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{
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"structure_string": "H12 N8 O18\n1.0\n13.222866 0.000000 0.000000\n0.000000 4.976512 0.000000\n0.000000 0.097175 6.859799\nH N O\n12 8 18\ndirect\n0.979505 0.638347 0.136691 H\n0.479505 0.361653 0.863309 H\n0.985471 0.096593 0.733940 H\n0.980646 0.506549 0.629307 H\n0.480646 0.493451 0.370693 H\n0.485471 0.903407 0.266060 H\n0.585002 0.926467 0.135423 H\n0.085002 0.073533 0.864577 H\n0.154164 0.326570 0.103314 H\n0.846938 0.154876 0.096829 H\n0.346938 0.845124 0.903171 H\n0.654164 0.673430 0.896686 H\n0.524022 0.799510 0.159491 N\n0.024022 0.200490 0.840509 N\n0.026051 0.690438 0.401102 N\n0.526051 0.309562 0.598898 N\n0.264898 0.142444 0.217349 N\n0.742463 0.371134 0.198239 N\n0.242463 0.628866 0.801761 N\n0.764898 0.857556 0.782651 N\n0.984001 0.795234 0.221843 O\n0.484001 0.204766 0.778157 O\n0.077848 0.847729 0.493846 O\n0.944971 0.553358 0.506230 O\n0.444971 0.446642 0.493770 O\n0.577848 0.152271 0.506154 O\n0.292315 0.989390 0.346149 O\n0.718673 0.530316 0.322321 O\n0.218673 0.469684 0.677679 O\n0.792315 0.010610 0.653851 O\n0.314748 0.236347 0.079994 O\n0.690520 0.279901 0.064453 O\n0.190520 0.720099 0.935547 O\n0.814748 0.763653 0.920006 O\n0.163158 0.219870 0.224960 O\n0.842599 0.280289 0.207063 O\n0.342599 0.719711 0.792937 O\n0.663158 0.780130 0.775040 O\n",
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{
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{
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{
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"elements": [
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],
"chemical_system": "Sr-Yb",
"density": 3.594172473743844,
"density_atomic": 0.019861998219851115,
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"formula_full": "Sr3 Yb1",
"formula_reduced": "Sr3Yb",
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"updated_at": "2021-11-28T01:36:46.458000Z",
"spacegroup": 225
},
{
"id": "mp-862925",
"created_at": "2022-09-04T14:44:42.876241Z",
"structure_string": "Pm1 In1 Pt2\n1.0\n0.000000 3.461155 3.461155\n3.461155 0.000000 3.461155\n3.461155 3.461155 0.000000\nPm In Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Pt\n0.250000 0.250000 0.250000 Pt\n",
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"elements": [
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],
"chemical_system": "In-Pm-Pt",
"density": 13.015473085281739,
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"volume": 82.92646288544061,
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"formula_full": "Pm1 In1 Pt2",
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"updated_at": "2021-11-28T01:36:42.712000Z",
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{
"id": "mp-21623",
"created_at": "2022-09-04T14:44:31.340467Z",
"structure_string": "Th4 Fe20 P12\n1.0\n3.726338 0.000000 0.000000\n0.000000 10.416768 0.000000\n0.000000 0.000000 11.910263\nTh Fe P\n4 20 12\ndirect\n0.750000 0.419198 0.296718 Th\n0.250000 0.580802 0.703282 Th\n0.250000 0.919198 0.203282 Th\n0.750000 0.080802 0.796718 Th\n0.750000 0.379182 0.800468 Fe\n0.750000 0.294289 0.011447 Fe\n0.750000 0.596515 0.510789 Fe\n0.250000 0.705711 0.988553 Fe\n0.250000 0.222037 0.174064 Fe\n0.250000 0.620818 0.199532 Fe\n0.250000 0.096515 0.989211 Fe\n0.250000 0.277963 0.674064 Fe\n0.250000 0.879182 0.699532 Fe\n0.750000 0.903485 0.010789 Fe\n0.250000 0.403485 0.489211 Fe\n0.750000 0.965790 0.566700 Fe\n0.750000 0.534210 0.066700 Fe\n0.250000 0.794289 0.488553 Fe\n0.750000 0.777963 0.825936 Fe\n0.750000 0.120818 0.300468 Fe\n0.250000 0.465790 0.933300 Fe\n0.750000 0.722037 0.325936 Fe\n0.750000 0.205711 0.511447 Fe\n0.250000 0.034210 0.433300 Fe\n0.250000 0.077427 0.609488 P\n0.750000 0.725620 0.131033 P\n0.750000 0.922573 0.390512 P\n0.250000 0.422573 0.109488 P\n0.750000 0.577427 0.890512 P\n0.250000 0.225620 0.368967 P\n0.250000 0.892489 0.896370 P\n0.250000 0.607511 0.396370 P\n0.250000 0.274380 0.868967 P\n0.750000 0.392489 0.603630 P\n0.750000 0.107511 0.103630 P\n0.750000 0.774380 0.631033 P\n",
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"elements": [
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"chemical_system": "Fe-P-Th",
"density": 8.680444584938293,
"density_atomic": 0.07786923571030244,
"volume": 462.313514080594,
"volume_molar": 7.733658491787721,
"formula_full": "Th4 Fe20 P12",
"formula_reduced": "ThFe5P3",
"formula_anonymous": "AB3C5",
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"total_magnetization": 3.148382,
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"updated_at": "2021-11-28T01:36:47.315000Z",
"spacegroup": 62
}
]
}