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"id": "jvasp-30586",
"created_at": "2022-09-04T14:37:19.580320Z",
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{
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{
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"updated_at": "2022-09-04T14:38:28.529875Z",
"structure_string": "Mg2 Ni2 F10\n1.0\n4.880318 -0.437458 1.162368\n-1.751207 4.697262 1.417641\n0.610341 -0.539709 7.303481\nMg Ni F\n2 2 10\ndirect\n0.699601 0.470709 0.762148 Mg\n0.296705 0.524879 0.239634 Mg\n-0.001837 0.997797 0.000883 Ni\n0.498150 -0.002210 0.500887 Ni\n0.625781 0.875757 0.257763 F\n0.370547 0.119843 0.744001 F\n0.487742 0.305582 0.350995 F\n0.120590 0.749405 0.119984 F\n0.267851 0.290230 0.047431 F\n0.892119 0.241016 0.463851 F\n0.728485 0.705349 -0.045657 F\n0.104186 0.754540 0.537903 F\n0.875759 0.246175 0.881750 F\n0.508540 0.690003 0.650799 F\n",
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{
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"created_at": "2022-09-04T14:37:16.689438Z",
"updated_at": "2022-09-04T14:37:16.689449Z",
"structure_string": "Ca1 Cu3 Sn4 O12\n1.0\n6.328265 -0.000000 -2.237379\n-3.164132 5.480439 -2.237379\n-0.000000 0.000000 6.712138\nCa Cu Sn O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500001 0.500000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.693104 0.523635 0.830533 O\n0.169468 0.306897 0.476365 O\n0.523636 0.830532 0.693103 O\n0.693104 0.862571 0.169468 O\n0.137430 0.830532 0.306897 O\n0.169468 0.693103 0.862571 O\n0.306898 0.476365 0.169468 O\n0.830533 0.693103 0.523635 O\n0.862571 0.169468 0.693103 O\n0.830533 0.306897 0.137430 O\n0.476366 0.169468 0.306897 O\n0.306897 0.137429 0.830532 O\n",
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{
"id": "jvasp-8810",
"created_at": "2022-09-04T14:36:39.325881Z",
"updated_at": "2022-09-04T14:36:39.325903Z",
"structure_string": "Ti2 O4\n1.0\n3.797994 -0.009707 -0.273924\n-0.009707 3.797994 -0.273924\n-1.547893 -1.547893 5.065309\nTi O\n2 4\ndirect\n0.374996 0.125004 0.250000 Ti\n0.625004 0.874996 0.750001 Ti\n0.582911 0.332842 0.665684 O\n0.417089 0.667158 0.334317 O\n0.167159 0.917089 0.834318 O\n0.832841 0.082910 0.165684 O\n",
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"formula_full": "Ti2 O4",
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{
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"created_at": "2022-09-04T14:38:09.460873Z",
"updated_at": "2022-09-04T14:38:09.460902Z",
"structure_string": "Ti2 O4\n1.0\n3.571590 -0.000000 -1.320816\n-0.488453 3.538031 -1.320816\n0.010453 0.011995 5.517600\nTi O\n2 4\ndirect\n0.875000 0.625000 0.249999 Ti\n0.125000 0.375001 0.750000 Ti\n0.332854 0.582854 0.165708 O\n0.082854 0.832855 0.665708 O\n0.917146 0.167146 0.334291 O\n0.667146 0.417147 0.834291 O\n",
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{
"id": "jvasp-112728",
"created_at": "2022-09-04T14:38:43.629352Z",
"updated_at": "2022-09-04T14:38:43.629383Z",
"structure_string": "Mg8 V2 N8\n1.0\n5.322021 0.003018 0.706549\n1.659894 4.774606 1.821865\n0.002257 0.001638 8.247278\nMg V N\n8 2 8\ndirect\n0.727909 0.626593 0.203953 Mg\n0.272090 0.373409 0.796048 Mg\n0.754419 0.245851 0.998110 Mg\n0.245580 0.754151 0.001890 Mg\n0.743926 0.468414 0.580525 Mg\n0.256073 0.531588 0.419476 Mg\n0.252931 0.944353 0.593174 Mg\n0.747068 0.055649 0.406827 Mg\n0.271521 0.156786 0.233789 V\n0.728478 0.843216 0.766211 V\n0.992226 0.697083 0.617761 N\n0.007773 0.302919 0.382239 N\n0.834506 0.851319 0.963271 N\n0.165494 0.148683 0.036730 N\n0.513110 0.612669 0.803859 N\n0.486889 0.387333 0.196141 N\n0.490879 0.816727 0.379813 N\n0.509120 0.183275 0.620188 N\n",
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"density_atomic": 0.08591679561069536,
"volume": 209.5050202007216,
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"formula_full": "Mg8 V2 N8",
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{
"id": "jvasp-89325",
"created_at": "2022-09-04T14:36:08.810291Z",
"updated_at": "2022-09-04T14:36:08.810299Z",
"structure_string": "Li1 Ga1 As2 O7\n1.0\n4.712508 -0.006148 -0.732247\n-0.999712 5.109465 -1.092658\n-0.010023 0.001477 5.319786\nLi Ga As O\n1 1 2 7\ndirect\n0.499999 0.248561 0.751442 Li\n0.500000 0.624433 0.375567 Ga\n0.906107 0.180637 0.251052 As\n0.093896 0.748948 0.819364 As\n0.659938 0.354430 0.139161 O\n0.340063 0.860837 0.645569 O\n0.230445 0.614746 0.060599 O\n0.769558 0.939398 0.385253 O\n0.772731 0.545238 0.660980 O\n0.227269 0.339019 0.454762 O\n0.000001 0.054430 0.945571 O\n",
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"formula_full": "Li1 Ga1 As2 O7",
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{
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"structure_string": "Mg2 Mn4 O8\n1.0\n2.841641 0.000154 0.000314\n1.420298 7.442154 0.070705\n1.419721 2.007779 7.724382\nMg Mn O\n2 4 8\ndirect\n0.309476 0.216927 0.164024 Mg\n0.685807 0.815297 0.813021 Mg\n0.608828 0.618563 0.163661 Mn\n0.145240 0.203842 0.505545 Mn\n0.849987 0.828392 0.471502 Mn\n0.386427 0.413667 0.813385 Mn\n0.852767 0.578274 0.716062 O\n0.442061 0.782294 0.333460 O\n0.553175 0.249948 0.643584 O\n0.142486 0.453956 0.260984 O\n0.125262 0.748771 0.000621 O\n0.757962 0.130644 0.353313 O\n0.870002 0.283454 0.976425 O\n0.237293 0.901587 0.623736 O\n",
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{
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"structure_string": "Na1 Os1 O3\n1.0\n3.875169 0.000005 -0.000218\n0.000040 3.875184 -0.000721\n0.000195 0.000749 3.875202\nNa Os O\n1 1 3\ndirect\n0.000006 0.002017 0.012130 Na\n0.500000 0.501993 0.511986 Os\n-0.000001 0.502008 0.511954 O\n0.500000 0.501989 0.011976 O\n0.499991 0.001994 0.511951 O\n",
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{
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}