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"results": [
{
"id": "jvasp-30126",
"created_at": "2022-09-04T14:37:59.248087Z",
"updated_at": "2022-09-04T14:37:59.248115Z",
"structure_string": "Mo4 O12\n1.0\n0.000000 5.378324 1.334016\n0.000000 3.639822 8.339813\n5.345825 0.000000 0.000000\nMo O\n4 12\ndirect\n0.732041 0.997886 0.993137 Mo\n0.232042 0.997886 0.506864 Mo\n0.889582 0.497894 0.493122 Mo\n0.389583 0.497894 0.006879 Mo\n0.082129 0.460961 0.213575 O\n0.582129 0.460961 0.286425 O\n0.448930 0.047584 0.201179 O\n0.948929 0.047584 0.298822 O\n0.539461 0.753948 0.420519 O\n0.039461 0.753947 0.079482 O\n0.573432 0.547598 0.798986 O\n0.073433 0.547597 0.701015 O\n0.070007 0.253961 0.579523 O\n0.570007 0.253962 0.920478 O\n0.613212 0.960969 0.713664 O\n0.113212 0.960969 0.786337 O\n",
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{
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"updated_at": "2022-09-04T14:38:51.386152Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.523523 -0.140480 -1.293956\n-0.199543 5.539884 -1.416724\n0.046971 0.050251 6.380494\nLi Mn Co O\n7 2 3 12\ndirect\n0.822448 0.832956 0.323583 Li\n0.658210 0.164546 0.674744 Li\n0.494513 0.505539 0.996415 Li\n0.339638 0.834375 0.332607 Li\n0.182845 0.163514 0.677632 Li\n0.001258 0.499998 0.995963 Li\n0.498149 0.997760 0.996205 Li\n0.003650 0.995082 0.997428 Mn\n0.826475 0.330060 0.331275 Mn\n0.332496 0.330647 0.330988 Co\n0.169851 0.670401 0.668863 Co\n0.665764 0.670049 0.668118 Co\n0.921143 0.901647 0.680215 O\n0.077603 0.097203 0.321208 O\n0.915444 0.432385 0.651531 O\n0.759573 0.758992 0.986615 O\n0.588303 0.108383 0.340276 O\n0.412568 0.438913 0.651037 O\n0.236187 0.758980 0.989677 O\n0.585451 0.564903 0.343814 O\n0.416730 0.892947 0.662574 O\n0.240108 0.240048 0.011931 O\n0.084912 0.566110 0.349441 O\n0.766677 0.244552 0.017849 O\n",
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{
"id": "jvasp-61044",
"created_at": "2022-09-04T14:36:01.742117Z",
"updated_at": "2022-09-04T14:36:01.742147Z",
"structure_string": "As16 Se12\n1.0\n8.027923 -0.000000 0.000000\n0.000000 9.430569 0.000000\n0.000000 0.000000 10.528332\nAs Se\n16 12\ndirect\n0.250000 0.030577 0.087769 As\n0.591596 0.140845 0.772659 As\n0.408403 0.359155 0.272659 As\n0.908403 0.640845 0.727341 As\n0.408403 0.859156 0.227341 As\n0.591596 0.640845 0.727341 As\n0.908403 0.140845 0.772659 As\n0.091596 0.359155 0.272659 As\n0.091596 0.859156 0.227341 As\n0.750000 0.834374 0.434245 As\n0.750000 0.334374 0.065755 As\n0.250000 0.165626 0.565755 As\n0.250000 0.530577 0.412231 As\n0.750000 0.969423 0.912231 As\n0.750000 0.469423 0.587769 As\n0.250000 0.665626 0.934245 As\n0.750000 0.082739 0.115816 Se\n0.250000 0.417261 0.615816 Se\n0.521875 0.332146 0.913620 Se\n0.478125 0.167855 0.413620 Se\n0.021875 0.667855 0.086380 Se\n0.521875 0.832146 0.586380 Se\n0.478125 0.667855 0.086380 Se\n0.978124 0.332146 0.913620 Se\n0.021875 0.167855 0.413620 Se\n0.750000 0.582739 0.384184 Se\n0.978124 0.832146 0.586380 Se\n0.250000 0.917261 0.884184 Se\n",
"nsites": 28,
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"density": 4.471280292766742,
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"volume": 797.0777143775032,
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"formula_full": "As16 Se12",
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"spacegroup": 62
},
{
"id": "jvasp-120417",
"created_at": "2022-09-04T14:38:51.961908Z",
"updated_at": "2022-09-04T14:38:51.961942Z",
"structure_string": "Ca1 Nb2 Cu1 Br1 O7\n1.0\n3.933525 0.000000 0.000000\n0.000000 3.933525 0.000000\n-0.000000 -0.000000 11.552651\nCa Nb Cu Br O\n1 2 1 1 7\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.815936 Nb\n0.499999 0.499999 0.184064 Nb\n0.499999 0.499999 0.500000 Cu\n0.000000 0.000000 0.500000 Br\n-0.000000 0.499999 0.152214 O\n0.499999 -0.000000 0.152214 O\n0.499999 0.499999 0.344749 O\n0.499999 -0.000000 0.847786 O\n-0.000000 0.499999 0.847786 O\n0.499999 0.499999 0.655251 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 12,
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],
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"density": 4.471492062319022,
"density_atomic": 0.06713295482681866,
"volume": 178.74976650374057,
"volume_molar": 8.970468789188825,
"formula_full": "Ca1 Nb2 Cu1 Br1 O7",
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"formula_anonymous": "ABCD2E7",
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{
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"created_at": "2022-09-04T14:36:56.486987Z",
"updated_at": "2022-09-04T14:36:56.487013Z",
"structure_string": "Mn2 O2 F2\n1.0\n3.749193 0.000019 -0.000250\n-0.000045 5.602019 -0.000599\n0.000216 0.000407 3.180344\nMn O F\n2 2 2\ndirect\n0.250004 0.169066 0.760659 Mn\n0.749999 0.830939 0.260647 Mn\n0.250000 0.916114 0.200982 O\n0.750000 0.083883 0.700987 O\n0.249999 0.382625 0.288362 F\n0.749996 0.617377 0.788359 F\n",
"nsites": 6,
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"density_atomic": 0.08982449200637369,
"volume": 66.79692660632311,
"volume_molar": 6.704341572644448,
"formula_full": "Mn2 O2 F2",
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"spacegroup": 31
},
{
"id": "jvasp-9946",
"created_at": "2022-09-04T14:37:10.850513Z",
"updated_at": "2022-09-04T14:37:10.850538Z",
"structure_string": "Ca4 Y2 Sn2 O10\n1.0\n-5.854335 0.147993 -0.012839\n0.078168 -6.073196 0.006385\n2.711362 2.869084 7.687801\nCa Y Sn O\n4 2 2 10\ndirect\n0.343636 0.797760 0.727451 Ca\n0.108718 0.611382 0.234182 Ca\n0.631926 0.115746 0.216117 Ca\n0.807625 0.240939 0.715642 Ca\n0.714167 0.664284 0.455061 Y\n0.210338 0.183927 0.471738 Y\n0.480893 0.463320 0.965375 Sn\n0.004702 0.927777 0.985713 Sn\n0.801486 0.594449 0.943814 O\n0.352357 0.788885 0.016411 O\n0.973058 0.415941 0.369285 O\n0.962974 0.883666 0.730311 O\n0.565940 0.358001 0.505021 O\n0.208134 0.372025 0.732357 O\n0.413526 0.873321 0.495370 O\n0.608873 0.143815 0.909620 O\n0.883747 0.900531 0.350655 O\n0.434645 0.438546 0.179474 O\n",
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"density_atomic": 0.065899623551325,
"volume": 273.1426832200483,
"volume_molar": 9.138353810640115,
"formula_full": "Ca4 Y2 Sn2 O10",
"formula_reduced": "Ca2YSnO5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 1
},
{
"id": "jvasp-8310",
"created_at": "2022-09-04T14:37:02.551758Z",
"updated_at": "2022-09-04T14:37:02.551783Z",
"structure_string": "Zn1 Sb1 F6\n1.0\n4.698432 0.110268 3.158159\n1.739713 4.365870 3.158159\n0.158603 0.110268 5.658981\nZn Sb F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Sb\n0.392071 0.110025 0.748144 F\n0.110024 0.748144 0.392073 F\n0.251855 0.607928 0.889976 F\n0.889974 0.251856 0.607928 F\n0.607927 0.889976 0.251857 F\n0.748143 0.392072 0.110025 F\n",
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"formula_full": "Zn1 Sb1 F6",
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"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"id": "jvasp-116599",
"created_at": "2022-09-04T14:38:42.380166Z",
"updated_at": "2022-09-04T14:38:42.380191Z",
"structure_string": "Rb3 Dy1 P2 O8\n1.0\n5.738362 -0.000000 0.000000\n-2.869180 4.969568 0.000000\n-0.000000 -0.000000 7.928091\nRb Dy P O\n3 1 2 8\ndirect\n0.333333 0.666667 0.736598 Rb\n0.666666 0.333333 0.263402 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Dy\n0.333333 0.666667 0.268190 P\n0.666666 0.333333 0.731810 P\n0.333333 0.666667 0.076596 O\n0.666666 0.333333 0.923404 O\n0.185802 0.814198 0.338029 O\n0.814198 0.185802 0.661971 O\n0.185802 0.371605 0.338029 O\n0.814198 0.628395 0.661971 O\n0.628395 0.814198 0.338029 O\n0.371605 0.185802 0.661971 O\n",
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"volume": 226.0867994322549,
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"formula_full": "Rb3 Dy1 P2 O8",
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{
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"created_at": "2022-09-04T14:35:47.417469Z",
"updated_at": "2022-09-04T14:35:47.417478Z",
"structure_string": "Ba4 Ge8 P8\n1.0\n7.714454 0.000000 0.000000\n0.000000 7.714454 0.000000\n0.000000 0.000000 8.598950\nBa Ge P\n4 8 8\ndirect\n0.000000 0.000000 0.998024 Ba\n0.500000 0.000000 0.026853 Ba\n0.000000 0.500000 0.526853 Ba\n0.000000 0.000000 0.498024 Ba\n0.500000 0.668626 0.365559 Ge\n0.668626 0.500000 0.865559 Ge\n0.331373 0.500000 0.865559 Ge\n0.500000 0.331373 0.365559 Ge\n0.500000 0.833599 0.615137 Ge\n0.166400 0.500000 0.115137 Ge\n0.833599 0.500000 0.115137 Ge\n0.500000 0.166400 0.615137 Ge\n0.247216 0.767075 0.756533 P\n0.767075 0.752783 0.256533 P\n0.232924 0.247216 0.256533 P\n0.752783 0.232924 0.756533 P\n0.767075 0.247216 0.256533 P\n0.232924 0.752783 0.256533 P\n0.752783 0.767075 0.756533 P\n0.247216 0.232924 0.756533 P\n",
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{
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"created_at": "2022-09-04T14:38:42.620515Z",
"updated_at": "2022-09-04T14:38:42.620532Z",
"structure_string": "Ga2 I1\n1.0\n5.608393 -0.000000 0.000000\n-2.804197 4.857011 0.000000\n0.000000 0.000000 3.630532\nGa I\n2 1\ndirect\n0.333333 0.666666 0.000000 Ga\n0.666666 0.333333 0.000000 Ga\n0.000000 0.000000 0.000000 I\n",
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},
{
"id": "jvasp-117256",
"created_at": "2022-09-04T14:38:51.967196Z",
"updated_at": "2022-09-04T14:38:51.967222Z",
"structure_string": "Li4 V6 Te2 O16\n1.0\n5.115323 -0.009574 2.837950\n1.591834 9.595472 -2.837157\n-0.136029 0.094869 6.274790\nLi V Te O\n4 6 2 16\ndirect\n0.316294 0.561227 0.367401 Li\n0.816295 0.061231 0.367401 Li\n0.186417 0.937863 0.627156 Li\n0.686435 0.437860 0.627155 Li\n-0.002967 0.509252 0.005950 V\n0.734637 0.246862 0.005947 V\n0.497013 0.009255 0.005954 V\n0.759413 0.746862 0.005948 V\n0.234624 0.746867 0.005964 V\n0.259408 0.246867 0.005960 V\n0.736672 0.754437 0.526626 Te\n0.236704 0.254437 0.526626 Te\n0.652282 0.624820 0.222187 O\n0.878307 0.373903 0.775492 O\n0.378277 0.873909 0.775518 O\n0.346207 0.373908 0.775516 O\n0.846203 0.873903 0.775488 O\n0.152282 0.124832 0.222224 O\n0.625526 0.124821 0.222192 O\n0.609007 0.130330 0.781974 O\n0.388900 0.361444 0.222206 O\n0.888888 0.861445 0.222206 O\n0.907081 0.364307 0.185834 O\n0.407081 0.864307 0.185837 O\n0.612239 0.639948 0.775521 O\n0.109017 0.630331 0.781977 O\n0.125489 0.624831 0.222225 O\n0.112244 0.139948 0.775519 O\n",
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"volume": 313.5930174008438,
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"formula_full": "Li4 V6 Te2 O16",
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{
"id": "jvasp-36644",
"created_at": "2022-09-04T14:37:17.448923Z",
"updated_at": "2022-09-04T14:37:17.448944Z",
"structure_string": "Ca1 Mn1 O3\n1.0\n3.758618 -0.000000 0.000000\n-0.000000 3.758618 -0.000000\n0.000000 -0.000000 3.758618\nCa Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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}
]
}