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{
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{
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"structure_string": "Mn8 O8 F8\n1.0\n4.812575 -0.109167 0.000000\n-0.442800 18.958447 0.000000\n0.000000 0.000000 3.088530\nMn O F\n8 8 8\ndirect\n0.958193 0.999934 0.000000 Mn\n0.132211 0.249198 0.000000 Mn\n0.020822 0.499458 0.000000 Mn\n0.917183 0.749430 0.000000 Mn\n0.554093 0.126078 0.500000 Mn\n0.574752 0.374717 0.500000 Mn\n0.471849 0.623571 0.500000 Mn\n0.369166 0.873716 0.500000 Mn\n0.294345 0.202000 0.500000 O\n0.122322 0.951820 0.500000 O\n0.297532 0.574572 0.000000 O\n0.393212 0.325999 0.000000 O\n0.198735 0.825341 0.000000 O\n0.742783 0.424952 0.000000 O\n0.644712 0.673621 0.000000 O\n0.804340 0.050412 0.500000 O\n0.220532 0.451223 0.500000 F\n0.124349 0.704333 0.500000 F\n0.334432 0.080586 0.000000 F\n0.787151 0.176617 0.000000 F\n0.597198 0.920452 0.000000 F\n0.913602 0.295096 0.500000 F\n0.819447 0.547126 0.500000 F\n0.707040 0.799752 0.500000 F\n",
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"formula_full": "Mn8 O8 F8",
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"updated_at": "2021-11-28T01:35:16.193000Z",
"spacegroup": 6
},
{
"id": "mp-1188090",
"created_at": "2022-09-04T14:41:17.701635Z",
"structure_string": "Eu10 Sn6 H2\n1.0\n-4.197136 4.197136 7.616580\n4.197136 -4.197136 7.616580\n4.197136 4.197136 -7.616580\nEu Sn H\n10 6 2\ndirect\n0.500000 0.500000 0.000000 Eu\n0.000000 0.000000 0.000000 Eu\n0.513575 0.013575 0.829647 Eu\n0.183928 0.683928 0.170353 Eu\n0.013575 0.183928 0.500000 Eu\n0.683928 0.513575 0.500000 Eu\n0.486425 0.986425 0.170353 Eu\n0.816072 0.316072 0.829647 Eu\n0.986425 0.816072 0.500000 Eu\n0.316072 0.486425 0.500000 Eu\n0.250000 0.250000 0.000000 Sn\n0.750000 0.750000 0.000000 Sn\n0.875884 0.375884 0.251768 Sn\n0.124116 0.624116 0.748232 Sn\n0.375884 0.124116 0.500000 Sn\n0.624116 0.875884 0.500000 Sn\n0.250000 0.750000 0.500000 H\n0.750000 0.250000 0.500000 H\n",
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"formula_full": "Eu10 Sn6 H2",
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},
{
"id": "mp-1205343",
"created_at": "2022-09-04T14:41:17.986896Z",
"structure_string": "Ca2 Mn2 Sb4\n1.0\n4.394002 0.000000 0.000000\n0.000000 4.394002 0.000000\n0.000000 0.000000 10.573282\nCa Mn Sb\n2 2 4\ndirect\n0.000000 0.500000 0.235863 Ca\n0.500000 0.000000 0.764137 Ca\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.649557 Sb\n0.500000 0.000000 0.350443 Sb\n",
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"volume": 204.14103670459878,
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"formula_full": "Ca2 Mn2 Sb4",
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"updated_at": "2021-11-28T01:35:18.363000Z",
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{
"id": "mp-1225358",
"created_at": "2022-09-04T14:41:17.813658Z",
"structure_string": "Fe7 Ge4\n1.0\n2.030324 -3.516624 0.000000\n2.030324 3.516624 0.000000\n0.000000 0.000000 9.952472\nFe Ge\n7 4\ndirect\n0.000000 0.000000 0.876232 Fe\n0.000000 0.000000 0.376210 Fe\n0.000000 0.000000 0.123768 Fe\n0.000000 0.000000 0.623790 Fe\n0.666667 0.333333 0.500000 Fe\n0.333333 0.666667 0.759859 Fe\n0.333333 0.666667 0.240141 Fe\n0.666667 0.333333 0.752781 Ge\n0.666667 0.333333 0.247219 Ge\n0.333333 0.666667 0.000000 Ge\n0.333333 0.666667 0.500000 Ge\n",
"nsites": 11,
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"elements": [
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"density": 7.96245116258895,
"density_atomic": 0.07739990738257144,
"volume": 142.1190331098113,
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"formula_full": "Fe7 Ge4",
"formula_reduced": "Fe7Ge4",
"formula_anonymous": "A4B7",
"energy": -78.46445396,
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"spacegroup": 187
},
{
"id": "mp-861639",
"created_at": "2022-09-04T14:41:17.915980Z",
"structure_string": "Ti2 Co1 Ir1\n1.0\n0.000000 3.062111 3.062111\n3.062111 0.000000 3.062111\n3.062111 3.062111 0.000000\nTi Co Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Ti\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ir\n",
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"density": 10.03092135906687,
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"formula_full": "Ti2 Co1 Ir1",
"formula_reduced": "Ti2CoIr",
"formula_anonymous": "ABC2",
"energy": -34.36745121,
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"spacegroup": 225
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{
"id": "mp-1235343",
"created_at": "2022-09-04T14:41:17.829130Z",
"structure_string": "Li1 Er4 Zr4 O14\n1.0\n2.892550 -0.000010 2.045312\n-0.499710 7.875845 12.978471\n-0.446333 0.132589 12.903018\nLi Er Zr O\n1 4 4 14\ndirect\n0.535528 0.243282 0.738934 Li\n0.000097 0.236800 0.013070 Er\n0.954992 0.004271 0.518127 Er\n0.985422 0.730228 0.527026 Er\n0.021033 0.519036 0.470392 Er\n0.952589 0.968406 0.055267 Zr\n0.983412 0.532534 0.975696 Zr\n0.049000 0.268541 0.456848 Zr\n0.987517 0.744196 0.011974 Zr\n0.182124 0.983660 0.175235 O\n0.300767 0.154025 0.195524 O\n0.209977 0.012121 0.632781 O\n0.224140 0.518908 0.118952 O\n0.347760 0.272378 0.553653 O\n0.260004 0.779535 0.090396 O\n0.829374 0.276809 0.308427 O\n0.661027 0.023595 0.895831 O\n0.744174 0.517493 0.360356 O\n0.836614 0.249677 0.831969 O\n0.756874 0.725146 0.396372 O\n0.223936 0.767362 0.620646 O\n0.718246 0.483960 0.906865 O\n0.735393 0.746966 0.885241 O\n",
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{
"id": "mp-759430",
"created_at": "2022-09-04T14:41:17.678458Z",
"structure_string": "Li2 Cr2 P8 O24\n1.0\n8.684682 0.000000 0.000000\n0.000000 6.869359 0.000000\n0.000000 0.781382 7.257099\nLi Cr P O\n2 2 8 24\ndirect\n0.297762 0.673373 0.693517 Li\n0.797762 0.326627 0.306483 Li\n0.931131 0.758283 0.240391 Cr\n0.431131 0.241717 0.759609 Cr\n0.366919 0.019294 0.410728 P\n0.583168 0.920541 0.088932 P\n0.729666 0.591281 0.602111 P\n0.394711 0.562347 0.057368 P\n0.894711 0.437653 0.942632 P\n0.229666 0.408719 0.397889 P\n0.083168 0.079459 0.911068 P\n0.866919 0.980706 0.589272 P\n0.958417 0.997673 0.777613 O\n0.560205 0.030673 0.902127 O\n0.975596 0.889762 0.460984 O\n0.741525 0.922975 0.173256 O\n0.735569 0.815408 0.649512 O\n0.292934 0.830344 0.472582 O\n0.548162 0.691357 0.079083 O\n0.273747 0.678810 0.953003 O\n0.778023 0.584665 0.401660 O\n0.864801 0.489582 0.725323 O\n0.937890 0.629137 0.011632 O\n0.576484 0.504590 0.657319 O\n0.076484 0.495410 0.342681 O\n0.437890 0.370863 0.988368 O\n0.364801 0.510418 0.274677 O\n0.278023 0.415335 0.598340 O\n0.773747 0.321190 0.046997 O\n0.048162 0.308643 0.920917 O\n0.792934 0.169656 0.527418 O\n0.235569 0.184592 0.350488 O\n0.241525 0.077025 0.826744 O\n0.475596 0.110238 0.539016 O\n0.060205 0.969327 0.097873 O\n0.458417 0.002327 0.222387 O\n",
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"elements": [
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"formula_full": "Li2 Cr2 P8 O24",
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"spacegroup": 4
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{
"id": "mp-1175106",
"created_at": "2022-09-04T14:41:17.706988Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.921196 0.000000 0.000000\n0.000000 5.103575 0.000000\n0.000000 0.249834 14.332838\nLi Mn Co O\n7 2 3 12\ndirect\n0.000000 0.005001 0.492554 Li\n0.500000 0.822990 0.173686 Li\n0.000000 0.655674 0.831999 Li\n0.000000 0.337609 0.177345 Li\n0.500000 0.177688 0.834693 Li\n0.500000 0.501445 0.489618 Li\n0.000000 0.665996 0.332299 Li\n0.000000 0.998776 0.001437 Mn\n0.500000 0.833630 0.665297 Mn\n0.500000 0.499216 0.001893 Co\n0.000000 0.333683 0.665433 Co\n0.500000 0.166413 0.333330 Co\n0.000000 0.018444 0.258326 O\n0.500000 0.854672 0.926238 O\n0.000000 0.694051 0.589343 O\n0.000000 0.311426 0.923170 O\n0.500000 0.150510 0.592236 O\n0.500000 0.455896 0.259343 O\n0.000000 0.970110 0.741082 O\n0.500000 0.878212 0.405542 O\n0.000000 0.689373 0.078842 O\n0.000000 0.319380 0.408912 O\n0.500000 0.142470 0.074706 O\n0.500000 0.517336 0.742677 O\n",
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"formula_full": "Li7 Mn2 Co3 O12",
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{
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"structure_string": "Rb4 Te4 O4 F16\n1.0\n2.424210 8.166163 0.000000\n-2.424210 8.166163 0.000000\n0.000000 1.190280 14.081582\nRb Te O F\n4 4 4 16\ndirect\n0.162002 0.357986 0.491805 Rb\n0.357986 0.162002 0.991805 Rb\n0.472352 0.641788 0.252137 Rb\n0.641788 0.472352 0.752137 Rb\n0.970559 0.026292 0.503083 Te\n0.026292 0.970559 0.003083 Te\n0.791309 0.848681 0.242813 Te\n0.848681 0.791309 0.742813 Te\n0.912929 0.530247 0.271110 O\n0.530247 0.912929 0.771110 O\n0.289792 0.901572 0.467238 O\n0.901572 0.289792 0.967238 O\n0.439937 0.013336 0.215872 F\n0.013336 0.439937 0.715872 F\n0.690567 0.917852 0.384192 F\n0.917852 0.690567 0.884192 F\n0.920092 0.710509 0.106122 F\n0.710509 0.920092 0.606122 F\n0.207110 0.540606 0.270425 F\n0.540606 0.207110 0.770425 F\n0.901830 0.116328 0.137900 F\n0.116328 0.901830 0.637900 F\n0.268954 0.609207 0.483235 F\n0.609207 0.268954 0.983235 F\n0.915433 0.118067 0.360369 F\n0.118067 0.915433 0.860369 F\n0.394265 0.782098 0.029009 F\n0.782098 0.394265 0.529009 F\n",
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{
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"formula_full": "La1 Eu2 Sb1 O6",
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{
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}
]
}