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{
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{
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"structure_string": "Zn2 Hg6 S4 Cl8\n1.0\n3.720316 -6.429688 0.000000\n3.720316 6.429688 0.000000\n0.000000 0.000000 12.146834\nZn Hg S Cl\n2 6 4 8\ndirect\n0.999135 0.000865 0.768603 Zn\n0.000865 0.999135 0.268603 Zn\n0.484960 0.515040 0.012265 Hg\n0.480642 0.969956 0.012763 Hg\n0.030044 0.519358 0.012763 Hg\n0.515040 0.484960 0.512265 Hg\n0.519358 0.030044 0.512763 Hg\n0.969956 0.480642 0.512763 Hg\n0.333746 0.666254 0.134191 S\n0.666254 0.333746 0.634191 S\n0.995218 0.004782 0.587099 S\n0.004782 0.995218 0.087099 S\n0.667127 0.332873 0.931290 Cl\n0.332873 0.667127 0.431290 Cl\n0.170797 0.342471 0.846105 Cl\n0.657529 0.829203 0.846105 Cl\n0.170852 0.829148 0.843204 Cl\n0.829203 0.657529 0.346105 Cl\n0.342471 0.170797 0.346105 Cl\n0.829148 0.170852 0.343204 Cl\n",
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{
"id": "mp-1215742",
"created_at": "2022-09-04T14:48:14.565589Z",
"structure_string": "Zn1 C2 S2 O2 F2\n1.0\n4.456759 0.000000 0.000000\n1.983826 4.140979 0.000000\n1.885287 0.093586 10.122018\nZn C S O F\n1 2 2 2 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.236095 0.213880 0.323390 C\n0.763905 0.786120 0.676610 C\n0.260426 0.272474 0.153667 S\n0.739574 0.727526 0.846333 S\n0.631042 0.261359 0.118350 O\n0.368958 0.738641 0.881650 O\n0.932359 0.235700 0.378615 F\n0.067641 0.764300 0.621385 F\n",
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"formula_full": "Zn1 C2 S2 O2 F2",
"formula_reduced": "ZnC2S2(OF)2",
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"updated_at": "2021-11-28T01:38:46.697000Z",
"spacegroup": 2
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{
"id": "mp-1245768",
"created_at": "2022-09-04T14:48:14.568233Z",
"structure_string": "Mg4 Cd2 N4\n1.0\n7.927519 0.000000 0.000000\n0.000000 7.927519 0.000000\n0.000000 0.000000 7.927519\nMg Cd N\n4 2 4\ndirect\n0.302224 0.302224 0.697776 Mg\n0.302224 0.697776 0.302224 Mg\n0.697776 0.302224 0.302224 Mg\n0.697776 0.697776 0.697776 Mg\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.157349 0.157349 0.842651 N\n0.157349 0.842651 0.157349 N\n0.842651 0.157349 0.157349 N\n0.842651 0.842651 0.842651 N\n",
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"density": 1.260108849550449,
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{
"id": "mp-1047032",
"created_at": "2022-09-04T14:48:14.577014Z",
"structure_string": "Zn4 Bi4 As4 O20\n1.0\n7.255421 0.000000 0.000000\n0.000000 8.131348 0.000000\n0.000000 0.000000 8.999380\nZn Bi As O\n4 4 4 20\ndirect\n0.051358 0.743966 0.681688 Zn\n0.448642 0.256034 0.181688 Zn\n0.948642 0.243966 0.818312 Zn\n0.551358 0.756034 0.318312 Zn\n0.261686 0.751091 0.014842 Bi\n0.238314 0.248909 0.514842 Bi\n0.738314 0.251091 0.485158 Bi\n0.761686 0.748909 0.985158 Bi\n0.489607 0.129918 0.850751 As\n0.010393 0.870082 0.350751 As\n0.510393 0.629918 0.649249 As\n0.989607 0.370082 0.149249 As\n0.502517 0.945369 0.949539 O\n0.997483 0.054631 0.449539 O\n0.497483 0.445369 0.550461 O\n0.002517 0.554631 0.050461 O\n0.464236 0.288174 0.975291 O\n0.035764 0.711826 0.475291 O\n0.535764 0.788174 0.524709 O\n0.964236 0.211826 0.024709 O\n0.689668 0.154997 0.749249 O\n0.810332 0.845003 0.249249 O\n0.310332 0.654997 0.750751 O\n0.189668 0.345003 0.250751 O\n0.299227 0.122985 0.737192 O\n0.200773 0.877015 0.237192 O\n0.700773 0.622985 0.762808 O\n0.799227 0.377015 0.262808 O\n0.001475 0.848751 0.862192 O\n0.498525 0.151249 0.362192 O\n0.998525 0.348751 0.637808 O\n0.501475 0.651249 0.137808 O\n",
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"spacegroup": 19
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{
"id": "mp-724868",
"created_at": "2022-09-04T14:48:14.583117Z",
"structure_string": "V2 P4 O12\n1.0\n4.057318 6.109173 0.000000\n-4.057318 6.109173 0.000000\n0.000000 4.510664 6.881875\nV P O\n2 4 12\ndirect\n0.763397 0.236603 0.250000 V\n0.236603 0.763397 0.750000 V\n0.489582 0.066981 0.744877 P\n0.933019 0.510418 0.755123 P\n0.510418 0.933019 0.255123 P\n0.066981 0.489582 0.244877 P\n0.629099 0.098413 0.532891 O\n0.901587 0.370901 0.967109 O\n0.370901 0.901587 0.467109 O\n0.098413 0.629099 0.032891 O\n0.666074 0.066471 0.188386 O\n0.933529 0.333926 0.311614 O\n0.333926 0.933529 0.811614 O\n0.066471 0.666074 0.688386 O\n0.999622 0.000378 0.250000 O\n0.000378 0.999622 0.750000 O\n0.558770 0.441230 0.250000 O\n0.441230 0.558770 0.750000 O\n",
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"density": 2.0334288553804125,
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"formula_full": "V2 P4 O12",
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{
"id": "mp-1223400",
"created_at": "2022-09-04T14:48:14.605837Z",
"structure_string": "K1 Nb1 Cl6\n1.0\n6.530307 -3.647483 0.000000\n6.530307 3.647483 0.000000\n4.493017 0.000000 5.980121\nK Nb Cl\n1 1 6\ndirect\n0.712787 0.712787 0.712787 K\n0.998137 0.998137 0.998137 Nb\n0.228911 0.769811 0.769811 Cl\n0.769811 0.769811 0.228911 Cl\n0.769811 0.228911 0.769811 Cl\n0.762896 0.225936 0.225936 Cl\n0.225936 0.225936 0.762896 Cl\n0.225936 0.762896 0.225936 Cl\n",
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{
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"structure_string": "Mg14 V1 Cu1 O16\n1.0\n8.556818 0.000000 0.000000\n0.000000 8.612770 0.000000\n0.000000 0.000000 4.238951\nMg V Cu O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.242529 0.500000 Mg\n0.000000 0.757471 0.500000 Mg\n0.500000 0.248538 0.500000 Mg\n0.500000 0.751462 0.500000 Mg\n0.248209 0.000000 0.500000 Mg\n0.252867 0.500000 0.500000 Mg\n0.751791 0.000000 0.500000 Mg\n0.747133 0.500000 0.500000 Mg\n0.249680 0.246207 0.000000 Mg\n0.249680 0.753793 0.000000 Mg\n0.750320 0.246207 0.000000 Mg\n0.750320 0.753793 0.000000 Mg\n0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 Cu\n0.258928 0.000000 0.000000 O\n0.251249 0.500000 0.000000 O\n0.741072 0.000000 0.000000 O\n0.748751 0.500000 0.000000 O\n0.248415 0.250429 0.500000 O\n0.248415 0.749571 0.500000 O\n0.751586 0.250429 0.500000 O\n0.751586 0.749571 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.264212 0.000000 O\n0.000000 0.735788 0.000000 O\n0.500000 0.252275 0.000000 O\n0.500000 0.747725 0.000000 O\n",
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{
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