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"results": [
{
"id": "jvasp-99055",
"created_at": "2022-09-04T14:36:18.210609Z",
"updated_at": "2022-09-04T14:36:18.210639Z",
"structure_string": "Rb4 P4 O12\n1.0\n4.233310 0.000000 0.000000\n0.000000 6.423038 -0.706396\n0.000000 -0.052701 12.135439\nRb P O\n4 4 12\ndirect\n0.140447 0.777583 0.091796 Rb\n0.859553 0.222418 0.908204 Rb\n0.359553 0.277583 0.591796 Rb\n0.640447 0.722418 0.408204 Rb\n0.493623 0.318712 0.177968 P\n0.993623 0.181288 0.322032 P\n0.506376 0.681288 0.822032 P\n0.006377 0.818713 0.677968 P\n0.755042 0.651434 0.718435 O\n0.255042 0.848567 0.781565 O\n0.852776 0.026833 0.675770 O\n0.337954 0.212440 0.076347 O\n0.837954 0.287560 0.423653 O\n0.662046 0.787560 0.923653 O\n0.162046 0.712441 0.576347 O\n0.647224 0.526833 0.175769 O\n0.147224 0.973168 0.324230 O\n0.352776 0.473168 0.824230 O\n0.744958 0.151434 0.218435 O\n0.244958 0.348566 0.281565 O\n",
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{
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"structure_string": "Li2 H4 I2 O2\n1.0\n6.301453 0.000448 0.000000\n-0.000188 5.561005 0.000000\n0.000000 0.000000 4.346521\nLi H I O\n2 4 2 2\ndirect\n0.253160 0.746941 0.500000 Li\n0.753168 0.746503 0.500000 Li\n0.003440 0.400757 0.320892 H\n0.003440 0.400757 0.679108 H\n0.503319 0.092622 0.320884 H\n0.503319 0.092622 0.679116 H\n0.003237 0.005899 0.000000 I\n0.503268 0.487513 0.000000 I\n0.003370 0.511687 0.500000 O\n0.503274 0.981703 0.500000 O\n",
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"volume": 152.31257845113765,
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{
"id": "jvasp-50589",
"created_at": "2022-09-04T14:36:49.411230Z",
"updated_at": "2022-09-04T14:36:49.411262Z",
"structure_string": "Mg6 As4 O16\n1.0\n0.000000 5.375051 0.008927\n8.381607 0.000000 0.000000\n0.000000 -4.592598 -7.817052\nMg As O\n6 4 16\ndirect\n0.499999 0.000000 0.500000 Mg\n0.499401 0.357949 0.397032 Mg\n0.500598 0.857949 0.102967 Mg\n0.500000 0.500000 -0.000000 Mg\n0.499401 0.142051 0.897032 Mg\n0.500598 0.642052 0.602967 Mg\n0.146724 0.696372 0.192961 As\n0.853276 0.196372 0.307038 As\n0.853275 0.303628 0.807038 As\n0.146723 0.803628 0.692961 As\n0.704786 0.063782 0.140252 O\n0.769081 0.352106 0.960914 O\n0.216722 0.199099 0.386993 O\n0.230917 0.852106 0.539085 O\n0.326986 0.622526 0.757602 O\n0.783278 0.699100 0.113007 O\n0.295213 0.936219 0.859747 O\n0.230918 0.647894 0.039085 O\n0.673013 0.377475 0.242397 O\n0.769082 0.147894 0.460914 O\n0.783277 0.800901 0.613007 O\n0.295213 0.563782 0.359747 O\n0.704785 0.436219 0.640252 O\n0.326986 0.877475 0.257602 O\n0.216721 0.300901 0.886992 O\n0.673013 0.122525 0.742397 O\n",
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"density": 3.310945776230443,
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"volume": 351.82679681688535,
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"formula_full": "Mg6 As4 O16",
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{
"id": "jvasp-22033",
"created_at": "2022-09-04T14:37:32.957517Z",
"updated_at": "2022-09-04T14:37:32.957541Z",
"structure_string": "Ca8 Ga16 S32\n1.0\n11.341124 0.015419 -3.149712\n-6.541787 9.264252 -3.149712\n-0.014293 -0.027637 11.761278\nCa Ga S\n8 16 32\ndirect\n0.875000 0.125000 0.250000 Ca\n0.125000 0.875000 0.750000 Ca\n0.375000 0.625000 0.250000 Ca\n0.625000 0.375000 0.750000 Ca\n0.622711 0.872711 0.745425 Ca\n0.127288 0.377288 0.754575 Ca\n0.377288 0.127288 0.254575 Ca\n0.872711 0.622712 0.245425 Ca\n0.886295 0.863063 0.998830 Ga\n0.531823 0.641004 0.999655 Ga\n0.358995 0.468177 0.500345 Ga\n0.641349 0.032168 0.500345 Ga\n0.468177 0.358995 0.000345 Ga\n0.358650 0.967832 0.499655 Ga\n0.641004 0.531823 0.499655 Ga\n0.032168 0.641349 0.000345 Ga\n0.387466 0.864234 0.001170 Ga\n0.863063 0.886296 0.498830 Ga\n0.135766 0.612534 0.498830 Ga\n0.113704 0.136936 0.001170 Ga\n0.612534 0.135766 0.998830 Ga\n0.136936 0.113704 0.501170 Ga\n0.967832 0.358650 0.999655 Ga\n0.864233 0.387466 0.501170 Ga\n0.087672 0.587345 0.672284 S\n0.084612 0.084939 0.672284 S\n0.412655 0.912328 0.827716 S\n0.915060 0.915387 0.827716 S\n0.815512 0.149330 0.997496 S\n0.084939 0.084612 0.172284 S\n0.151835 0.318016 0.502505 S\n0.850669 0.184488 0.502505 S\n0.681983 0.848165 0.997496 S\n0.184488 0.850670 0.002505 S\n0.848165 0.681983 0.497496 S\n0.149330 0.815512 0.497495 S\n0.318016 0.151835 0.002505 S\n0.159484 0.346509 0.002673 S\n0.343837 0.656811 0.497328 S\n0.653490 0.840516 0.497328 S\n0.343188 0.656162 0.002673 S\n0.587345 0.087672 0.172284 S\n0.840516 0.653490 0.997328 S\n0.346509 0.159484 0.502673 S\n0.656811 0.343837 0.997328 S\n0.585511 0.085177 0.673360 S\n0.411818 0.412150 0.826641 S\n0.914822 0.414489 0.826641 S\n0.587849 0.588182 0.673360 S\n0.414489 0.914822 0.326641 S\n0.588182 0.587849 0.173360 S\n0.085177 0.585511 0.173359 S\n0.412150 0.411818 0.326641 S\n0.912328 0.412655 0.327716 S\n0.656162 0.343189 0.502673 S\n0.915387 0.915060 0.327716 S\n",
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"Ga",
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],
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"density_atomic": 0.04534648547106016,
"volume": 1234.9358372158488,
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"formula_full": "Ca8 Ga16 S32",
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-9490",
"created_at": "2022-09-04T14:38:28.821957Z",
"updated_at": "2022-09-04T14:38:28.821984Z",
"structure_string": "Mg2 Fe2 F10\n1.0\n4.988990 -0.477777 1.266405\n-1.694842 4.863860 1.513334\n0.754158 -0.606519 7.460903\nMg Fe F\n2 2 10\ndirect\n0.697221 0.475133 0.769453 Mg\n0.306841 0.527929 0.228766 Mg\n0.002029 0.001538 -0.000894 Fe\n0.502030 0.001512 0.499108 Fe\n0.624841 0.864779 0.258296 F\n0.379220 0.138254 0.739938 F\n0.465875 0.295203 0.343281 F\n0.158410 0.780906 0.121369 F\n0.256703 0.317030 0.038667 F\n0.902260 0.264752 0.438672 F\n0.747306 0.686040 -0.040440 F\n0.101787 0.738300 0.559551 F\n0.845567 0.222125 0.876885 F\n0.538140 0.707800 0.654943 F\n",
"nsites": 14,
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"density_atomic": 0.0796843109977248,
"volume": 175.6933055542105,
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"formula_full": "Mg2 Fe2 F10",
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"spacegroup": 2
},
{
"id": "jvasp-66387",
"created_at": "2022-09-04T14:36:06.583593Z",
"updated_at": "2022-09-04T14:36:06.583609Z",
"structure_string": "Ba1 Y1 Cl1\n1.0\n0.000000 4.033728 4.033728\n4.033728 -0.000000 4.033728\n4.033728 4.033728 -0.000000\nBa Y Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cl\n",
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},
{
"id": "jvasp-69108",
"created_at": "2022-09-04T14:35:41.467838Z",
"updated_at": "2022-09-04T14:35:41.467868Z",
"structure_string": "Ba1 Sr2 Sc1\n1.0\n4.195170 -0.000000 0.000000\n-0.000000 4.195423 0.000000\n0.000000 0.000000 10.189557\nBa Sr Sc\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.700364 Sr\n0.000000 0.000000 0.299636 Sr\n0.500000 0.500000 0.500000 Sc\n",
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},
{
"id": "jvasp-109821",
"created_at": "2022-09-04T14:38:05.831799Z",
"updated_at": "2022-09-04T14:38:05.831815Z",
"structure_string": "Li3 Fe1 F6\n1.0\n4.858339 -0.000000 0.000000\n-2.429169 4.207446 0.000000\n-0.000000 -0.000000 4.678798\nLi Fe F\n3 1 6\ndirect\n0.333334 0.666667 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.666667 0.333334 0.500000 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.692931 0.750330 F\n0.000000 0.307070 0.249671 F\n0.307070 0.307070 0.750330 F\n0.307070 0.000000 0.249671 F\n0.692930 0.692931 0.249671 F\n0.692930 0.000000 0.750330 F\n",
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{
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"created_at": "2022-09-04T14:37:58.920528Z",
"updated_at": "2022-09-04T14:37:58.920552Z",
"structure_string": "K2 Na1 Sb1 Br6\n1.0\n6.865758 -0.000000 3.963947\n2.288586 6.473099 3.963947\n-0.000000 -0.000000 7.927895\nK Na Sb Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.750991 0.249009 0.249009 Br\n0.249009 0.249009 0.750991 Br\n0.249009 0.750991 0.750991 Br\n0.249009 0.750991 0.249009 Br\n0.750991 0.249009 0.750991 Br\n0.750992 0.750991 0.249009 Br\n",
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{
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"created_at": "2022-09-04T14:37:16.753971Z",
"updated_at": "2022-09-04T14:37:16.753994Z",
"structure_string": "Ga2 P2 O8\n1.0\n4.919625 -0.009024 0.000000\n-0.025423 4.919568 0.000000\n0.000000 0.000000 6.828258\nGa P O\n2 2 8\ndirect\n0.822380 0.822380 0.750000 Ga\n0.177622 0.177622 0.250000 Ga\n0.325988 0.674013 0.000000 P\n0.674014 0.325988 0.500000 P\n0.816119 0.223499 0.312304 O\n0.183883 0.776502 0.812304 O\n0.776503 0.183883 0.687696 O\n0.727858 0.633549 0.526619 O\n0.223499 0.816119 0.187696 O\n0.633549 0.727858 0.973381 O\n0.366453 0.272143 0.473381 O\n0.272143 0.366453 0.026619 O\n",
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},
{
"id": "jvasp-69340",
"created_at": "2022-09-04T14:36:11.127058Z",
"updated_at": "2022-09-04T14:36:11.127085Z",
"structure_string": "Ba1 Sr2 Sc1\n1.0\n4.194357 0.000000 0.000000\n-0.000000 4.194357 0.000000\n0.000000 0.000000 10.196363\nBa Sr Sc\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.700394 Sr\n0.000000 0.000000 0.299605 Sr\n0.500000 0.500000 0.500000 Sc\n",
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"formula_full": "Ba1 Sr2 Sc1",
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"spacegroup": 123
},
{
"id": "jvasp-69038",
"created_at": "2022-09-04T14:36:16.264821Z",
"updated_at": "2022-09-04T14:36:16.264831Z",
"structure_string": "Ba1 Sr2 Sc1\n1.0\n4.195282 0.000000 -0.000000\n0.000000 4.195282 -0.000000\n-0.000000 -0.000000 10.192043\nBa Sr Sc\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.700380 Sr\n0.000000 0.000000 0.299620 Sr\n0.500000 0.500000 0.500000 Sc\n",
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}
]
}