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"structure_string": "Mn8 P6 O24\n1.0\n-3.386783 3.386783 9.794688\n3.386783 -3.386783 9.794688\n3.386783 3.386783 -9.794688\nMn P O\n8 6 24\ndirect\n0.769476 0.769476 0.000000 Mn\n0.126344 0.125000 0.501344 Mn\n0.375000 0.873656 0.998656 Mn\n0.230524 0.230524 0.000000 Mn\n0.875000 0.376344 0.001344 Mn\n0.980524 0.480524 0.500000 Mn\n0.519476 0.019476 0.500000 Mn\n0.623656 0.625000 0.498656 Mn\n0.000000 0.000000 0.000000 P\n0.750000 0.250000 0.500000 P\n0.530525 0.125000 0.905525 P\n0.875000 0.780525 0.405525 P\n0.219475 0.625000 0.094475 P\n0.375000 0.469475 0.594475 P\n0.073924 0.784876 0.151994 O\n0.440816 0.135594 0.707544 O\n0.864406 0.571950 0.305222 O\n0.117117 0.465124 0.789048 O\n0.266728 0.559184 0.694778 O\n0.885594 0.690816 0.207544 O\n0.226577 0.975938 0.119303 O\n0.893366 0.274062 0.750639 O\n0.215124 0.367117 0.289048 O\n0.671930 0.882883 0.348006 O\n0.024062 0.143366 0.250639 O\n0.857274 0.106634 0.380697 O\n0.676076 0.328070 0.210952 O\n0.309184 0.516728 0.194778 O\n0.892726 0.773423 0.749361 O\n0.725938 0.476577 0.619303 O\n0.078070 0.926076 0.710952 O\n0.534876 0.323924 0.651994 O\n0.321950 0.114406 0.805222 O\n0.632883 0.921930 0.848006 O\n0.483272 0.678050 0.792456 O\n0.428050 0.733272 0.292456 O\n0.856634 0.107274 0.880697 O\n0.523423 0.142726 0.249361 O\n",
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},
{
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"structure_string": "Li3 V3 O5 F3\n1.0\n5.881415 0.000000 0.000000\n-2.878355 -5.231043 0.000000\n0.022115 3.363214 -5.001864\nLi V O F\n3 3 5 3\ndirect\n0.011599 0.986532 0.023556 Li\n0.747262 0.012934 0.232719 Li\n0.370734 0.500649 0.624079 Li\n0.357212 0.003398 0.604895 V\n0.363910 0.480179 0.131490 V\n0.876802 0.003583 0.624351 V\n0.154527 0.013459 0.381231 O\n0.606867 0.463583 0.369518 O\n0.609721 0.589814 0.829667 O\n0.153830 0.416871 0.428262 O\n0.142457 0.548491 0.868744 O\n0.627951 0.999321 0.383992 F\n0.123592 0.991835 0.872308 F\n0.603535 0.989353 0.875187 F\n",
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"elements": [
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],
"chemical_system": "F-Li-O-V",
"density": 3.352000502018035,
"density_atomic": 0.09097583318371373,
"volume": 153.88702153162853,
"volume_molar": 6.619495034290127,
"formula_full": "Li3 V3 O5 F3",
"formula_reduced": "Li3V3O5F3",
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"updated_at": "2021-11-28T01:37:00.942000Z",
"spacegroup": 1
},
{
"id": "mp-723393",
"created_at": "2022-09-04T14:45:26.981011Z",
"structure_string": "Te1 N2 Cl6\n1.0\n0.000000 5.251431 5.251431\n5.251431 0.000000 5.251431\n5.251431 5.251431 0.000000\nTe N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Te\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.774054 0.774054 0.225946 Cl\n0.225946 0.774054 0.225946 Cl\n0.774054 0.225946 0.225946 Cl\n0.225946 0.225946 0.774054 Cl\n0.774054 0.225946 0.774054 Cl\n0.225946 0.774054 0.774054 Cl\n",
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"volume": 289.6429661353322,
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"formula_full": "Te1 N2 Cl6",
"formula_reduced": "Te(NCl3)2",
"formula_anonymous": "AB2C6",
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"updated_at": "2021-11-28T01:36:59.211000Z",
"spacegroup": 225
},
{
"id": "mp-1181579",
"created_at": "2022-09-04T14:45:27.103132Z",
"structure_string": "Cs1 Mn1 Cu3 Se4\n1.0\n6.250348 0.000003 -0.000011\n0.000003 6.253630 0.000010\n-0.000011 0.000010 6.257636\nCs Mn Cu Se\n1 1 3 4\ndirect\n0.499998 0.500002 0.500001 Cs\n0.000001 0.999999 0.000000 Mn\n0.000000 0.500001 0.000000 Cu\n0.000000 0.000000 0.499998 Cu\n0.500000 0.000000 0.000000 Cu\n0.212512 0.212587 0.212655 Se\n0.787489 0.787412 0.212655 Se\n0.212512 0.787412 0.787346 Se\n0.787489 0.212588 0.787346 Se\n",
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"volume": 244.59449462850802,
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"formula_full": "Cs1 Mn1 Cu3 Se4",
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"formula_anonymous": "ABC3D4",
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}