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{
"id": "jvasp-94182",
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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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"structure_string": "Ni2 Sn4 Au1\n1.0\n4.181030 0.002646 8.359560\n1.976038 3.684603 8.359560\n0.004418 0.002646 9.346831\nNi Sn Au\n2 4 1\ndirect\n0.599578 0.599579 0.599577 Ni\n0.400422 0.400423 0.400422 Ni\n0.700371 0.700372 0.700370 Sn\n0.888579 0.888580 0.888577 Sn\n0.299629 0.299629 0.299628 Sn\n0.111422 0.111422 0.111421 Sn\n0.500000 0.500001 0.499999 Au\n",
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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",
"nsites": 8,
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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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"volume": 75.81768992156495,
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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",
"nsites": 18,
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"elements": [
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"density": 4.962151125793448,
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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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"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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