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{
"id": "jvasp-67600",
"created_at": "2022-09-04T14:35:51.038846Z",
"updated_at": "2022-09-04T14:35:51.038872Z",
"structure_string": "Na1 Be1 Ru2\n1.0\n-2.121121 2.121121 2.999889\n2.121121 -2.121121 2.999889\n2.121121 2.121121 -2.999889\nNa Be Ru\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Na\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Ru\n0.250000 0.750000 0.500000 Ru\n",
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{
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{
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"structure_string": "Nd4 W6 O24\n1.0\n6.914792 0.002318 -1.317741\n-2.979470 6.239960 -1.317741\n-0.010880 -0.017258 11.624333\nNd W O\n4 6 24\ndirect\n0.694603 0.946797 0.404891 Nd\n0.053203 0.305397 0.095109 Nd\n0.305396 0.053203 0.595109 Nd\n0.946797 0.694603 0.904891 Nd\n0.118110 0.881890 0.250000 W\n0.489753 0.201682 0.951931 W\n0.510247 0.798318 0.048069 W\n0.201682 0.489753 0.451931 W\n0.798317 0.510247 0.548069 W\n0.881890 0.118110 0.750000 W\n0.227464 0.628478 0.039163 O\n0.793545 0.651203 0.693748 O\n0.348797 0.206455 0.806251 O\n0.012141 0.598379 0.221079 O\n0.401621 0.987858 0.278921 O\n0.987858 0.401621 0.778921 O\n0.598379 0.012141 0.721079 O\n0.901768 0.327301 0.423867 O\n0.628478 0.227464 0.539163 O\n0.026753 0.945278 0.110240 O\n0.054722 0.973246 0.389760 O\n0.973246 0.054722 0.889760 O\n0.945277 0.026753 0.610240 O\n0.651203 0.793545 0.193748 O\n0.206455 0.348797 0.306252 O\n0.601038 0.672445 0.938241 O\n0.327555 0.398962 0.561759 O\n0.398962 0.327555 0.061759 O\n0.672445 0.601038 0.438241 O\n0.327301 0.901768 0.923867 O\n0.098231 0.672699 0.576132 O\n0.672699 0.098231 0.076133 O\n0.772535 0.371522 0.960837 O\n0.371522 0.772536 0.460837 O\n",
"nsites": 34,
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{
"id": "jvasp-69673",
"created_at": "2022-09-04T14:35:51.029153Z",
"updated_at": "2022-09-04T14:35:51.029185Z",
"structure_string": "Be2 V1 Ga1\n1.0\n-1.703512 1.703512 3.952809\n1.703512 -1.703512 3.952809\n1.703512 1.703512 -3.952809\nBe V Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.499999 Be\n0.750000 0.250000 0.499999 V\n0.500000 0.500000 0.000000 Ga\n",
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"volume": 45.88346586489044,
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{
"id": "jvasp-87869",
"created_at": "2022-09-04T14:35:51.023558Z",
"updated_at": "2022-09-04T14:35:51.023579Z",
"structure_string": "Ba8 Si16\n1.0\n6.772015 -0.000000 0.000000\n0.000000 8.983549 0.000000\n0.000000 0.000000 11.599846\nBa Si\n8 16\ndirect\n0.749999 0.985090 0.307330 Ba\n0.749999 0.485090 0.192670 Ba\n0.250000 0.514910 0.807330 Ba\n0.749999 0.160166 0.906037 Ba\n0.250000 0.839834 0.093963 Ba\n0.749999 0.660166 0.593963 Ba\n0.250000 0.339834 0.406037 Ba\n0.250000 0.014910 0.692670 Ba\n0.250000 0.918312 0.409529 Si\n0.749999 0.081688 0.590472 Si\n0.250000 0.418312 0.090472 Si\n0.749999 0.581688 0.909529 Si\n0.929236 0.306170 0.645675 Si\n0.250000 0.196876 0.964712 Si\n0.749999 0.803124 0.035288 Si\n0.929236 0.806170 0.854326 Si\n0.429237 0.193830 0.145675 Si\n0.570763 0.306170 0.645675 Si\n0.070763 0.693830 0.354326 Si\n0.070763 0.193830 0.145675 Si\n0.570763 0.806170 0.854326 Si\n0.429237 0.693830 0.354326 Si\n0.749999 0.303124 0.464712 Si\n0.250000 0.696876 0.535288 Si\n",
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{
"id": "jvasp-3177",
"created_at": "2022-09-04T14:35:51.020554Z",
"updated_at": "2022-09-04T14:35:51.020581Z",
"structure_string": "Mg1 Be2 N2\n1.0\n1.477014 -2.558264 0.000000\n1.477014 2.558264 0.000000\n0.000000 0.000000 5.088482\nMg Be N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666665 0.333332 0.371569 Be\n0.333332 0.666665 0.628430 Be\n0.666665 0.333332 0.722605 N\n0.333332 0.666665 0.277395 N\n",
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"formula_full": "Mg1 Be2 N2",
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{
"id": "jvasp-52352",
"created_at": "2022-09-04T14:35:51.018924Z",
"updated_at": "2022-09-04T14:35:51.018940Z",
"structure_string": "Bi6 O8 F2\n1.0\n0.000000 0.000000 4.053700\n0.000000 11.392280 0.000000\n-6.265016 0.000000 2.026850\nBi O F\n6 8 2\ndirect\n0.667165 0.750000 0.665671 Bi\n0.632829 0.410562 0.734343 Bi\n0.632829 0.089438 0.734343 Bi\n0.367171 0.910562 0.265658 Bi\n0.367171 0.589438 0.265658 Bi\n0.332835 0.250000 0.334330 Bi\n0.537222 0.250000 0.925555 O\n0.247234 0.750000 0.505530 O\n0.775309 0.595279 0.449383 O\n0.775309 0.904721 0.449383 O\n0.224691 0.095279 0.550617 O\n0.224691 0.404721 0.550617 O\n0.752765 0.250000 0.494471 O\n0.462777 0.750000 0.074446 O\n0.000000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
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{
"id": "jvasp-86939",
"created_at": "2022-09-04T14:35:51.014795Z",
"updated_at": "2022-09-04T14:35:51.014811Z",
"structure_string": "K2 Nb2 Cu4 Se8\n1.0\n5.458454 0.000000 -1.645002\n0.000000 7.706184 0.000000\n0.000645 -0.000000 9.880778\nK Nb Cu Se\n2 2 4 8\ndirect\n0.925124 0.750000 0.364627 K\n0.560497 0.250000 0.635373 K\n0.610552 0.250000 0.221816 Nb\n0.388736 0.750000 0.778184 Nb\n0.108461 0.250000 0.217019 Cu\n0.891442 0.750000 0.782982 Cu\n0.480884 0.500000 0.000000 Cu\n0.480884 0.000000 0.000000 Cu\n0.751826 0.250000 0.005756 Se\n0.141034 0.490645 0.781665 Se\n0.535758 0.750000 0.570741 Se\n0.746071 0.750000 0.994245 Se\n0.965016 0.250000 0.429259 Se\n0.141034 0.009355 0.781665 Se\n0.359369 0.990644 0.218335 Se\n0.359369 0.509355 0.218335 Se\n",
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{
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"structure_string": "Fe2 As1 Cl1\n1.0\n0.000000 3.167180 3.167180\n3.167180 0.000000 3.167180\n3.167180 3.167180 -0.000000\nFe As Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 Cl\n",
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{
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"updated_at": "2022-09-04T14:35:51.005813Z",
"structure_string": "Sm2 Mn1 Ga6\n1.0\n-4.402696 -4.402696 0.000000\n-4.402696 0.000000 -4.402696\n-0.000000 -4.402696 -4.402696\nSm Mn Ga\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750001 0.750001 0.750001 Sm\n0.500000 0.500000 0.500000 Mn\n0.780687 0.219314 0.219314 Ga\n0.780687 0.219314 0.780687 Ga\n0.780687 0.780687 0.219314 Ga\n0.219314 0.780687 0.780687 Ga\n0.219314 0.780687 0.219314 Ga\n0.219314 0.219314 0.780687 Ga\n",
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{
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"created_at": "2022-09-04T14:35:51.000764Z",
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"structure_string": "Mg6 Ni1 W1\n1.0\n6.136312 -0.166949 0.000000\n-3.212739 5.230727 0.000000\n0.000000 0.000000 4.702060\nMg Ni W\n6 1 1\ndirect\n0.177174 0.846957 0.250000 Mg\n0.653043 0.322826 0.250000 Mg\n0.673971 0.826029 0.250000 Mg\n0.321924 0.666534 0.750000 Mg\n0.833466 0.178076 0.750000 Mg\n0.829717 0.670283 0.750000 Mg\n0.199780 0.300220 0.250000 Ni\n0.310925 0.189075 0.750000 W\n",
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{
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"created_at": "2022-09-04T14:35:50.991346Z",
"updated_at": "2022-09-04T14:35:50.991368Z",
"structure_string": "Li4 Ti3 V5 O16\n1.0\n5.841251 -0.007233 0.020136\n-2.914424 5.063171 0.014540\n-0.033337 -0.101711 9.539438\nLi Ti V O\n4 3 5 16\ndirect\n0.330511 0.661025 0.105128 Li\n0.005198 0.010484 0.006589 Li\n0.001681 0.003307 0.502152 Li\n0.664933 0.329910 0.604913 Li\n0.164258 0.822954 0.782858 Ti\n0.658631 0.823027 0.782824 Ti\n0.830001 0.659980 0.279222 Ti\n0.346408 0.165526 0.290064 V\n0.819126 0.165513 0.290070 V\n0.661856 0.323746 0.012250 V\n0.169784 0.339594 0.790529 V\n0.329003 0.658017 0.508722 V\n0.335188 0.173639 0.899867 O\n0.671461 0.342902 0.402764 O\n0.959917 0.479610 0.159068 O\n0.519691 0.479614 0.159068 O\n0.166719 0.333425 0.398131 O\n0.837337 0.674737 0.900130 O\n0.481323 0.517968 0.659364 O\n0.480201 0.960458 0.661140 O\n0.665082 0.834708 0.400592 O\n0.001794 0.003582 0.191091 O\n-0.000782 -0.001531 0.686859 O\n0.338984 0.678002 0.900154 O\n0.516741 0.033482 0.158808 O\n0.169643 0.834706 0.400585 O\n0.036603 0.517961 0.659366 O\n0.838412 0.173660 0.899858 O\n",
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"formula_full": "Li4 Ti3 V5 O16",
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}
]
}