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{
"id": "jvasp-122023",
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"structure_string": "Mn2 V2 P4 O16\n1.0\n4.779385 0.016395 -0.000008\n-0.245145 9.806703 0.000027\n0.000012 -0.000017 5.805997\nMn V P O\n2 2 4 16\ndirect\n0.929474 0.276598 0.250000 Mn\n0.070525 0.723402 0.750001 Mn\n0.436945 0.223515 0.750000 V\n0.563055 0.776484 0.250000 V\n0.396058 0.088063 0.250000 P\n0.603940 0.911937 0.750001 P\n0.876790 0.408207 0.750000 P\n0.123209 0.591791 0.250000 P\n0.717019 0.333424 0.545860 O\n0.717018 0.333424 0.954141 O\n0.743349 0.837480 0.961328 O\n0.743349 0.837481 0.538673 O\n0.256651 0.162518 0.461324 O\n0.256652 0.162518 0.038677 O\n0.831072 0.560948 0.750000 O\n0.287095 0.890689 0.750001 O\n0.811992 0.622202 0.250000 O\n0.188010 0.377797 0.750001 O\n0.282981 0.666574 0.045862 O\n0.712902 0.109310 0.250000 O\n0.321883 0.935559 0.250000 O\n0.678117 0.064441 0.750000 O\n0.168925 0.439051 0.250000 O\n0.282981 0.666574 0.454138 O\n",
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{
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"structure_string": "H2 Pb2 F2\n1.0\n4.859390 0.000000 -0.020532\n0.000000 4.345323 0.000000\n-2.214521 0.000000 5.172736\nH Pb F\n2 2 2\ndirect\n0.548680 0.250000 0.626501 H\n0.451321 0.750000 0.373499 H\n0.650248 0.750000 0.785606 Pb\n0.349752 0.250000 0.214394 Pb\n0.164126 0.750000 0.807276 F\n0.835874 0.250000 0.192724 F\n",
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{
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"structure_string": "Li4 Rh2 O6\n1.0\n5.112358 0.000044 0.013935\n2.555446 4.412964 0.006855\n1.699451 0.000181 4.804962\nLi Rh O\n4 2 6\ndirect\n0.500295 0.500185 0.500048 Li\n0.160231 0.180340 0.500062 Li\n0.840382 0.820009 0.500065 Li\n0.000297 0.500148 0.000068 Li\n0.333759 0.833271 0.000051 Rh\n0.666841 0.167034 0.000056 Rh\n0.426089 0.153053 0.764354 O\n0.574503 0.847251 0.235758 O\n0.266214 0.500140 0.239485 O\n0.078956 0.847325 0.764392 O\n0.921649 0.152973 0.235715 O\n0.734384 0.500171 0.760625 O\n",
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{
"id": "jvasp-48499",
"created_at": "2022-09-04T14:35:41.104959Z",
"updated_at": "2022-09-04T14:35:41.104980Z",
"structure_string": "V6 O10 F2\n1.0\n-4.661355 4.661355 2.893338\n-0.080828 4.607042 -2.935320\n-4.607042 0.080828 -2.935320\nV O F\n6 10 2\ndirect\n0.839532 0.670597 0.670597 V\n0.671751 0.357939 0.357939 V\n0.328250 0.642061 0.642061 V\n0.160469 0.329403 0.329403 V\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.000000 0.701785 0.298215 O\n0.331355 0.961009 0.363264 O\n0.668646 0.636737 0.038991 O\n0.000000 0.298215 0.701785 O\n0.368374 0.427009 0.427009 O\n0.959323 0.234642 0.234642 O\n0.631627 0.572991 0.572991 O\n0.331355 0.363264 0.961009 O\n0.668646 0.038991 0.636737 O\n0.040678 0.765358 0.765358 O\n0.304929 0.893993 0.893993 F\n0.695072 0.106007 0.106007 F\n",
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{
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"created_at": "2022-09-04T14:35:40.897842Z",
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"structure_string": "Li2 B12 H20 O4\n1.0\n4.464199 5.387480 0.018070\n-4.464199 5.387480 0.018070\n0.000000 3.480553 6.336140\nLi B H O\n2 12 20 4\ndirect\n0.361669 0.361669 0.516499 Li\n0.638330 0.638330 0.483501 Li\n0.798324 0.997157 0.221169 B\n0.949248 0.949248 0.810555 B\n0.823867 0.823867 0.084070 B\n0.176133 0.176133 0.915930 B\n0.090962 0.768707 0.968265 B\n0.050752 0.050752 0.189445 B\n0.909037 0.231293 0.031735 B\n0.768707 0.090962 0.968265 B\n0.997157 0.798324 0.221169 B\n0.201676 0.002843 0.778831 B\n0.002843 0.201676 0.778831 B\n0.231293 0.909037 0.031735 B\n0.603705 0.155356 0.946239 H\n0.087133 0.087133 0.322173 H\n0.912867 0.912867 0.677827 H\n0.698236 0.698236 0.145293 H\n0.301763 0.301763 0.854707 H\n0.155356 0.603705 0.946239 H\n0.396295 0.844644 0.053761 H\n0.844644 0.396295 0.053761 H\n0.992587 0.654158 0.379116 H\n0.721855 0.546534 0.830989 H\n0.007413 0.345841 0.620883 H\n0.654158 0.992587 0.379116 H\n0.453465 0.278145 0.169011 H\n0.546534 0.721855 0.830989 H\n0.278145 0.453465 0.169011 H\n0.757523 0.300956 0.376994 H\n0.699044 0.242476 0.623006 H\n0.242476 0.699044 0.623006 H\n0.300956 0.757523 0.376994 H\n0.345841 0.007413 0.620883 H\n0.376007 0.376007 0.242136 O\n0.337940 0.662059 0.500000 O\n0.662059 0.337940 0.500000 O\n0.623993 0.623993 0.757864 O\n",
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"formula_full": "Li2 B12 H20 O4",
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"formula_anonymous": "AB2C6D10",
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},
{
"id": "jvasp-99100",
"created_at": "2022-09-04T14:35:41.010133Z",
"updated_at": "2022-09-04T14:35:41.010158Z",
"structure_string": "Ba2 U1 Cu2 S5\n1.0\n3.968363 -0.000036 0.923397\n1.509315 6.512257 2.501555\n-0.017898 0.012677 9.063804\nBa U Cu S\n2 1 2 5\ndirect\n0.823510 0.651109 0.701821 Ba\n0.176489 0.348892 0.298178 Ba\n0.000000 0.000000 0.000000 U\n0.445774 0.810669 0.298130 Cu\n0.554225 0.189332 0.701869 Cu\n0.612101 0.713359 0.062528 S\n0.854332 0.984111 0.307366 S\n0.387899 0.286641 0.937471 S\n0.500000 0.500000 0.500000 S\n0.145668 0.015889 0.692634 S\n",
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],
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"density_atomic": 0.042692017116119585,
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"formula_full": "Ba2 U1 Cu2 S5",
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},
{
"id": "jvasp-86695",
"created_at": "2022-09-04T14:35:41.048650Z",
"updated_at": "2022-09-04T14:35:41.048673Z",
"structure_string": "Rb2 Hg2 Pd1 Cl8\n1.0\n6.368097 0.039047 1.932409\n2.754388 5.741736 1.932409\n-0.037039 -0.023470 9.834079\nRb Hg Pd Cl\n2 2 1 8\ndirect\n0.397295 0.397295 0.829109 Rb\n0.602705 0.602706 0.170891 Rb\n0.866074 0.866075 0.400908 Hg\n0.133926 0.133926 0.599092 Hg\n0.000000 0.000000 0.000000 Pd\n0.085111 0.085111 0.305976 Cl\n0.106719 0.623961 0.134386 Cl\n0.647880 0.647881 0.503489 Cl\n0.376039 0.893282 0.865614 Cl\n0.352119 0.352120 0.496511 Cl\n0.623961 0.106720 0.134386 Cl\n0.893281 0.376040 0.865614 Cl\n0.914889 0.914890 0.694024 Cl\n",
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{
"id": "jvasp-60852",
"created_at": "2022-09-04T14:35:41.406783Z",
"updated_at": "2022-09-04T14:35:41.406794Z",
"structure_string": "Nd2 Ni5 B4\n1.0\n2.562248 4.895294 0.002173\n-2.562248 4.895294 0.002173\n0.000000 3.951740 5.504567\nNd Ni B\n2 5 4\ndirect\n0.726448 0.726448 0.350201 Nd\n0.273552 0.273552 0.649799 Nd\n0.822544 0.325674 0.130659 Ni\n0.674325 0.177455 0.869340 Ni\n0.177455 0.674325 0.869340 Ni\n0.325674 0.822544 0.130659 Ni\n-0.000000 -0.000000 0.500000 Ni\n0.221739 0.221739 0.160706 B\n0.778260 0.778260 0.839294 B\n0.599040 0.599040 0.862127 B\n0.400960 0.400960 0.137873 B\n",
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{
"id": "jvasp-85720",
"created_at": "2022-09-04T14:35:41.420240Z",
"updated_at": "2022-09-04T14:35:41.420263Z",
"structure_string": "Mn6 O12\n1.0\n0.000020 2.871420 0.000003\n0.151111 -0.000177 8.848269\n6.948717 -1.435826 0.059830\nMn O\n6 12\ndirect\n0.342747 0.257096 0.679816 Mn\n0.342612 0.757065 0.679797 Mn\n0.661805 0.244651 0.317916 Mn\n0.661671 0.744659 0.317890 Mn\n0.002219 0.000867 0.998845 Mn\n0.002224 0.500864 0.998864 Mn\n0.226861 0.642443 0.448268 O\n0.227008 0.142445 0.448313 O\n0.896513 0.644183 0.787573 O\n0.896645 0.144239 0.787620 O\n0.107782 0.857520 0.210093 O\n0.444718 0.396513 0.883842 O\n0.444664 0.896538 0.883775 O\n0.777550 0.359305 0.549422 O\n0.559723 0.605215 0.113889 O\n0.559768 0.105188 0.113926 O\n0.107898 0.357520 0.210124 O\n0.777419 0.859284 0.549416 O\n",
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{
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"structure_string": "Er6 Fe2 Si6\n1.0\n4.071110 0.000000 0.670524\n2.007176 5.187230 0.507568\n0.006074 -0.044655 12.657327\nEr Fe Si\n6 2 6\ndirect\n0.748736 0.732111 0.770417 Er\n0.251264 0.267890 0.229583 Er\n0.523761 0.332192 0.620286 Er\n0.476239 0.667809 0.379714 Er\n0.399152 0.282652 0.919044 Er\n0.600848 0.717349 0.080956 Er\n0.753060 0.078505 0.415375 Fe\n0.246940 0.921496 0.584625 Fe\n0.144793 0.254408 0.456005 Si\n0.855206 0.745593 0.543995 Si\n0.115566 0.844127 0.924741 Si\n0.884433 0.155875 0.075259 Si\n0.054279 0.133744 0.757697 Si\n0.945721 0.866257 0.242303 Si\n",
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{
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"created_at": "2022-09-04T14:35:41.669857Z",
"updated_at": "2022-09-04T14:35:41.669883Z",
"structure_string": "Li4 Fe2 O6\n1.0\n-2.851451 0.000016 -0.000318\n-0.000130 -5.784207 0.003448\n1.425176 1.508548 5.941805\nLi Fe O\n4 2 6\ndirect\n0.673627 0.826553 0.347002 Li\n0.993021 0.506758 0.986317 Li\n0.333326 0.166661 0.666659 Li\n0.333329 0.666666 0.666667 Li\n0.672807 0.340021 0.345622 Fe\n0.993852 0.993305 0.987704 Fe\n0.507241 0.229410 0.014503 O\n0.821239 0.408704 0.642504 O\n0.845423 0.924622 0.690825 O\n0.504035 0.781726 0.008026 O\n0.159422 0.103920 0.318823 O\n0.162628 0.551603 0.325302 O\n",
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"volume": 98.01267505513493,
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{
"id": "jvasp-85411",
"created_at": "2022-09-04T14:35:41.776800Z",
"updated_at": "2022-09-04T14:35:41.776827Z",
"structure_string": "Eu2 Mo2 Cl2 O8\n1.0\n6.167805 0.000993 1.504621\n1.789394 5.902533 1.504621\n0.012356 0.009168 6.910233\nEu Mo Cl O\n2 2 2 8\ndirect\n0.221858 0.221858 0.890096 Eu\n0.778141 0.778141 0.109904 Eu\n0.362558 0.362558 0.269423 Mo\n0.637442 0.637442 0.730577 Mo\n0.990288 0.990288 0.760815 Cl\n0.009712 0.009712 0.239184 Cl\n0.114627 0.489605 0.152509 O\n0.460027 0.460027 0.795149 O\n0.489605 0.114627 0.152510 O\n0.294135 0.294135 0.532883 O\n0.885372 0.510394 0.847490 O\n0.510394 0.885372 0.847490 O\n0.705864 0.705864 0.467117 O\n0.539972 0.539972 0.204851 O\n",
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}
]
}