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{
"id": "jvasp-91752",
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"structure_string": "B2 C4 N2\n1.0\n0.037637 -0.040221 4.186733\n0.148857 3.547579 0.783279\n-3.550888 -0.011270 0.782351\nB C N\n2 4 2\ndirect\n0.037444 0.575505 0.575507 B\n0.712556 0.174495 0.174492 B\n0.490354 0.481405 0.967074 C\n0.259645 0.268595 0.782926 C\n0.490354 0.967072 0.481405 C\n0.259646 0.782928 0.268593 C\n0.065671 0.080294 0.080296 N\n0.684328 0.669706 0.669703 N\n",
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{
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"structure_string": "Na1 Be1 Ge1\n1.0\n4.569082 -0.000000 -0.000000\n-2.284541 3.956941 0.000000\n0.000000 0.000000 3.137847\nNa Be Ge\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Na\n0.000000 0.000000 0.000000 Be\n0.333332 0.666665 0.000000 Ge\n",
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{
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"structure_string": "Li1 Be2 Ge1\n1.0\n2.620429 0.000000 -0.000000\n-0.000000 2.620429 0.000000\n0.000000 -0.000000 7.706721\nLi Be Ge\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.743901 Be\n0.000000 0.000000 0.256099 Be\n0.500000 0.500000 0.000000 Ge\n",
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{
"id": "jvasp-38084",
"created_at": "2022-09-04T14:38:03.718685Z",
"updated_at": "2022-09-04T14:38:03.718704Z",
"structure_string": "Rb2 Na1 In1 Cl6\n1.0\n-0.000000 5.209365 5.209365\n5.209365 -0.000000 5.209365\n5.209365 5.209365 0.000000\nRb Na In Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750001 0.750001 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.242539 0.757461 0.757461 Cl\n0.242539 0.757461 0.242539 Cl\n0.757461 0.242539 0.757461 Cl\n0.757461 0.757461 0.242539 Cl\n0.242539 0.242539 0.757461 Cl\n0.757461 0.242539 0.242539 Cl\n",
"nsites": 10,
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"elements": [
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],
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"formula_full": "Rb2 Na1 In1 Cl6",
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{
"id": "jvasp-44777",
"created_at": "2022-09-04T14:38:12.250727Z",
"updated_at": "2022-09-04T14:38:12.250754Z",
"structure_string": "Li2 Mn2 P4 H2 O14\n1.0\n6.591472 -0.033692 -0.038344\n0.291756 6.464567 0.017577\n2.336918 0.706834 6.014399\nLi Mn P H O\n2 2 4 2 14\ndirect\n0.157279 0.103474 0.776435 Li\n0.842721 0.896526 0.223567 Li\n0.723568 0.347074 0.895263 Mn\n0.276432 0.652926 0.104738 Mn\n0.230185 0.157053 0.226359 P\n0.813865 0.394366 0.360703 P\n0.186135 0.605634 0.639298 P\n0.769815 0.842947 0.773643 P\n0.499392 0.159255 0.347085 H\n0.500608 0.840745 0.652916 H\n0.984986 0.752744 0.609899 O\n0.282125 0.734642 0.768060 O\n0.637195 0.673751 0.948100 O\n0.331285 0.593085 0.402476 O\n0.921280 0.597949 0.227474 O\n0.078720 0.402051 0.772527 O\n0.834332 0.018878 0.874679 O\n0.362805 0.326249 0.051901 O\n0.717875 0.265358 0.231942 O\n0.015014 0.247256 0.390102 O\n0.165668 0.981122 0.125322 O\n0.352292 0.079226 0.391763 O\n0.668715 0.406914 0.597525 O\n0.647708 0.920774 0.608239 O\n",
"nsites": 24,
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"formula_full": "Li2 Mn2 P4 H2 O14",
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{
"id": "jvasp-46748",
"created_at": "2022-09-04T14:38:05.197083Z",
"updated_at": "2022-09-04T14:38:05.197115Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n4.993035 -0.002558 -0.000209\n0.004260 5.530386 -0.001235\n0.070570 0.002301 6.082391\nLi Fe Si O\n2 2 2 8\ndirect\n0.010637 0.333685 0.749588 Li\n0.510856 0.666105 0.249626 Li\n0.009985 0.832431 0.998848 Fe\n0.509843 0.167335 0.498768 Fe\n0.005870 0.830767 0.501381 Si\n0.505804 0.169017 0.001301 Si\n0.139578 0.104229 0.521619 O\n0.121720 0.703446 0.273419 O\n0.075869 0.673132 0.724030 O\n0.177853 0.137544 0.981338 O\n0.639679 0.895557 0.021613 O\n0.575774 0.326618 0.223914 O\n0.621537 0.296337 0.773288 O\n0.677902 0.862223 0.481354 O\n",
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"elements": [
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"volume": 167.9557239618075,
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"formula_full": "Li2 Fe2 Si2 O8",
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{
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"created_at": "2022-09-04T14:37:02.272340Z",
"updated_at": "2022-09-04T14:37:02.272363Z",
"structure_string": "Ag1 P1 F6\n1.0\n5.787864 -0.000000 -0.000000\n2.893932 5.012438 -0.000000\n2.893932 1.670813 4.725770\nAg P F\n1 1 6\ndirect\n0.499999 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 P\n0.199931 0.199931 0.800069 F\n0.199930 0.800069 0.199931 F\n0.199930 0.800069 0.800069 F\n0.800068 0.199931 0.199931 F\n0.800068 0.199931 0.800069 F\n0.800068 0.800069 0.199931 F\n",
"nsites": 8,
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"volume": 137.10077587101958,
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"formula_full": "Ag1 P1 F6",
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{
"id": "jvasp-66233",
"created_at": "2022-09-04T14:36:17.783316Z",
"updated_at": "2022-09-04T14:36:17.783342Z",
"structure_string": "Ba1 Mg1 Br1\n1.0\n-0.000000 4.030932 4.030932\n4.030932 0.000000 4.030932\n4.030932 4.030932 -0.000000\nBa Mg Br\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "jvasp-29781",
"created_at": "2022-09-04T14:38:02.080136Z",
"updated_at": "2022-09-04T14:38:02.080165Z",
"structure_string": "Al2 H2 O4\n1.0\n1.446400 6.032243 0.000000\n-1.446400 6.032243 0.000000\n0.000000 0.000000 3.728927\nAl H O\n2 2 4\ndirect\n0.680503 0.680503 0.249858 Al\n0.319497 0.319497 0.749859 Al\n0.019234 0.019234 0.441038 H\n0.980765 0.980765 0.941038 H\n0.290816 0.290816 0.250543 O\n0.709183 0.709183 0.750543 O\n0.077672 0.077672 0.247277 O\n0.922327 0.922327 0.747277 O\n",
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{
"id": "jvasp-29782",
"created_at": "2022-09-04T14:38:02.356934Z",
"updated_at": "2022-09-04T14:38:02.356961Z",
"structure_string": "Al2 H2 O4\n1.0\n1.446339 6.032286 0.000000\n-1.446339 6.032286 0.000000\n0.000000 0.000000 3.729102\nAl H O\n2 2 4\ndirect\n0.680501 0.680501 0.248080 Al\n0.319500 0.319500 0.748080 Al\n0.019233 0.019233 0.439298 H\n0.980767 0.980767 0.939298 H\n0.290819 0.290819 0.248748 O\n0.709182 0.709182 0.748748 O\n0.077666 0.077666 0.245527 O\n0.922335 0.922335 0.745526 O\n",
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{
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"created_at": "2022-09-04T14:37:14.602341Z",
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"structure_string": "Al2 H2 O4\n1.0\n1.446677 6.032430 -0.000921\n-1.446013 6.032760 -0.000958\n-0.000040 0.000537 3.728896\nAl H O\n2 2 4\ndirect\n0.674221 0.684186 0.269228 Al\n0.313246 0.323141 0.769237 Al\n0.012955 0.022951 0.460423 H\n0.974503 0.984394 0.960420 H\n0.284564 0.294468 0.269894 O\n0.702907 0.712851 0.769890 O\n0.071365 0.081389 0.266644 O\n0.916097 0.925942 0.766654 O\n",
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{
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"created_at": "2022-09-04T14:36:12.927248Z",
"updated_at": "2022-09-04T14:36:12.927271Z",
"structure_string": "Li1 Al3 Si9 N14 O2\n1.0\n5.709014 -0.000850 -0.003979\n0.016098 7.880025 0.002539\n0.026794 3.904131 6.858375\nLi Al Si N O\n1 3 9 14 2\ndirect\n0.285365 0.333040 0.338636 Li\n0.542050 0.754798 0.166264 Al\n0.842942 0.424011 0.496611 Al\n0.340417 0.575750 0.909247 Al\n0.050688 0.250552 0.921974 Si\n0.331845 0.512185 0.570929 Si\n0.039848 0.915922 0.832491 Si\n0.342055 0.910514 0.514322 Si\n0.540092 0.093526 0.741285 Si\n0.840324 0.083186 0.428631 Si\n0.543086 0.171070 0.082174 Si\n0.851809 0.482505 0.080528 Si\n0.051051 0.832354 0.252880 Si\n0.799132 0.013356 0.676569 N\n0.291845 0.309285 0.019327 N\n0.053332 0.663227 0.954237 N\n0.073010 0.387276 0.672106 N\n0.414995 0.669299 0.653022 N\n0.297785 0.991462 0.685361 N\n0.280218 0.668711 0.320515 N\n0.795690 0.316745 0.000614 N\n0.563741 0.053185 0.342951 N\n0.540924 0.344659 0.587930 N\n0.544149 0.014452 0.987829 N\n0.918543 0.331579 0.324862 N\n0.041931 0.997289 0.003829 N\n0.065429 0.947957 0.393975 N\n0.580750 0.595211 0.059563 O\n0.805741 0.690238 0.314663 O\n",
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"formula_full": "Li1 Al3 Si9 N14 O2",
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}