999 0.001923 0.845875 P\n0.765713 0.679416 0.075789 O\n0.781318 0.297485 0.087928 O\n0.229939 0.504683 0.141891 O\n0.179907 0.000396 0.196105 O\n0.820093 0.500396 0.303895 O\n0.770061 0.004683 0.358109 O\n0.218682 0.797485 0.412072 O\n0.234287 0.179416 0.424211 O\n0.734287 0.320584 0.575789 O\n0.718682 0.702515 0.587928 O\n0.270061 0.495317 0.641891 O\n0.320093 0.999604 0.696105 O\n0.679907 0.499604 0.803895 O\n0.729939 0.995317 0.858109 O\n0.281318 0.202515 0.912072 O\n0.265713 0.820584 0.924211 O\n",
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"formula_full": "Li4 Ni4 P4 O16",
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{
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"structure_string": "Li2 Co3 Ni1 O8\n1.0\n4.951656 -2.845870 0.000000\n4.951656 2.845870 0.000000\n3.316046 0.000000 4.649915\nLi Co Ni O\n2 3 1 8\ndirect\n0.876164 0.876164 0.876164 Li\n0.501836 0.501836 0.501836 Li\n0.500828 0.500828 0.989589 Co\n0.500828 0.989589 0.500828 Co\n0.989589 0.500828 0.500828 Co\n0.118620 0.118620 0.118620 Ni\n0.735996 0.735996 0.735996 O\n0.285476 0.754758 0.754758 O\n0.754758 0.285476 0.754758 O\n0.754758 0.754758 0.285476 O\n0.253913 0.253913 0.716093 O\n0.253913 0.716093 0.253913 O\n0.716093 0.253913 0.253913 O\n0.257227 0.257227 0.257227 O\n",
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},
{
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"structure_string": "Tb7 Mn1 Br12\n1.0\n5.514056 -7.426830 0.000000\n5.514056 7.426830 0.000000\n-4.489071 0.000000 8.087699\nTb Mn Br\n7 1 12\ndirect\n0.000000 0.000000 0.000000 Tb\n0.597209 0.520953 0.803423 Tb\n0.520953 0.803423 0.597209 Tb\n0.803423 0.597209 0.520953 Tb\n0.402791 0.479047 0.196577 Tb\n0.479047 0.196577 0.402791 Tb\n0.196577 0.402791 0.479047 Tb\n0.500000 0.500000 0.500000 Mn\n0.569255 0.179126 0.721902 Br\n0.179126 0.721902 0.569255 Br\n0.721902 0.569255 0.179126 Br\n0.430745 0.820874 0.278098 Br\n0.820874 0.278098 0.430745 Br\n0.278098 0.430745 0.820874 Br\n0.665236 0.884540 0.961752 Br\n0.884540 0.961752 0.665236 Br\n0.961752 0.665236 0.884540 Br\n0.334764 0.115460 0.038248 Br\n0.115460 0.038248 0.334764 Br\n0.038248 0.334764 0.115460 Br\n",
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},
{
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"structure_string": "Ca16 Cr8 O32\n1.0\n5.644404 0.000000 0.000000\n0.000000 9.663164 0.000000\n0.000000 0.000000 13.594283\nCa Cr O\n16 8 32\ndirect\n0.719907 0.772121 0.048910 Ca\n0.685372 0.417791 0.120701 Ca\n0.226691 0.995523 0.128272 Ca\n0.181289 0.645098 0.202338 Ca\n0.681289 0.145098 0.297662 Ca\n0.726691 0.495523 0.371728 Ca\n0.185372 0.917791 0.379299 Ca\n0.219907 0.272121 0.451090 Ca\n0.780093 0.772121 0.548910 Ca\n0.814628 0.417791 0.620701 Ca\n0.273309 0.995523 0.628272 Ca\n0.318711 0.645098 0.702338 Ca\n0.818711 0.145098 0.797662 Ca\n0.773309 0.495523 0.871728 Ca\n0.314628 0.917791 0.879299 Ca\n0.280093 0.272121 0.951090 Ca\n0.776363 0.127515 0.029661 Cr\n0.176582 0.283872 0.226402 Cr\n0.676582 0.783872 0.273598 Cr\n0.276363 0.627515 0.470339 Cr\n0.723637 0.127515 0.529661 Cr\n0.323418 0.283872 0.726402 Cr\n0.823418 0.783872 0.773598 Cr\n0.223637 0.627515 0.970339 Cr\n0.557844 0.997585 0.016978 O\n0.956467 0.559439 0.026892 O\n0.285725 0.772644 0.048347 O\n0.352892 0.245223 0.119669 O\n0.869971 0.194705 0.148102 O\n0.613684 0.639712 0.191264 O\n0.942401 0.845102 0.198314 O\n0.493119 0.936508 0.257977 O\n0.993119 0.436508 0.242023 O\n0.442401 0.345102 0.301686 O\n0.113684 0.139712 0.308736 O\n0.369971 0.694705 0.351898 O\n0.852892 0.745223 0.380331 O\n0.785725 0.272644 0.451653 O\n0.456467 0.059439 0.473108 O\n0.057844 0.497585 0.483022 O\n0.942156 0.997585 0.516978 O\n0.543533 0.559439 0.526892 O\n0.214275 0.772644 0.548347 O\n0.147108 0.245223 0.619669 O\n0.630029 0.194705 0.648102 O\n0.886316 0.639712 0.691264 O\n0.557599 0.845102 0.698314 O\n0.006881 0.936508 0.757977 O\n0.506881 0.436508 0.742023 O\n0.057599 0.345102 0.801686 O\n0.386316 0.139712 0.808736 O\n0.130029 0.694705 0.851898 O\n0.647108 0.745223 0.880331 O\n0.714275 0.272644 0.951653 O\n0.043533 0.059439 0.973108 O\n0.442156 0.497585 0.983022 O\n",
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],
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{
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}
]
}