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},
{
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"created_at": "2022-09-04T14:46:31.062210Z",
"structure_string": "Mg1 Fe8 O14 F2\n1.0\n-4.706912 4.827196 -3.160378\n4.365658 4.494548 -3.119059\n0.148058 -4.681641 -3.161500\nMg Fe O F\n1 8 14 2\ndirect\n0.153265 0.928738 0.884064 Mg\n0.746849 0.236015 0.547599 Fe\n0.513588 0.989641 0.967559 Fe\n0.252753 0.272236 0.538740 Fe\n0.758851 0.740835 0.460225 Fe\n0.507716 0.499794 0.996714 Fe\n0.870883 0.061000 0.100548 Fe\n0.262114 0.746432 0.442079 Fe\n0.011100 0.495607 0.013817 Fe\n0.989746 0.207386 0.409207 O\n0.946557 0.196780 0.883982 O\n0.616637 0.258500 0.142143 O\n0.302655 0.022535 0.663149 O\n0.523484 0.325195 0.668885 O\n0.771471 0.565480 0.132721 O\n0.716427 0.920232 0.791493 O\n0.240418 0.434832 0.872527 O\n0.494166 0.673333 0.325941 O\n0.713085 0.972685 0.303487 O\n0.193303 0.476083 0.337567 O\n0.407814 0.732971 0.839787 O\n0.067958 0.809262 0.116611 O\n0.018455 0.769783 0.560647 O\n0.821784 0.517828 0.668743 F\n0.321142 0.082003 0.188906 F\n",
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"nelements": 4,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Fe-Mg-O",
"density": 4.564050416170385,
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"formula_full": "Mg1 Fe8 O14 F2",
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{
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"structure_string": "Tc1 B1\n1.0\n0.000000 2.202570 2.202570\n2.202570 0.000000 2.202570\n2.202570 2.202570 0.000000\nTc B\n1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.500000 B\n",
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"elements": [
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"density": 8.454788431007788,
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"volume": 21.37072001862919,
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"formula_full": "Tc1 B1",
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"spacegroup": 225
},
{
"id": "mp-1176479",
"created_at": "2022-09-04T14:46:30.516730Z",
"structure_string": "Mn3 Cr2 Sn1 P6 O24\n1.0\n7.335122 -4.359966 0.000000\n7.335122 4.359966 0.000000\n4.743576 0.000000 7.093082\nMn Cr Sn P O\n3 2 1 6 24\ndirect\n0.852220 0.852220 0.852220 Mn\n0.647309 0.647309 0.647309 Mn\n0.354592 0.354592 0.354592 Mn\n0.996958 0.996958 0.996958 Cr\n0.500753 0.500753 0.500753 Cr\n0.146154 0.146154 0.146154 Sn\n0.746024 0.452274 0.051592 P\n0.452274 0.051592 0.746024 P\n0.051592 0.746024 0.452274 P\n0.947461 0.251957 0.553279 P\n0.553279 0.947461 0.251957 P\n0.251957 0.553279 0.947461 P\n0.903145 0.675775 0.486683 O\n0.675775 0.486683 0.903145 O\n0.934070 0.094801 0.753061 O\n0.486683 0.903145 0.675775 O\n0.986796 0.178047 0.400175 O\n0.747171 0.402847 0.564753 O\n0.753061 0.934070 0.094801 O\n0.564753 0.747171 0.402847 O\n0.820713 0.600901 0.014027 O\n0.402847 0.564753 0.747171 O\n0.906499 0.247428 0.064467 O\n0.600901 0.014027 0.820713 O\n0.400175 0.986796 0.178047 O\n0.094801 0.753061 0.934070 O\n0.594799 0.435977 0.254272 O\n0.178047 0.400175 0.986796 O\n0.435977 0.254272 0.594799 O\n0.247428 0.064467 0.906499 O\n0.254272 0.594799 0.435977 O\n0.014027 0.820713 0.600901 O\n0.510838 0.103433 0.318747 O\n0.064467 0.906499 0.247428 O\n0.318747 0.510838 0.103433 O\n0.103433 0.318747 0.510838 O\n",
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"elements": [
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],
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"density": 3.5039824869492135,
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"volume": 453.6860443764707,
"volume_molar": 7.589336722451981,
"formula_full": "Mn3 Cr2 Sn1 P6 O24",
"formula_reduced": "Mn3Cr2Sn(PO4)6",
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"energy": -289.39273477,
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]
}