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{
"id": "jvasp-66528",
"created_at": "2022-09-04T14:35:49.492358Z",
"updated_at": "2022-09-04T14:35:49.492391Z",
"structure_string": "Ba1 Tl1 Zn1\n1.0\n-0.000000 3.888799 3.888799\n3.888799 0.000000 3.888799\n3.888799 3.888799 0.000000\nBa Tl Zn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Zn\n",
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{
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"structure_string": "Nd2 Br6\n1.0\n4.126670 -0.000000 0.000000\n-2.063335 6.342270 0.000000\n0.000000 0.000000 9.192225\nNd Br\n2 6\ndirect\n0.743326 0.486652 0.250000 Nd\n0.256675 0.513348 0.750000 Nd\n0.355531 0.711059 0.435219 Br\n0.644470 0.288941 0.564780 Br\n0.919976 0.839949 0.750000 Br\n0.080025 0.160051 0.250000 Br\n0.355531 0.711059 0.064780 Br\n0.644470 0.288941 0.935219 Br\n",
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{
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"structure_string": "Be1 Tl1 Ga4\n1.0\n0.000000 3.958919 3.958919\n3.958919 0.000000 3.958919\n3.958919 3.958919 0.000000\nBe Tl Ga\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Tl\n0.122550 0.625817 0.625817 Ga\n0.625817 0.625817 0.625817 Ga\n0.625817 0.122550 0.625817 Ga\n0.625817 0.625817 0.122550 Ga\n",
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{
"id": "jvasp-108001",
"created_at": "2022-09-04T14:35:43.784481Z",
"updated_at": "2022-09-04T14:35:43.784501Z",
"structure_string": "Yb3 Al1\n1.0\n4.719584 -0.000000 2.724853\n1.573195 4.449667 2.724853\n-0.000000 -0.000000 5.449706\nYb Al\n3 1\ndirect\n0.749998 0.750001 0.750000 Yb\n0.249999 0.250000 0.250000 Yb\n0.499999 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Al\n",
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"spacegroup": 225
},
{
"id": "jvasp-107999",
"created_at": "2022-09-04T14:35:42.037321Z",
"updated_at": "2022-09-04T14:35:42.037347Z",
"structure_string": "Yb2 Ag1 Sb1\n1.0\n4.541945 -0.000000 2.622293\n1.513982 4.282187 2.622293\n-0.000000 -0.000000 5.244586\nYb Ag Sb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750001 0.749999 Yb\n0.500000 0.500000 0.499999 Ag\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"elements": [
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"density": 9.37201126339923,
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"volume": 102.00435426229203,
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},
{
"id": "jvasp-93135",
"created_at": "2022-09-04T14:35:41.928571Z",
"updated_at": "2022-09-04T14:35:41.928606Z",
"structure_string": "La1 Mg6 Sb1\n1.0\n7.151213 -0.357274 0.000000\n-3.885015 6.014495 0.000000\n0.000000 0.000000 4.950679\nLa Mg Sb\n1 6 1\ndirect\n0.193303 0.306697 0.250000 La\n0.156988 0.794117 0.250000 Mg\n0.705882 0.343012 0.250000 Mg\n0.647366 0.852634 0.250000 Mg\n0.313714 0.678248 0.750000 Mg\n0.821751 0.186287 0.750000 Mg\n0.792915 0.707085 0.750000 Mg\n0.368083 0.131917 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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"volume": 206.06171588012745,
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{
"id": "jvasp-94081",
"created_at": "2022-09-04T14:35:43.504591Z",
"updated_at": "2022-09-04T14:35:43.504619Z",
"structure_string": "Mg6 V1 Sn1\n1.0\n6.254189 0.034223 0.000000\n-3.097457 5.433398 0.000000\n0.000000 0.000000 5.016328\nMg V Sn\n6 1 1\ndirect\n0.164079 0.825920 0.250000 Mg\n0.674080 0.335920 0.250000 Mg\n0.665253 0.834747 0.250000 Mg\n0.328686 0.658412 0.750000 Mg\n0.841588 0.171314 0.750000 Mg\n0.830924 0.669075 0.750000 Mg\n0.168121 0.331879 0.250000 V\n0.327267 0.172733 0.750000 Sn\n",
"nsites": 8,
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"volume": 170.99409211281338,
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"spacegroup": 38
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{
"id": "jvasp-94825",
"created_at": "2022-09-04T14:35:42.294901Z",
"updated_at": "2022-09-04T14:35:42.294918Z",
"structure_string": "Ca1 Rh1 F6\n1.0\n4.662173 0.038934 3.383584\n1.746345 4.322922 3.383583\n0.057202 0.038935 5.760315\nCa Rh F\n1 1 6\ndirect\n0.500000 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 Rh\n0.384118 0.066403 0.779716 F\n0.066405 0.779716 0.384117 F\n0.220284 0.615880 0.933595 F\n0.933596 0.220282 0.615881 F\n0.615883 0.933595 0.220282 F\n0.779717 0.384117 0.066403 F\n",
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"density": 3.727107288668332,
"density_atomic": 0.06987530811722693,
"volume": 114.48965615405557,
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"formula_full": "Ca1 Rh1 F6",
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"formula_anonymous": "ABC6",
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"spacegroup": 148
},
{
"id": "jvasp-91402",
"created_at": "2022-09-04T14:35:53.439344Z",
"updated_at": "2022-09-04T14:35:53.439367Z",
"structure_string": "Ba4 Mg6 F20\n1.0\n5.697595 0.000000 -1.832872\n-0.902879 7.260793 -2.806652\n0.004954 0.010640 9.787492\nBa Mg F\n4 6 20\ndirect\n0.717436 0.315029 0.434875 Ba\n0.282562 0.684971 0.565124 Ba\n0.614027 0.719592 0.228056 Ba\n0.385972 0.280408 0.771944 Ba\n0.253734 -0.000000 0.000000 Mg\n0.177197 0.016179 0.354395 Mg\n0.746265 -0.000000 0.000000 Mg\n0.073825 0.453853 0.147651 Mg\n0.926173 0.546147 0.852348 Mg\n0.822801 0.983821 0.645605 Mg\n0.866345 0.256602 0.732691 F\n0.780513 0.500000 0.000000 F\n0.219486 0.500000 0.000000 F\n0.517107 0.180965 0.034215 F\n0.482891 0.819035 0.965785 F\n0.236520 0.281027 0.473041 F\n0.763478 0.718973 0.526959 F\n0.133653 0.743397 0.267309 F\n0.021788 0.181971 0.043576 F\n0.089840 0.526911 0.704154 F\n0.614313 0.526911 0.704154 F\n0.910158 0.473089 0.295845 F\n0.385686 0.473089 0.295845 F\n-0.000000 -0.000000 0.500000 F\n0.636347 0.973910 0.778625 F\n0.857722 0.026090 0.221374 F\n0.363651 0.026090 0.221374 F\n0.142276 0.973910 0.778625 F\n0.978210 0.818028 0.956424 F\n0.499999 -0.000000 0.500000 F\n",
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"formula_full": "Ba4 Mg6 F20",
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"spacegroup": 12
},
{
"id": "jvasp-15985",
"created_at": "2022-09-04T14:35:43.318462Z",
"updated_at": "2022-09-04T14:35:43.318492Z",
"structure_string": "Rb6 As2\n1.0\n3.028910 -5.246226 0.000000\n3.028910 5.246226 -0.000000\n-0.000000 -0.000000 10.691612\nRb As\n6 2\ndirect\n0.333333 0.666667 0.580342 Rb\n0.666667 0.333333 0.080342 Rb\n0.666667 0.333333 0.419658 Rb\n0.333333 0.666667 0.919658 Rb\n0.000000 0.000000 0.750000 Rb\n0.000000 0.000000 0.250000 Rb\n0.666667 0.333333 0.750000 As\n0.333333 0.666667 0.250000 As\n",
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{
"id": "jvasp-98083",
"created_at": "2022-09-04T14:35:42.627827Z",
"updated_at": "2022-09-04T14:35:42.627838Z",
"structure_string": "Sb4 I4 Cl8 F24\n1.0\n7.809982 -0.002994 -0.000000\n-0.913610 7.756362 0.000000\n0.000000 0.000000 13.033347\nSb I Cl F\n4 4 8 24\ndirect\n0.300208 0.699792 0.559946 Sb\n0.199792 0.800208 0.059946 Sb\n0.800208 0.199792 0.940055 Sb\n0.699792 0.300208 0.440054 Sb\n0.336494 0.163506 0.750000 I\n0.663506 0.836494 0.250000 I\n0.836494 0.663506 0.750000 I\n0.163506 0.336494 0.250000 I\n0.793681 0.880248 0.634952 Cl\n0.293681 0.380248 0.865048 Cl\n0.380248 0.293682 0.134952 Cl\n0.706318 0.619752 0.134952 Cl\n0.880248 0.793682 0.365048 Cl\n0.619752 0.706319 0.865048 Cl\n0.119752 0.206319 0.634952 Cl\n0.206319 0.119752 0.365048 Cl\n0.526816 0.205685 0.534155 F\n0.473183 0.794315 0.465845 F\n0.294315 0.973183 0.965845 F\n0.145897 0.854103 0.509767 F\n0.876758 0.382384 0.339704 F\n0.882383 0.376759 0.839704 F\n0.794315 0.473184 0.534155 F\n0.623241 0.117617 0.839704 F\n0.382384 0.876759 0.660297 F\n0.645897 0.354103 -0.009767 F\n0.973183 0.294315 0.034155 F\n0.617616 0.123242 0.339704 F\n0.705685 0.026817 0.034155 F\n0.376758 0.882384 0.160297 F\n0.551508 0.448492 0.378311 F\n0.448492 0.551508 0.621689 F\n0.854103 0.145898 0.490234 F\n0.026816 0.705685 0.965845 F\n0.205685 0.526816 0.465845 F\n0.948492 0.051508 0.878311 F\n0.051508 0.948492 0.121689 F\n0.117616 0.623241 0.160297 F\n0.123241 0.617616 0.660297 F\n0.354103 0.645897 0.009767 F\n",
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{
"id": "jvasp-105690",
"created_at": "2022-09-04T14:36:06.986356Z",
"updated_at": "2022-09-04T14:36:06.986386Z",
"structure_string": "K1 Rb2 As1 Cl6\n1.0\n6.610920 -0.000000 3.816816\n2.203640 6.232835 3.816816\n-0.000000 -0.000000 7.633632\nK Rb As Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.768419 0.231581 0.231581 Cl\n0.231581 0.231581 0.768419 Cl\n0.231581 0.768419 0.768420 Cl\n0.231581 0.768419 0.231581 Cl\n0.768419 0.231581 0.768420 Cl\n0.768420 0.768419 0.231582 Cl\n",
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]
}