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{
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"results": [
{
"id": "jvasp-21174",
"created_at": "2022-09-04T14:37:30.593891Z",
"updated_at": "2022-09-04T14:37:30.593912Z",
"structure_string": "Rb2 U2 N6 O22\n1.0\n7.689832 -0.003075 2.984275\n2.041911 7.413779 2.984275\n-0.004038 -0.003075 8.248601\nRb U N O\n2 2 6 22\ndirect\n0.500000 0.499999 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.750000 0.749999 0.749999 U\n0.250000 0.250000 0.250000 U\n0.564362 0.935637 0.249999 N\n0.064362 0.750000 0.435637 N\n0.750000 0.435637 0.064362 N\n0.435637 0.064362 0.750000 N\n0.935637 0.249999 0.564362 N\n0.250000 0.564362 0.935637 N\n0.846045 0.846044 0.846045 O\n0.878788 0.437432 0.916901 O\n0.437433 0.916901 0.878788 O\n0.937433 0.378787 0.416901 O\n0.378788 0.416901 0.937433 O\n0.416901 0.937433 0.378788 O\n0.083099 0.121211 0.562567 O\n0.121212 0.562567 0.083098 O\n0.562567 0.083098 0.121212 O\n0.750000 0.304190 0.195810 O\n0.304190 0.195809 0.750000 O\n0.804190 0.249999 0.695810 O\n0.695810 0.804190 0.249999 O\n0.062567 0.621212 0.583098 O\n0.621212 0.583098 0.062566 O\n0.583099 0.062566 0.621212 O\n0.916901 0.878787 0.437432 O\n0.153955 0.153955 0.153955 O\n0.346045 0.346045 0.346045 O\n0.653954 0.653954 0.653954 O\n0.195810 0.750000 0.304190 O\n0.250000 0.695809 0.804190 O\n",
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{
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"updated_at": "2022-09-04T14:38:06.833305Z",
"structure_string": "Li3 V4 O5 F7\n1.0\n5.728718 0.049403 0.002393\n-0.768426 5.604148 0.002440\n-0.880152 -1.198729 5.912820\nLi V O F\n3 4 5 7\ndirect\n0.591754 0.317202 0.141621 Li\n0.117517 0.589121 0.310406 Li\n0.635512 0.842420 0.355875 Li\n0.302764 0.155671 0.637047 V\n0.854201 0.405255 0.666478 V\n0.376106 0.679691 0.853739 V\n0.024666 -0.001612 0.996888 V\n0.188145 0.440948 0.580008 O\n0.034428 0.669802 0.883846 O\n0.572135 0.411942 0.797022 O\n0.969237 0.118911 0.720975 O\n0.334918 0.050802 0.938713 O\n0.589353 0.181505 0.414087 F\n0.809729 0.611115 0.443631 F\n0.458018 0.840893 0.601428 F\n0.930959 0.294045 0.136367 F\n0.384387 0.575518 0.154694 F\n0.129804 0.958633 0.324886 F\n0.696365 0.858134 0.042288 F\n",
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"formula_full": "Li3 V4 O5 F7",
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{
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"created_at": "2022-09-04T14:38:49.917342Z",
"updated_at": "2022-09-04T14:38:49.917367Z",
"structure_string": "Rb1 Zn1 H2\n1.0\n3.388986 0.000000 0.000000\n0.000000 3.388986 0.000000\n0.000000 -0.000000 5.782845\nRb Zn H\n1 1 2\ndirect\n0.500001 0.500001 0.562465 Rb\n0.000000 0.000000 0.061878 Zn\n0.000000 0.000000 0.355816 H\n0.500001 0.500001 0.029844 H\n",
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"formula_full": "Rb1 Zn1 H2",
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{
"id": "jvasp-32242",
"created_at": "2022-09-04T14:37:50.709836Z",
"updated_at": "2022-09-04T14:37:50.709857Z",
"structure_string": "Sb2 As2 F16\n1.0\n5.578779 -0.120510 0.000000\n-0.760149 6.920990 0.000000\n0.000000 0.000000 7.864369\nSb As F\n2 2 16\ndirect\n0.806336 0.217756 0.750000 Sb\n0.193664 0.782244 0.250000 Sb\n0.497016 0.689117 0.750000 As\n0.502984 0.310883 0.250000 As\n0.032287 0.446332 0.750000 F\n0.967713 0.553668 0.250000 F\n0.534624 0.373843 0.750000 F\n0.465376 0.626157 0.250000 F\n0.540842 0.994218 0.750000 F\n0.459158 0.005782 0.250000 F\n0.221105 0.784944 0.491856 F\n0.709189 0.702867 0.584300 F\n0.290811 0.297133 0.084300 F\n0.038972 0.044277 0.750000 F\n0.961028 0.955723 0.250000 F\n0.221105 0.784944 0.008144 F\n0.778895 0.215056 0.508144 F\n0.778895 0.215056 0.991856 F\n0.709189 0.702867 0.915700 F\n0.290811 0.297133 0.415700 F\n",
"nsites": 20,
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{
"id": "jvasp-90639",
"created_at": "2022-09-04T14:35:49.754007Z",
"updated_at": "2022-09-04T14:35:49.754030Z",
"structure_string": "Fe2 F6\n1.0\n4.370090 -0.063411 3.125948\n1.572958 4.077684 3.125948\n-0.093879 -0.063411 5.372190\nFe F\n2 6\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.885248 0.250000 0.614752 F\n0.250000 0.614752 0.885248 F\n0.385248 0.114752 0.750000 F\n0.750000 0.385248 0.114752 F\n0.114752 0.749999 0.385248 F\n0.614753 0.885247 0.250000 F\n",
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"volume": 98.03713177899506,
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},
{
"id": "jvasp-10816",
"created_at": "2022-09-04T14:37:17.698746Z",
"updated_at": "2022-09-04T14:37:17.698770Z",
"structure_string": "Mg1 Ni4 S8\n1.0\n6.803075 0.015820 0.011186\n3.415238 5.915366 -0.000000\n3.415238 1.971789 5.577061\nMg Ni S\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.265824 0.259978 0.259978 S\n0.265824 0.259978 0.714221 S\n0.265824 0.714221 0.259978 S\n0.716649 0.261117 0.261118 S\n0.283352 0.738883 0.738883 S\n0.734177 0.740022 0.285780 S\n0.734177 0.285780 0.740022 S\n0.734177 0.740023 0.740022 S\n",
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"elements": [
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"density": 3.8224695689867536,
"density_atomic": 0.058039887509727,
"volume": 223.98389379754238,
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"formula_full": "Mg1 Ni4 S8",
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"formula_anonymous": "AB4C8",
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},
{
"id": "jvasp-30265",
"created_at": "2022-09-04T14:38:28.495283Z",
"updated_at": "2022-09-04T14:38:28.495304Z",
"structure_string": "V3 O4 F4\n1.0\n4.625905 0.201664 0.000000\n0.196469 9.444603 0.000000\n0.000000 0.000000 2.914172\nV O F\n3 4 4\ndirect\n0.000981 0.872036 0.750000 V\n0.448074 0.363484 0.750000 V\n0.544447 0.637661 0.250000 V\n0.286701 0.469071 0.250000 O\n0.316454 0.726598 0.750000 O\n0.710335 0.530834 0.750000 O\n0.823198 0.775119 0.250000 O\n0.233251 0.218832 0.750000 F\n0.215995 0.955696 0.250000 F\n0.701761 0.290439 0.250000 F\n0.747920 0.019708 0.750000 F\n",
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"density": 3.8224507789670974,
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"volume_molar": 6.964016486966888,
"formula_full": "V3 O4 F4",
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"formula_anonymous": "A3B4C4",
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"spacegroup": 6
},
{
"id": "jvasp-8652",
"created_at": "2022-09-04T14:37:04.347034Z",
"updated_at": "2022-09-04T14:37:04.347059Z",
"structure_string": "Rb2 Mn1 Br4\n1.0\n5.073835 -0.000000 -1.502561\n-0.444967 5.054286 -1.502561\n-0.019194 -0.020958 9.253112\nRb Mn Br\n2 1 4\ndirect\n0.359180 0.359179 0.718359 Rb\n0.640821 0.640821 0.281641 Rb\n0.000000 0.000000 0.000000 Mn\n0.159151 0.159150 0.318300 Br\n-0.000000 0.500000 0.000000 Br\n0.840850 0.840850 0.681701 Br\n0.500000 0.000000 0.000000 Br\n",
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"formula_full": "Rb2 Mn1 Br4",
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},
{
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"created_at": "2022-09-04T14:38:52.116323Z",
"updated_at": "2022-09-04T14:38:52.116343Z",
"structure_string": "Na1 In1 F1\n1.0\n4.903872 0.000000 -0.000000\n-2.451936 4.246878 -0.000000\n0.000000 -0.000000 3.270938\nNa In F\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Na\n0.333332 0.666667 0.000000 In\n0.000000 0.000000 0.000000 F\n",
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},
{
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"created_at": "2022-09-04T14:36:15.042041Z",
"updated_at": "2022-09-04T14:36:15.042059Z",
"structure_string": "Sr4 Y8 S16\n1.0\n3.984472 0.000000 0.000000\n0.000000 11.983402 0.000000\n0.000000 0.000000 14.328306\nSr Y S\n4 8 16\ndirect\n0.750000 0.742436 0.837883 Sr\n0.250000 0.257563 0.162117 Sr\n0.750000 0.242436 0.662117 Sr\n0.250000 0.757563 0.337883 Sr\n0.750000 0.580822 0.100655 Y\n0.750000 0.080822 0.399345 Y\n0.250000 0.919178 0.600655 Y\n0.750000 0.068406 0.890145 Y\n0.250000 0.931594 0.109855 Y\n0.750000 0.568406 0.609855 Y\n0.250000 0.431594 0.390145 Y\n0.250000 0.419178 0.899346 Y\n0.250000 0.522257 0.216053 S\n0.750000 0.477743 0.783948 S\n0.250000 0.631116 0.973030 S\n0.250000 0.913672 0.921143 S\n0.750000 0.086328 0.078857 S\n0.250000 0.413672 0.578858 S\n0.750000 0.586328 0.421143 S\n0.250000 0.207705 0.825030 S\n0.750000 0.792295 0.174970 S\n0.250000 0.707705 0.674970 S\n0.750000 0.292295 0.325030 S\n0.750000 0.868884 0.473030 S\n0.250000 0.131116 0.526971 S\n0.750000 0.368884 0.026971 S\n0.750000 0.977743 0.716053 S\n0.250000 0.022257 0.283947 S\n",
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},
{
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"created_at": "2022-09-04T14:38:03.503004Z",
"updated_at": "2022-09-04T14:38:03.503027Z",
"structure_string": "Li2 Cr2 Si2 O8\n1.0\n-4.059549 4.022002 0.117923\n4.059549 0.117923 4.022002\n-0.000000 3.904079 -3.904079\nLi Cr Si O\n2 2 2 8\ndirect\n0.995937 0.004061 0.004062 Li\n0.254061 0.745937 0.245938 Li\n0.624999 0.874999 0.625000 Cr\n0.125000 0.375000 0.625000 Cr\n0.624999 0.374999 0.625000 Si\n0.624999 0.374999 0.125000 Si\n0.844390 0.155610 0.893175 O\n0.844390 0.155610 0.418045 O\n0.420388 0.161781 0.870698 O\n0.838217 0.579611 0.870698 O\n0.411781 0.170388 0.379303 O\n0.829611 0.588217 0.379303 O\n0.405609 0.594390 0.356825 O\n0.405609 0.594390 0.831955 O\n",
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"volume": 131.2256866830718,
"volume_molar": 5.644711118093685,
"formula_full": "Li2 Cr2 Si2 O8",
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},
{
"id": "jvasp-101243",
"created_at": "2022-09-04T14:37:11.592785Z",
"updated_at": "2022-09-04T14:37:11.592805Z",
"structure_string": "Na2 Mn2 N2\n1.0\n3.022204 0.001318 -0.000005\n-1.509960 2.619827 0.000012\n-0.000017 0.000036 10.087224\nNa Mn N\n2 2 2\ndirect\n0.666853 0.333814 0.757899 Na\n0.333147 0.666209 0.257899 Na\n0.999997 0.000391 0.513863 Mn\n0.000001 -0.000372 0.013869 Mn\n0.333428 0.666535 0.572876 N\n0.666572 0.333493 0.072871 N\n",
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}
]
}