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{
"id": "jvasp-17352",
"created_at": "2022-09-04T14:36:11.561608Z",
"updated_at": "2022-09-04T14:36:11.561645Z",
"structure_string": "Mn1 Al1 O3\n1.0\n3.723350 -0.000000 -0.000000\n-0.000000 3.723350 -0.000000\n0.000000 0.000000 3.723350\nMn Al O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Ti4 Cd1 Cu3 O12\n1.0\n6.080239 0.000000 -2.149688\n-3.040120 5.265640 -2.149688\n-0.000000 -0.000000 6.449066\nTi Cd Cu O\n4 1 3 12\ndirect\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 -0.000000 -0.000000 Ti\n0.000000 0.000000 0.000000 Cd\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 -0.000000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.872957 0.177877 0.695080 O\n0.177877 0.304920 0.482798 O\n0.304920 0.482798 0.177877 O\n0.695080 0.517202 0.822123 O\n0.822123 0.304920 0.127043 O\n0.177877 0.695080 0.872957 O\n0.822123 0.695080 0.517202 O\n0.304920 0.127043 0.822123 O\n0.127043 0.822123 0.304920 O\n0.482798 0.177877 0.304920 O\n0.695080 0.872957 0.177877 O\n0.517202 0.822123 0.695080 O\n",
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{
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"created_at": "2022-09-04T14:35:58.782076Z",
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"structure_string": "Mn6 O8 F4\n1.0\n5.416772 -0.023044 -0.017419\n1.748756 5.129086 -0.025387\n2.280101 1.594918 6.665377\nMn O F\n6 8 4\ndirect\n0.306731 0.317773 0.161076 Mn\n0.658239 0.668097 0.327894 Mn\n0.344555 0.357844 0.689431 Mn\n0.671517 0.687843 0.827220 Mn\n0.998387 0.010624 0.503881 Mn\n0.021082 0.963862 0.998810 Mn\n0.314063 0.672009 -0.003398 O\n0.964187 0.362757 0.330394 O\n0.641237 0.046675 0.671316 O\n0.575114 0.579731 0.621946 O\n0.773618 0.761075 0.037767 O\n0.033759 0.654800 0.670338 O\n0.350594 0.969882 0.330204 O\n0.222510 0.210182 0.973114 O\n0.886516 0.904693 0.315598 F\n0.111685 0.127339 0.684767 F\n0.423607 0.422732 0.360707 F\n0.702593 0.282102 -0.001066 F\n",
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{
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"created_at": "2022-09-04T14:38:16.145617Z",
"updated_at": "2022-09-04T14:38:16.145643Z",
"structure_string": "Li2 F6\n1.0\n4.421903 0.000000 0.000000\n-2.210951 3.829481 0.000000\n-0.000000 0.000000 4.877416\nLi F\n2 6\ndirect\n0.666666 0.333333 0.250000 Li\n0.333333 0.666666 0.750001 Li\n0.830617 0.169382 0.750001 F\n0.338764 0.169382 0.750001 F\n0.830617 0.661236 0.750001 F\n0.169382 0.830618 0.250000 F\n0.661236 0.830618 0.250000 F\n0.169382 0.338764 0.250000 F\n",
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{
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"created_at": "2022-09-04T14:38:43.561470Z",
"updated_at": "2022-09-04T14:38:43.561498Z",
"structure_string": "Mn10 Cu2 N8\n1.0\n7.776683 -0.000000 0.000000\n0.000000 5.465381 0.000000\n0.000000 -0.000000 4.858082\nMn Cu N\n10 2 8\ndirect\n0.538631 0.509979 0.257287 Mn\n0.750000 0.750000 0.837351 Mn\n0.038631 0.009979 0.742713 Mn\n0.461369 0.009979 0.742713 Mn\n0.038631 0.490021 0.742713 Mn\n0.250000 0.250000 0.162648 Mn\n0.961368 -0.009979 0.257287 Mn\n0.538631 -0.009979 0.257287 Mn\n0.961368 0.509979 0.257287 Mn\n0.461369 0.490021 0.742713 Mn\n0.750000 0.250000 0.861004 Cu\n0.250000 0.750000 0.138995 Cu\n0.431511 0.250000 0.442635 N\n0.750000 -0.020034 0.118613 N\n0.750000 0.520034 0.118613 N\n0.250000 0.020034 0.881387 N\n0.250000 0.479966 0.881387 N\n0.568488 0.750000 0.557364 N\n0.931511 0.750000 0.557364 N\n0.068488 0.250000 0.442635 N\n",
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{
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"created_at": "2022-09-04T14:35:48.565988Z",
"updated_at": "2022-09-04T14:35:48.566009Z",
"structure_string": "Mn4 Fe2 O6\n1.0\n0.000000 5.343985 -0.002674\n3.078251 0.000000 0.000000\n0.000000 -0.019074 -7.531177\nMn Fe O\n4 2 6\ndirect\n0.669294 0.000000 0.337717 Mn\n0.330708 0.000000 0.662283 Mn\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.164765 0.500000 0.335049 Fe\n0.835237 0.500000 0.664951 Fe\n0.332104 0.000000 0.170006 O\n0.833020 0.500000 0.167430 O\n0.166982 0.500000 0.832570 O\n0.500001 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.667898 0.000000 0.829994 O\n",
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"formula_full": "Mn4 Fe2 O6",
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"spacegroup": 10
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{
"id": "jvasp-43543",
"created_at": "2022-09-04T14:35:49.517663Z",
"updated_at": "2022-09-04T14:35:49.517684Z",
"structure_string": "Mn3 Ni1 O4\n1.0\n-0.000000 2.172407 2.172407\n-4.440082 2.140942 -2.140942\n-4.440082 -2.140942 2.140942\nMn Ni O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500001 0.000000 0.500000 Mn\n0.500001 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Ni\n0.000000 0.736823 0.736823 O\n0.500001 0.245540 0.754460 O\n0.500001 0.754460 0.245540 O\n0.000000 0.263176 0.263176 O\n",
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{
"id": "jvasp-17353",
"created_at": "2022-09-04T14:36:14.015322Z",
"updated_at": "2022-09-04T14:36:14.015343Z",
"structure_string": "Al1 Cr1 O3\n1.0\n3.724291 0.000000 -0.000000\n0.000000 3.724291 -0.000000\n0.000000 -0.000000 3.722792\nAl Cr O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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},
{
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"created_at": "2022-09-04T14:36:10.065379Z",
"updated_at": "2022-09-04T14:36:10.065398Z",
"structure_string": "Li2 Ni3 Sn1 O8\n1.0\n5.967953 0.087227 0.061680\n3.059518 5.124785 0.061680\n3.059518 1.766414 4.811134\nLi Ni Sn O\n2 3 1 8\ndirect\n0.118311 0.118311 0.118311 Li\n0.881690 0.881688 0.881689 Li\n0.000001 0.499999 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500001 0.500000 0.500000 Sn\n0.265141 0.265140 0.265140 O\n0.252109 0.252108 0.714329 O\n0.252109 0.714328 0.252108 O\n0.714329 0.252108 0.252108 O\n0.285672 0.747891 0.747891 O\n0.747892 0.285671 0.747891 O\n0.747892 0.747891 0.285671 O\n0.734860 0.734859 0.734859 O\n",
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"structure_string": "Li2 Fe2 C3 O9\n1.0\n4.922533 0.000000 0.000000\n0.000000 4.871080 3.445980\n0.000000 -4.871080 3.445980\nLi Fe C O\n2 2 3 9\ndirect\n0.000000 0.910176 0.910176 Li\n0.500000 0.643756 0.643756 Li\n0.500000 0.258062 0.814019 Fe\n0.500000 0.814019 0.258062 Fe\n0.000000 0.444718 0.855410 C\n0.000000 0.855410 0.444718 C\n0.500000 0.242871 0.242871 C\n0.000000 0.242218 0.886416 O\n0.000000 0.886416 0.242218 O\n0.228375 0.546493 0.839112 O\n0.228375 0.839112 0.546493 O\n0.500000 0.212122 0.444925 O\n0.500000 0.050587 0.050587 O\n0.500000 0.444925 0.212122 O\n0.771625 0.546493 0.839112 O\n0.771625 0.839112 0.546493 O\n",
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{
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"structure_string": "Fe2 O2 F2\n1.0\n3.761854 0.000024 0.000058\n0.000036 5.719754 0.000003\n0.000044 0.000003 2.880559\nFe O F\n2 2 2\ndirect\n0.249999 0.146354 0.750001 Fe\n0.750000 0.853641 0.249999 Fe\n0.249999 0.921935 0.249999 O\n0.750000 0.078055 0.750001 O\n0.250006 0.365230 0.249987 F\n0.749993 0.634777 0.750013 F\n",
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{
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"structure_string": "Li2 V6 Zn4 O16\n1.0\n5.930739 -0.081825 0.016268\n-0.040684 8.333200 0.004734\n-0.016769 -0.003483 5.852970\nLi V Zn O\n2 6 4 16\ndirect\n0.244521 0.377763 0.000005 Li\n0.744533 0.877764 0.500015 Li\n0.246629 0.868671 0.499997 V\n0.504646 0.126701 0.758082 V\n0.504638 0.126694 0.241919 V\n0.746618 0.368653 -0.000003 V\n0.004649 0.626702 0.258084 V\n0.004652 0.626689 0.741921 V\n0.499744 0.750116 0.000014 Zn\n-0.000284 0.250127 0.500001 Zn\n0.014495 0.992709 -0.000019 Zn\n0.514492 0.492721 0.499992 Zn\n0.480233 0.893602 0.267418 O\n0.980219 0.393603 0.767415 O\n0.508661 0.359963 0.228576 O\n0.008666 0.859967 0.728562 O\n0.280022 0.131371 -0.000022 O\n0.780031 0.631377 0.499989 O\n0.508636 0.359968 0.771405 O\n0.271645 0.114188 0.499980 O\n0.480251 0.893608 0.732601 O\n0.980235 0.393609 0.232594 O\n0.743109 0.128463 0.000022 O\n0.243123 0.628475 0.500025 O\n0.212779 0.626183 0.000015 O\n0.771651 0.614169 -0.000022 O\n0.008641 0.859972 0.271410 O\n0.712775 0.126181 0.500019 O\n",
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"formula_full": "Li2 V6 Zn4 O16",
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}
]
}