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{
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"structure_string": "Mg6 Si1 Ni1\n1.0\n6.135792 0.030955 0.000000\n-3.041088 5.329228 0.000000\n0.000000 0.000000 4.624007\nMg Si Ni\n6 1 1\ndirect\n0.166099 0.852182 0.250000 Mg\n0.647818 0.333901 0.250000 Mg\n0.662679 0.837322 0.250000 Mg\n0.324766 0.642042 0.750001 Mg\n0.857958 0.175235 0.750001 Mg\n0.832268 0.667733 0.750001 Mg\n0.317441 0.182559 0.750001 Si\n0.190970 0.309030 0.250000 Ni\n",
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{
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"updated_at": "2022-09-04T14:35:45.488399Z",
"structure_string": "Mn2 Be2 Zn1\n1.0\n-1.771200 1.771200 4.810583\n1.771200 -1.771200 4.810583\n1.771200 1.771200 -4.810583\nMn Be Zn\n2 2 1\ndirect\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.605210 0.605210 0.000000 Be\n0.394789 0.394789 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n",
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{
"id": "jvasp-67308",
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"updated_at": "2022-09-04T14:35:45.491142Z",
"structure_string": "Ca1 Zr1 Be1\n1.0\n-1.631621 1.631621 6.177014\n1.631621 -1.631621 6.177014\n1.631621 1.631621 -6.177014\nCa Zr Be\n1 1 1\ndirect\n0.355115 0.355115 0.000000 Ca\n0.625488 0.625488 0.000000 Zr\n0.019397 0.019397 0.000000 Be\n",
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"elements": [
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"volume": 65.77746764391074,
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},
{
"id": "jvasp-53982",
"created_at": "2022-09-04T14:35:45.493630Z",
"updated_at": "2022-09-04T14:35:45.493656Z",
"structure_string": "B4 N4\n1.0\n2.590151 -0.000000 0.000000\n-0.000000 4.296621 0.000000\n0.000000 0.000000 4.859099\nB N\n4 4\ndirect\n0.750000 0.091787 0.661427 B\n0.250000 0.591787 0.838573 B\n0.750000 0.408213 0.161427 B\n0.250000 0.908212 0.338573 B\n0.750000 0.393055 0.820108 N\n0.250000 0.606944 0.179892 N\n0.250000 0.893055 0.679892 N\n0.750000 0.106944 0.320108 N\n",
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{
"id": "jvasp-69324",
"created_at": "2022-09-04T14:35:45.500285Z",
"updated_at": "2022-09-04T14:35:45.500313Z",
"structure_string": "Ba1 Re1 Br2\n1.0\n4.268084 0.000000 0.000000\n0.000000 4.269509 0.000000\n0.000000 0.000000 6.778400\nBa Re Br\n1 1 2\ndirect\n0.500000 0.500000 0.776175 Ba\n0.000000 0.000000 0.444296 Re\n0.000000 0.000000 0.984524 Br\n0.500000 0.500000 0.295005 Br\n",
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{
"id": "jvasp-65176",
"created_at": "2022-09-04T14:35:45.501639Z",
"updated_at": "2022-09-04T14:35:45.501652Z",
"structure_string": "Mn4 Be1 Sb1\n1.0\n0.000000 3.359285 3.359285\n3.359285 -0.000000 3.359285\n3.359285 3.359285 0.000000\nMn Be Sb\n4 1 1\ndirect\n0.121797 0.626067 0.626067 Mn\n0.626067 0.626067 0.626067 Mn\n0.626067 0.121797 0.626067 Mn\n0.626067 0.626067 0.121797 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Sb\n",
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{
"id": "jvasp-48003",
"created_at": "2022-09-04T14:35:45.504509Z",
"updated_at": "2022-09-04T14:35:45.504536Z",
"structure_string": "Mn6 O10 F2\n1.0\n5.337167 -0.007901 0.036343\n1.474180 5.162892 0.010604\n2.051783 1.461057 6.419030\nMn O F\n6 10 2\ndirect\n0.348828 0.333324 0.159425 Mn\n0.642902 0.695058 0.332661 Mn\n0.357098 0.304943 0.667338 Mn\n0.651172 0.666677 0.840574 Mn\n-0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.694119 0.306949 0.997839 O\n0.305881 0.693052 0.002160 O\n0.642852 0.018221 0.670085 O\n0.566485 0.561176 0.629714 O\n0.233563 0.231968 0.963700 O\n0.433515 0.438825 0.370285 O\n0.766438 0.768033 0.036299 O\n0.109422 0.089671 0.704118 O\n0.357149 0.981779 0.329914 O\n0.890578 0.910330 0.295881 O\n0.035211 0.603580 0.676891 F\n0.964789 0.396420 0.323108 F\n",
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"elements": [
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"formula_full": "Mn6 O10 F2",
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"formula_anonymous": "AB3C5",
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"spacegroup": 2
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{
"id": "jvasp-75837",
"created_at": "2022-09-04T14:35:45.507882Z",
"updated_at": "2022-09-04T14:35:45.507906Z",
"structure_string": "Zr1 As1 Pt1\n1.0\n-0.000000 3.144031 3.144031\n3.144031 -0.000000 3.144031\n3.144031 3.144031 -0.000000\nZr As Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 Pt\n",
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{
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"created_at": "2022-09-04T14:35:45.508125Z",
"updated_at": "2022-09-04T14:35:45.508144Z",
"structure_string": "Mn2 H8 C4 O12\n1.0\n5.364629 0.000146 1.940825\n2.618321 5.667154 1.147761\n0.042008 0.012767 8.268410\nMn H C O\n2 8 4 12\ndirect\n0.938542 0.249995 0.750003 Mn\n0.061460 0.750004 0.249996 Mn\n0.010817 0.798915 0.856674 H\n0.666417 0.701078 0.643317 H\n0.156220 0.802048 0.649566 H\n0.333583 0.298922 0.356682 H\n0.843779 0.197953 0.350433 H\n0.392174 0.302047 0.149571 H\n0.989184 0.201086 0.143326 H\n0.607825 0.697954 0.850427 H\n0.511655 0.751933 0.350171 C\n0.386242 0.251928 0.850174 C\n0.488347 0.248070 0.649829 C\n0.613756 0.748073 0.149825 C\n0.671288 0.755789 0.423170 O\n0.328711 0.244213 0.576830 O\n0.277353 0.750868 0.425101 O\n0.149755 0.255786 0.923176 O\n0.722648 0.249133 0.574898 O\n0.850247 0.744217 0.076823 O\n0.250546 0.364821 0.260828 O\n0.876187 0.135194 0.239171 O\n0.123813 0.864805 0.760829 O\n0.546684 0.250863 0.925102 O\n0.453317 0.749139 0.074898 O\n0.749453 0.635179 0.739170 O\n",
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{
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"structure_string": "Fe8 O14 F2\n1.0\n5.224155 0.007720 -0.035008\n1.535105 4.984751 -0.039975\n0.555257 0.406012 8.374707\nFe O F\n8 14 2\ndirect\n0.111283 0.128381 0.383549 Fe\n0.373071 0.390858 0.118322 Fe\n0.493014 0.500636 0.497486 Fe\n0.260798 0.261690 0.751345 Fe\n0.773985 0.723718 0.248132 Fe\n0.628178 0.629602 0.876204 Fe\n0.860131 0.861564 0.614748 Fe\n-0.001313 0.007206 0.011669 Fe\n0.697473 0.306645 0.998097 O\n0.945086 0.553403 0.747850 O\n0.301459 0.703604 0.999408 O\n0.799684 0.196311 0.504040 O\n0.552526 0.948134 0.748946 O\n0.973364 0.971701 0.227403 O\n0.718738 0.718144 0.467976 O\n0.531296 0.524060 0.274444 O\n0.472541 0.478558 0.721819 O\n0.781845 0.776896 0.029496 O\n0.276288 0.275994 0.527890 O\n0.188298 0.802465 0.501748 O\n0.064691 0.436754 0.250632 O\n0.224441 0.228717 0.972247 O\n0.449082 0.050297 0.249648 F\n0.024032 0.024654 0.776891 F\n",
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{
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"structure_string": "Na1 Be2 Fe1\n1.0\n-1.812821 1.812821 3.706268\n1.812821 -1.812821 3.706268\n1.812821 1.812821 -3.706268\nNa Be Fe\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Fe\n",
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