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{
"id": "mp-26715",
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"structure_string": "Li4 Co4 P8 O28\n1.0\n8.016884 0.000000 0.000000\n0.000000 6.802475 0.000000\n0.000000 3.123832 8.983722\nLi Co P O\n4 4 8 28\ndirect\n0.874958 0.204775 0.462943 Li\n0.625042 0.204775 0.962943 Li\n0.374958 0.795225 0.037057 Li\n0.125042 0.795225 0.537057 Li\n0.224758 0.281442 0.004027 Co\n0.275242 0.281442 0.504027 Co\n0.724758 0.718558 0.495973 Co\n0.775242 0.718558 0.995973 Co\n0.415872 0.533571 0.704534 P\n0.915872 0.466429 0.795466 P\n0.084128 0.533571 0.204534 P\n0.462386 0.054257 0.294813 P\n0.962385 0.945743 0.205187 P\n0.584128 0.466429 0.295466 P\n0.037614 0.054257 0.794813 P\n0.537614 0.945743 0.705187 P\n0.681648 0.938529 0.601440 O\n0.087228 0.089708 0.632069 O\n0.587228 0.910292 0.867931 O\n0.766183 0.487901 0.889386 O\n0.266183 0.512099 0.610614 O\n0.102734 0.770368 0.208717 O\n0.602734 0.229632 0.291283 O\n0.913917 0.611712 0.631914 O\n0.561934 0.851273 0.352142 O\n0.397266 0.770368 0.708717 O\n0.412772 0.089708 0.132069 O\n0.181648 0.061471 0.898560 O\n0.584600 0.519310 0.636351 O\n0.086083 0.388288 0.368086 O\n0.897266 0.229632 0.791283 O\n0.233817 0.512099 0.110614 O\n0.084600 0.480690 0.863649 O\n0.938066 0.851273 0.852142 O\n0.438066 0.148727 0.647858 O\n0.818352 0.938529 0.101440 O\n0.915400 0.519310 0.136351 O\n0.733817 0.487901 0.389386 O\n0.415400 0.480690 0.363649 O\n0.413917 0.388288 0.868086 O\n0.318352 0.061471 0.398560 O\n0.912772 0.910292 0.367931 O\n0.586083 0.611712 0.131914 O\n0.061934 0.148727 0.147858 O\n",
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{
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"structure_string": "K12 Nb4 Se16\n1.0\n9.770728 0.000000 0.000000\n0.000000 9.909302 0.000000\n0.000000 0.000000 11.341905\nK Nb Se\n12 4 16\ndirect\n0.372129 0.583204 0.750000 K\n0.127871 0.083204 0.250000 K\n0.627871 0.416796 0.250000 K\n0.872129 0.916796 0.750000 K\n0.940804 0.708307 0.451879 K\n0.440804 0.791693 0.048121 K\n0.559196 0.208307 0.548121 K\n0.059196 0.291693 0.951879 K\n0.059196 0.291693 0.548121 K\n0.559196 0.208307 0.951879 K\n0.440804 0.791693 0.451879 K\n0.940804 0.708307 0.048121 K\n0.213130 0.513628 0.250000 Nb\n0.713130 0.986372 0.250000 Nb\n0.286870 0.013628 0.750000 Nb\n0.786870 0.486372 0.750000 Nb\n0.335278 0.447618 0.426295 Se\n0.664722 0.552382 0.926295 Se\n0.835278 0.052382 0.073705 Se\n0.164722 0.947618 0.573705 Se\n0.013249 0.587192 0.750000 Se\n0.513249 0.912808 0.750000 Se\n0.486751 0.087192 0.250000 Se\n0.986751 0.412808 0.250000 Se\n0.810813 0.242890 0.750000 Se\n0.310813 0.257110 0.750000 Se\n0.689187 0.742890 0.250000 Se\n0.189187 0.757110 0.250000 Se\n0.664722 0.552382 0.573705 Se\n0.164722 0.947618 0.926295 Se\n0.835278 0.052382 0.426295 Se\n0.335278 0.447618 0.073705 Se\n",
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"volume": 1098.1356559494923,
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"formula_full": "K12 Nb4 Se16",
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{
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"formula_full": "Zn1 H2 O2",
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{
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"formula_full": "Re3 N5",
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"spacegroup": 44
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{
"id": "mp-1097298",
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"structure_string": "Hf1 Si1 Tc2\n1.0\n-4.637122 5.623826 7.911176\n4.637122 -5.623826 7.911176\n4.637122 5.623826 -7.911176\nHf Si Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Si\n0.000000 0.247959 0.247959 Tc\n0.000000 0.752041 0.752041 Tc\n",
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"spacegroup": 71
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{
"id": "mp-1097571",
"created_at": "2022-09-04T14:40:17.041982Z",
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{
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"created_at": "2022-09-04T14:40:17.043207Z",
"structure_string": "La3 Al1 O1\n1.0\n5.037775 0.000000 0.000000\n0.000000 5.037775 0.000000\n0.000000 0.000000 5.037775\nLa Al O\n3 1 1\ndirect\n0.500000 0.000000 0.000000 La\n0.000000 0.500000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 O\n",
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"spacegroup": 221
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{
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"structure_string": "Pr1 O2\n1.0\n0.000000 2.862531 2.862531\n2.862531 0.000000 2.862531\n2.862531 2.862531 0.000000\nPr O\n1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 O\n",
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{
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{
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{
"id": "mp-1517187",
"created_at": "2022-09-04T14:40:17.060078Z",
"structure_string": "Ba1 Nd1 Mn4 O12\n1.0\n5.468934 0.000000 0.000000\n0.000000 5.468934 0.000000\n0.000000 -0.000000 7.724503\nBa Nd Mn O\n1 1 4 12\ndirect\n0.500000 0.500000 0.000000 Ba\n-0.000000 0.000000 0.500000 Nd\n-0.000000 0.500000 0.753314 Mn\n-0.000000 0.500000 0.246686 Mn\n0.500000 0.000000 0.753314 Mn\n0.500000 -0.000000 0.246686 Mn\n0.241186 0.241186 0.729273 O\n0.241186 0.241186 0.270727 O\n0.758814 0.758814 0.729273 O\n0.758814 0.758814 0.270727 O\n0.758814 0.241186 0.729273 O\n0.758814 0.241186 0.270727 O\n0.241186 0.758814 0.729273 O\n0.241186 0.758814 0.270727 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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{
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"structure_string": "Na1 Li2 N1\n1.0\n0.000000 2.708208 2.708208\n2.708208 0.000000 2.708208\n2.708208 2.708208 0.000000\nNa Li N\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 N\n",
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]
}