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{
"id": "mp-1006351",
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"structure_string": "Ce2 Y6\n1.0\n3.598601 -6.232959 0.000000\n3.598601 6.232959 0.000000\n0.000000 0.000000 5.703369\nCe Y\n2 6\ndirect\n0.333333 0.666667 0.750000 Ce\n0.666667 0.333333 0.250000 Ce\n0.166338 0.332675 0.250000 Y\n0.667325 0.833662 0.250000 Y\n0.166338 0.833662 0.250000 Y\n0.833662 0.667325 0.750000 Y\n0.332675 0.166338 0.750000 Y\n0.833662 0.166338 0.750000 Y\n",
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{
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"formula_full": "K2 U1 Br4 O4",
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{
"id": "mp-571071",
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"structure_string": "Ho1 Si2 Rh3\n1.0\n2.757884 -4.776795 0.000000\n2.757884 4.776795 0.000000\n0.000000 0.000000 3.684192\nHo Si Rh\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 6,
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"formula_full": "Ho1 Si2 Rh3",
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},
{
"id": "mp-1191460",
"created_at": "2022-09-04T14:47:59.839560Z",
"structure_string": "Hf12 Mn12\n1.0\n-5.813748 -5.813748 0.000000\n-5.813748 0.000000 -5.813748\n0.000000 -5.813748 -5.813748\nHf Mn\n12 12\ndirect\n0.427256 0.822744 0.822744 Hf\n0.822744 0.427256 0.427256 Hf\n0.822744 0.427256 0.822744 Hf\n0.427256 0.822744 0.427256 Hf\n0.822744 0.822744 0.427256 Hf\n0.427256 0.427256 0.822744 Hf\n0.572744 0.177256 0.177256 Hf\n0.177256 0.572744 0.572744 Hf\n0.177256 0.572744 0.177256 Hf\n0.572744 0.177256 0.572744 Hf\n0.177256 0.177256 0.572744 Hf\n0.572744 0.572744 0.177256 Hf\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.202212 0.202212 0.893363 Mn\n0.202212 0.893363 0.202212 Mn\n0.893363 0.202212 0.202212 Mn\n0.202212 0.202212 0.202212 Mn\n0.797788 0.797788 0.106637 Mn\n0.797788 0.106637 0.797788 Mn\n0.106637 0.797788 0.797788 Mn\n0.797788 0.797788 0.797788 Mn\n",
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"spacegroup": 227
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{
"id": "mp-1076",
"created_at": "2022-09-04T14:48:06.687082Z",
"structure_string": "K1 B6\n1.0\n4.225143 0.000000 0.000000\n0.000000 4.225143 0.000000\n0.000000 0.000000 4.225143\nK B\n1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.699055 0.000000 0.000000 B\n0.300945 0.000000 0.000000 B\n0.000000 0.000000 0.699055 B\n0.000000 0.000000 0.300945 B\n0.000000 0.300945 0.000000 B\n0.000000 0.699055 0.000000 B\n",
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"density": 2.2888065863145344,
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"updated_at": "2021-11-28T01:38:28.195000Z",
"spacegroup": 221
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{
"id": "mp-754332",
"created_at": "2022-09-04T14:48:11.724803Z",
"structure_string": "Li1 Fe7 O3 F9\n1.0\n5.449073 -0.049271 0.054500\n-2.687240 1.541980 4.811679\n2.845465 -7.701675 4.891849\nLi Fe O F\n1 7 3 9\ndirect\n0.857249 0.633578 0.931891 Li\n0.136253 0.344941 0.079904 Fe\n0.184494 0.903864 0.576195 Fe\n0.323115 0.890052 0.171532 Fe\n0.633516 0.628207 0.324604 Fe\n0.359558 0.365727 0.665375 Fe\n0.879298 0.138895 0.435761 Fe\n0.655590 0.123526 0.808764 Fe\n0.019859 0.012099 0.233225 O\n0.271187 0.293496 0.472662 O\n0.559991 0.115710 0.626231 O\n0.066150 0.528480 0.722667 F\n0.431566 0.882789 0.362092 F\n0.540979 0.635247 0.116409 F\n0.243494 0.756992 0.973011 F\n0.745234 0.223719 0.015268 F\n0.778464 0.724925 0.543135 F\n0.435251 0.366042 0.872408 F\n0.934235 0.957573 0.795407 F\n0.944517 0.474137 0.273462 F\n",
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"elements": [
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"formula_full": "Li1 Fe7 O3 F9",
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{
"id": "mp-19287",
"created_at": "2022-09-04T14:48:05.416751Z",
"structure_string": "Na4 V4 Si8 O24\n1.0\n5.239461 -0.105861 1.226770\n1.467410 6.418693 0.584843\n-5.379347 0.298421 11.990691\nNa V Si O\n4 4 8 24\ndirect\n0.100154 0.299088 0.350413 Na\n0.600405 0.298986 0.850464 Na\n0.399824 0.700870 0.149573 Na\n0.899573 0.700981 0.649522 Na\n0.297197 0.905686 0.547177 V\n0.202832 0.094282 0.952827 V\n0.797408 0.905377 0.047240 V\n0.702635 0.094716 0.452776 V\n0.447874 0.201668 0.190933 Si\n0.947936 0.201763 0.690930 Si\n0.857919 0.381792 0.100922 Si\n0.357860 0.381986 0.600859 Si\n0.642059 0.618295 0.399069 Si\n0.142130 0.617988 0.899145 Si\n0.052118 0.798324 0.309064 Si\n0.552066 0.798209 0.809077 Si\n0.050000 0.963420 0.401705 O\n0.550114 0.963336 0.901830 O\n0.450008 0.036550 0.098297 O\n0.949887 0.036640 0.598176 O\n0.629884 0.803635 0.481613 O\n0.130196 0.803381 0.981788 O\n0.870117 0.196432 0.018386 O\n0.369804 0.196624 0.518207 O\n0.747225 0.617670 0.053898 O\n0.247324 0.617884 0.553807 O\n0.752803 0.382412 0.446102 O\n0.252673 0.382082 0.946189 O\n0.998197 0.892462 0.191126 O\n0.497607 0.892440 0.691144 O\n0.501803 0.107573 0.308881 O\n0.002400 0.107544 0.808862 O\n0.153131 0.358106 0.172323 O\n0.652978 0.357926 0.672384 O\n0.840390 0.655262 0.320936 O\n0.340394 0.655188 0.821054 O\n0.659615 0.344731 0.179054 O\n0.159593 0.344788 0.678947 O\n0.346849 0.641868 0.327679 O\n0.847018 0.642034 0.827617 O\n",
"nsites": 40,
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"formula_full": "Na4 V4 Si8 O24",
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{
"id": "mp-1184398",
"created_at": "2022-09-04T14:48:09.236004Z",
"structure_string": "Cs6 Mo4 Br2 O14\n1.0\n3.328183 -5.764581 0.000000\n3.328183 5.764581 0.000000\n0.000000 0.000000 16.944717\nCs Mo Br O\n6 4 2 14\ndirect\n0.333333 0.666667 0.954375 Cs\n0.666667 0.333333 0.454375 Cs\n0.666667 0.333333 0.045625 Cs\n0.333333 0.666667 0.545625 Cs\n0.666667 0.333333 0.750000 Cs\n0.333333 0.666667 0.250000 Cs\n0.000000 0.000000 0.863196 Mo\n0.000000 0.000000 0.363196 Mo\n0.000000 0.000000 0.136804 Mo\n0.000000 0.000000 0.636804 Mo\n0.333333 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n0.000000 0.000000 0.750000 O\n0.000000 0.000000 0.250000 O\n0.854804 0.709607 0.899721 O\n0.145196 0.290393 0.399721 O\n0.290393 0.145196 0.899721 O\n0.854804 0.145196 0.899721 O\n0.145196 0.854804 0.399721 O\n0.709607 0.854804 0.399721 O\n0.145196 0.290393 0.100279 O\n0.145196 0.854804 0.100279 O\n0.709607 0.854804 0.100279 O\n0.290393 0.145196 0.600279 O\n0.854804 0.145196 0.600279 O\n0.854804 0.709607 0.600279 O\n",
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"spacegroup": 194
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{
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"created_at": "2022-09-04T14:48:07.617329Z",
"structure_string": "Zr4 Ir2\n1.0\n-3.271627 3.271627 2.889464\n3.271627 -3.271627 2.889464\n3.271627 3.271627 -2.889464\nZr Ir\n4 2\ndirect\n0.671607 0.171607 0.843214 Zr\n0.328393 0.828393 0.156786 Zr\n0.828393 0.671607 0.500000 Zr\n0.171607 0.328393 0.500000 Zr\n0.750000 0.750000 0.000000 Ir\n0.250000 0.250000 0.000000 Ir\n",
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"formula_full": "Zr4 Ir2",
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"spacegroup": 140
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{
"id": "mp-1073358",
"created_at": "2022-09-04T14:48:04.728897Z",
"structure_string": "Mg4 Si8\n1.0\n3.762516 0.000000 0.000000\n-0.005473 6.284495 0.000000\n-0.681240 -2.246357 10.104890\nMg Si\n4 8\ndirect\n0.566196 0.686841 0.010954 Mg\n0.616192 0.532020 0.495548 Mg\n0.045212 0.219307 0.000440 Mg\n0.108815 0.997244 0.488821 Mg\n0.149830 0.859554 0.811147 Si\n0.572164 0.393557 0.200654 Si\n0.086286 0.897055 0.202384 Si\n0.039910 0.480872 0.813867 Si\n0.514324 0.314983 0.690252 Si\n0.603214 0.094507 0.301213 Si\n0.088824 0.592042 0.300166 Si\n0.624781 0.932014 0.684553 Si\n",
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"formula_full": "Mg4 Si8",
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{
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"structure_string": "Fe4 P6 O24\n1.0\n7.146799 -0.010505 -3.839099\n2.545282 6.664979 -3.846946\n0.028056 0.028573 8.562064\nFe P O\n4 6 24\ndirect\n0.859773 0.357819 0.077173 Fe\n0.647150 0.149376 0.444087 Fe\n0.352850 0.850624 0.555913 Fe\n0.140228 0.642181 0.922827 Fe\n0.533684 0.748659 0.252369 P\n0.248327 0.468620 0.253143 P\n0.751673 0.531380 0.746857 P\n0.466316 0.251341 0.747631 P\n0.032379 0.966771 0.749383 P\n0.967621 0.033229 0.250617 P\n0.744006 0.607081 0.234468 O\n0.825219 0.985665 0.596015 O\n0.818324 0.007128 0.292876 O\n0.884049 0.246004 0.238276 O\n0.174781 0.014335 0.403985 O\n0.181676 0.992872 0.707124 O\n0.115951 0.753996 0.761724 O\n0.509232 0.965967 0.296693 O\n0.218216 0.670860 0.413989 O\n0.374574 0.697251 0.064936 O\n0.190781 0.498203 0.066856 O\n0.105619 0.385881 0.239199 O\n0.520639 0.710024 0.407849 O\n0.535996 0.685928 0.712121 O\n0.781784 0.329140 0.586011 O\n0.012167 0.121476 0.939866 O\n0.987833 0.878524 0.060134 O\n0.255994 0.392919 0.765532 O\n0.464004 0.314072 0.287879 O\n0.479361 0.289976 0.592151 O\n0.894381 0.614119 0.760801 O\n0.809219 0.501797 0.933144 O\n0.625426 0.302749 0.935064 O\n0.490768 0.034033 0.703307 O\n",
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"formula_full": "Fe4 P6 O24",
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},
{
"id": "mp-1196563",
"created_at": "2022-09-04T14:48:12.384626Z",
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"elements": [
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],
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"density": 5.93003192014094,
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"updated_at": "2021-11-28T01:38:28.213000Z",
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}
]
}