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{
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{
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{
"id": "mp-1035470",
"created_at": "2022-09-04T14:48:22.681533Z",
"structure_string": "Rb1 Li1 Mg14 O15\n1.0\n8.400227 0.000000 0.000000\n0.000000 8.832773 0.000000\n0.000000 0.000000 4.379258\nRb Li Mg O\n1 1 14 15\ndirect\n0.409097 0.500000 0.000000 Rb\n0.994985 0.000000 0.000000 Li\n0.977232 0.500000 0.000000 Mg\n0.512189 0.000000 0.000000 Mg\n0.002921 0.246228 0.500000 Mg\n0.002921 0.753772 0.500000 Mg\n0.507758 0.244490 0.500000 Mg\n0.507758 0.755510 0.500000 Mg\n0.250691 0.000000 0.500000 Mg\n0.243854 0.500000 0.500000 Mg\n0.763221 0.000000 0.500000 Mg\n0.740401 0.500000 0.500000 Mg\n0.249883 0.215792 0.000000 Mg\n0.249883 0.784208 0.000000 Mg\n0.748646 0.250210 -0.000000 Mg\n0.748646 0.749790 -0.000000 Mg\n0.253412 0.000000 0.000000 O\n0.756975 0.000000 0.000000 O\n0.749110 0.500000 0.000000 O\n0.255720 0.262505 0.500000 O\n0.255720 0.737495 0.500000 O\n0.756036 0.250076 0.500000 O\n0.756036 0.749924 0.500000 O\n0.009822 0.000000 0.500000 O\n0.009654 0.500000 0.500000 O\n0.500500 0.000000 0.500000 O\n0.503040 0.500000 0.500000 O\n0.017787 0.273463 0.000000 O\n0.017787 0.726537 0.000000 O\n0.499156 0.227853 0.000000 O\n0.499156 0.772147 0.000000 O\n",
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"formula_full": "Rb1 Li1 Mg14 O15",
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{
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"created_at": "2022-09-04T14:48:22.687923Z",
"structure_string": "Ti4 Fe2 O10\n1.0\n3.757844 0.000000 0.000000\n-1.878922 4.961347 0.000000\n0.000000 0.000000 10.240318\nTi Fe O\n4 2 10\ndirect\n0.132829 0.265658 0.066986 Ti\n0.867170 0.734343 0.933014 Ti\n0.867170 0.734343 0.566986 Ti\n0.132829 0.265658 0.433014 Ti\n0.807409 0.614821 0.250000 Fe\n0.192590 0.385179 0.750000 Fe\n0.314080 0.628159 0.558753 O\n0.685919 0.371841 0.441247 O\n0.685919 0.371841 0.058753 O\n0.314080 0.628159 0.941247 O\n0.045104 0.090208 0.611573 O\n0.954895 0.909792 0.388427 O\n0.795032 0.590066 0.750000 O\n0.204967 0.409934 0.250000 O\n0.954895 0.909792 0.111573 O\n0.045104 0.090208 0.888427 O\n",
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"formula_full": "Ti4 Fe2 O10",
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"spacegroup": 63
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{
"id": "mp-1111991",
"created_at": "2022-09-04T14:48:22.701792Z",
"structure_string": "K2 Tb1 Cu1 Cl6\n1.0\n0.000000 5.185069 5.185069\n5.185069 0.000000 5.185069\n5.185069 5.185069 0.000000\nK Tb Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Cu\n0.745239 0.254761 0.254761 Cl\n0.254761 0.254761 0.745239 Cl\n0.254761 0.745239 0.745239 Cl\n0.254761 0.745239 0.254761 Cl\n0.745239 0.254761 0.745239 Cl\n0.745239 0.745239 0.254761 Cl\n",
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{
"id": "mp-1104399",
"created_at": "2022-09-04T14:48:22.721983Z",
"structure_string": "Dy6 Pd8\n1.0\n4.278305 -6.630834 0.000000\n4.278305 6.630834 0.000000\n-5.998653 0.000000 5.127184\nDy Pd\n6 8\ndirect\n0.403143 0.026041 0.280622 Dy\n0.026041 0.280622 0.403143 Dy\n0.280622 0.403143 0.026041 Dy\n0.596857 0.973959 0.719378 Dy\n0.973959 0.719378 0.596857 Dy\n0.719378 0.596857 0.973959 Dy\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.223762 0.060320 0.551443 Pd\n0.060320 0.551443 0.223762 Pd\n0.551443 0.223762 0.060320 Pd\n0.776238 0.939680 0.448557 Pd\n0.939680 0.448557 0.776238 Pd\n0.448557 0.776238 0.939680 Pd\n",
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{
"id": "mp-764498",
"created_at": "2022-09-04T14:48:22.731025Z",
"structure_string": "Mn12 O7 F17\n1.0\n4.908782 0.000000 0.000000\n-0.326354 5.564107 0.000000\n-0.087556 -1.885736 16.003125\nMn O F\n12 7 17\ndirect\n0.969474 0.899896 0.001845 Mn\n0.508069 0.172808 0.164103 Mn\n0.015481 0.008890 0.331620 Mn\n0.514083 0.934380 0.510376 Mn\n0.952577 0.932069 0.664165 Mn\n0.458254 0.045476 0.815646 Mn\n0.010942 0.602114 0.173083 Mn\n0.526145 0.416112 0.001379 Mn\n0.482391 0.393464 0.666043 Mn\n0.911549 0.430334 0.531403 Mn\n0.522326 0.531137 0.325729 Mn\n0.006171 0.559653 0.837992 Mn\n0.738988 0.162693 0.607403 O\n0.251642 0.144940 0.711996 O\n0.724327 0.394721 0.105681 O\n0.323449 0.435097 0.220629 O\n0.786570 0.619627 0.947685 O\n0.712456 0.647294 0.619980 O\n0.824361 0.706528 0.277686 O\n0.755334 0.205493 0.272224 F\n0.246226 0.159955 0.049456 F\n0.252110 0.311877 0.372517 F\n0.723907 0.108946 0.940531 F\n0.284459 0.287037 0.544869 F\n0.292305 0.352938 0.895519 F\n0.719986 0.336304 0.778113 F\n0.795999 0.123470 0.439602 F\n0.207555 0.654953 0.062071 F\n0.299002 0.832547 0.389665 F\n0.268437 0.642022 0.736055 F\n0.708139 0.612810 0.439965 F\n0.735436 0.909335 0.108750 F\n0.810905 0.856630 0.781580 F\n0.173352 0.775290 0.560225 F\n0.234822 0.854181 0.900402 F\n0.252773 0.938976 0.214009 F\n",
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{
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{
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{
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"structure_string": "Ba2 Li1 Eu1 Cu4 O8\n1.0\n0.006008 0.256785 3.893595\n3.935027 -0.257640 0.009689\n-2.838841 14.765671 0.851472\nBa Li Eu Cu O\n2 1 1 4 8\ndirect\n0.503048 0.361487 0.727388 Ba\n0.694749 0.466712 0.315354 Ba\n0.267336 0.823507 0.172939 Li\n0.383430 0.603654 0.982313 Eu\n0.820228 0.224645 0.098477 Cu\n0.937279 0.995155 0.870216 Cu\n0.138537 0.086183 0.440519 Cu\n0.070656 0.721358 0.580568 Cu\n0.201845 0.957564 0.308318 O\n0.011329 0.843494 0.707685 O\n0.930322 0.506961 0.882521 O\n0.816443 0.731609 0.105525 O\n0.076003 0.212414 0.571179 O\n0.133174 0.594669 0.449171 O\n0.317460 0.229813 0.104105 O\n0.431494 0.007441 0.882795 O\n",
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],
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"formula_full": "Ba2 Li1 Eu1 Cu4 O8",
"formula_reduced": "Ba2LiEu(CuO2)4",
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"updated_at": "2021-11-28T01:39:40.847000Z",
"spacegroup": 1
},
{
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"created_at": "2022-09-04T14:48:22.792298Z",
"structure_string": "Tb1 V2 Fe10\n1.0\n0.000000 0.000000 4.677694\n-4.242537 4.218197 2.338847\n-4.242537 -4.218197 -2.338847\nTb V Fe\n1 2 10\ndirect\n0.000000 0.000000 0.000000 Tb\n0.000000 0.359122 0.359122 V\n0.000000 0.640878 0.640878 V\n0.724991 0.775009 0.224991 Fe\n0.275009 0.224991 0.775009 Fe\n0.500000 0.771483 0.771483 Fe\n0.500000 0.228517 0.228517 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.641301 0.358699 0.641301 Fe\n0.358699 0.641301 0.358699 Fe\n",
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],
"chemical_system": "Fe-Tb-V",
"density": 8.125604369635026,
"density_atomic": 0.07764778140888115,
"volume": 167.42268438481224,
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"formula_full": "Tb1 V2 Fe10",
"formula_reduced": "Tb(VFe5)2",
"formula_anonymous": "AB2C10",
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"energy_uncorrected": -108.37203412,
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},
{
"id": "mp-1187221",
"created_at": "2022-09-04T14:48:22.693717Z",
"structure_string": "Sr2 Nd6\n1.0\n3.830746 -6.635047 0.000000\n3.830746 6.635047 0.000000\n0.000000 0.000000 6.082824\nSr Nd\n2 6\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.159939 0.319879 0.250000 Nd\n0.680121 0.840061 0.250000 Nd\n0.159939 0.840061 0.250000 Nd\n0.840061 0.680121 0.750000 Nd\n0.319879 0.159939 0.750000 Nd\n0.840061 0.159939 0.750000 Nd\n",
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"elements": [
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],
"chemical_system": "Nd-Sr",
"density": 5.588673095945798,
"density_atomic": 0.025871843778594472,
"volume": 309.2164620528105,
"volume_molar": 23.276813247390294,
"formula_full": "Sr2 Nd6",
"formula_reduced": "SrNd3",
"formula_anonymous": "AB3",
"energy": -30.84557085,
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"updated_at": "2021-11-28T01:38:53.603000Z",
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]
}