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{
"id": "jvasp-11684",
"created_at": "2022-09-04T14:38:09.784670Z",
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"structure_string": "Ba3 Mn3 O9\n1.0\n5.306586 -0.002821 5.668511\n2.237378 4.811860 5.668511\n-0.004426 -0.002821 7.764783\nBa Mn O\n3 3 9\ndirect\n0.781744 0.781744 0.781743 Ba\n0.218256 0.218256 0.218256 Ba\n0.000000 0.000000 0.000000 Ba\n0.619044 0.619044 0.619043 Mn\n0.380956 0.380956 0.380956 Mn\n0.500000 0.500000 0.499999 Mn\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500001 0.500000 -0.000001 O\n0.294040 0.294041 0.736606 O\n0.294041 0.736606 0.294040 O\n0.736606 0.294041 0.294040 O\n0.705959 0.263394 0.705959 O\n0.705960 0.705960 0.263393 O\n0.263394 0.705960 0.705959 O\n",
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{
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"updated_at": "2022-09-04T14:38:05.685781Z",
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{
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"created_at": "2022-09-04T14:37:33.696206Z",
"updated_at": "2022-09-04T14:37:33.696215Z",
"structure_string": "Ce1 B2 Pt2 C1\n1.0\n3.828447 -0.000000 -0.000000\n-0.000000 3.828447 -0.000000\n-1.914223 -1.914223 5.416678\nCe B Pt C\n1 2 2 1\ndirect\n0.500000 0.500000 0.000000 Ce\n0.136375 0.136375 0.272749 B\n0.863626 0.863626 0.727252 B\n0.250001 0.750001 0.500000 Pt\n0.750001 0.250001 0.500000 Pt\n0.000000 0.000000 0.000000 C\n",
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"volume": 79.39228428503833,
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"formula_full": "Ce1 B2 Pt2 C1",
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{
"id": "jvasp-41267",
"created_at": "2022-09-04T14:37:46.019877Z",
"updated_at": "2022-09-04T14:37:46.019899Z",
"structure_string": "Mg4 Zn2 B4 Ir10\n1.0\n9.477088 -0.000000 0.000000\n-0.000000 9.477088 0.000000\n-0.000000 -0.000000 2.946166\nMg Zn B Ir\n4 2 4 10\ndirect\n0.676606 0.176606 0.000000 Mg\n0.323394 0.823394 0.000000 Mg\n0.176606 0.323394 0.000000 Mg\n0.823394 0.676606 0.000000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.372621 0.127380 0.000000 B\n0.627380 0.872621 0.000000 B\n0.872621 0.372621 0.000000 B\n0.127380 0.627380 0.000000 B\n0.000000 0.500000 0.500001 Ir\n0.784692 0.929338 0.500001 Ir\n0.215308 0.070663 0.500001 Ir\n0.284692 0.570663 0.500001 Ir\n0.715308 0.429337 0.500001 Ir\n0.570663 0.715308 0.500001 Ir\n0.429337 0.284692 0.500001 Ir\n0.929338 0.215308 0.500001 Ir\n0.070663 0.784692 0.500001 Ir\n0.500000 0.000000 0.500001 Ir\n",
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{
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"structure_string": "Ca1 Ga1 O2\n1.0\n3.286614 0.000000 0.000000\n0.000000 3.286614 -0.000000\n0.000000 -0.000000 4.899302\nCa Ga O\n1 1 2\ndirect\n0.500000 0.500000 0.520882 Ca\n0.000000 0.000000 0.040460 Ga\n0.000000 0.000000 0.441240 O\n0.500000 0.500000 0.007417 O\n",
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{
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"created_at": "2022-09-04T14:38:51.387285Z",
"updated_at": "2022-09-04T14:38:51.387311Z",
"structure_string": "Y1 Zr2 Co9\n1.0\n4.594606 0.000000 1.371539\n-2.502013 4.090411 0.000000\n-0.017561 -0.010742 8.440480\nY Zr Co\n1 2 9\ndirect\n0.278884 0.139442 0.581675 Y\n0.727889 0.863944 0.408168 Zr\n0.001068 0.000534 -0.001603 Zr\n0.659900 0.579581 0.760521 Co\n0.159162 0.579581 0.760521 Co\n0.659900 0.080319 0.760521 Co\n0.337662 0.419751 0.242587 Co\n0.839503 0.419751 0.242587 Co\n0.337663 0.917910 0.242587 Co\n0.665524 0.332761 0.001716 Co\n0.332648 0.666324 0.001029 Co\n0.000209 0.500104 0.499688 Co\n",
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"formula_anonymous": "AB2C9",
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{
"id": "jvasp-21274",
"created_at": "2022-09-04T14:37:28.044934Z",
"updated_at": "2022-09-04T14:37:28.044960Z",
"structure_string": "Ca6 Te2 O12\n1.0\n0.000000 5.600326 -0.005910\n5.852534 0.000000 0.000000\n0.000000 -5.557204 -8.067308\nCa Te O\n6 2 12\ndirect\n0.728554 0.555594 0.745003 Ca\n0.271448 0.055595 0.754998 Ca\n0.271447 0.444405 0.254997 Ca\n0.728554 0.944405 0.245003 Ca\n0.500000 0.500000 0.000000 Ca\n0.500001 0.000000 0.500000 Ca\n0.000001 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.889876 0.555781 0.274095 O\n0.110125 0.055782 0.225905 O\n0.334178 0.178774 0.050678 O\n0.665823 0.678774 0.449322 O\n0.665824 0.821225 0.949322 O\n0.241418 0.724007 0.071087 O\n0.758584 0.275992 0.928914 O\n0.241418 0.775992 0.571087 O\n0.889877 0.944218 0.774095 O\n0.758583 0.224007 0.428913 O\n0.334178 0.321225 0.550678 O\n0.110126 0.444218 0.725906 O\n",
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"volume": 264.6070954516518,
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"formula_full": "Ca6 Te2 O12",
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{
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"created_at": "2022-09-04T14:36:11.258981Z",
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"structure_string": "Li1 Be2 Ge1\n1.0\n2.620429 0.000000 -0.000000\n-0.000000 2.620429 0.000000\n0.000000 -0.000000 7.706721\nLi Be Ge\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.743901 Be\n0.000000 0.000000 0.256099 Be\n0.500000 0.500000 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:38:14.759817Z",
"updated_at": "2022-09-04T14:38:14.759845Z",
"structure_string": "Na2 Sr2 P6 O18\n1.0\n6.874642 0.000139 0.017779\n0.909408 7.108095 -0.007660\n1.307560 0.666686 7.583093\nNa Sr P O\n2 2 6 18\ndirect\n0.460077 0.371707 0.349058 Na\n0.539923 0.628293 0.650942 Na\n0.011629 0.729791 0.642420 Sr\n0.988371 0.270209 0.357580 Sr\n0.397779 0.881111 0.273610 P\n0.206133 0.662619 0.050791 P\n0.602221 0.118889 0.726390 P\n0.164011 0.209644 0.732633 P\n0.835989 0.790356 0.267366 P\n0.793867 0.337382 0.949208 P\n0.259028 0.652717 0.856093 O\n0.354155 0.733074 0.424453 O\n0.645845 0.266926 0.575547 O\n0.313175 0.831274 0.103309 O\n0.686825 0.168727 0.896691 O\n0.231128 0.489576 0.174653 O\n0.768872 0.510424 0.825347 O\n0.740972 0.347283 0.143907 O\n0.633020 0.854053 0.195171 O\n0.028700 0.255029 0.919119 O\n0.822675 0.616391 0.396633 O\n0.177325 0.383609 0.603366 O\n0.662182 0.914961 0.700874 O\n0.366980 0.145947 0.804828 O\n0.916231 0.946726 0.337913 O\n0.083769 0.053274 0.662087 O\n0.971300 0.744971 0.080881 O\n0.337818 0.085039 0.299126 O\n",
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{
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"structure_string": "Ca4 Fe4 O8\n1.0\n3.150037 -0.160274 -0.011030\n0.394923 7.739083 0.127375\n0.066986 0.704746 8.671549\nCa Fe O\n4 4 8\ndirect\n0.749974 0.708912 0.963930 Ca\n0.250027 0.291089 0.036071 Ca\n0.749878 0.924774 0.283243 Ca\n0.250123 0.075227 0.716758 Ca\n0.750087 0.423183 0.717914 Fe\n0.249921 0.691261 0.638710 Fe\n0.750079 0.308740 0.361291 Fe\n0.249914 0.576818 0.282087 Fe\n0.749983 0.469351 0.163941 O\n0.750027 0.256625 0.573819 O\n0.249974 0.743375 0.426182 O\n0.250018 0.530650 0.836060 O\n0.750089 0.195753 0.882363 O\n0.750097 0.846336 0.713054 O\n0.249912 0.804248 0.117638 O\n0.249904 0.153665 0.286947 O\n",
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"formula_full": "Ca4 Fe4 O8",
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}
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