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{
"id": "jvasp-9290",
"created_at": "2022-09-04T14:37:28.779308Z",
"updated_at": "2022-09-04T14:37:28.779318Z",
"structure_string": "Ca2 Mn4 S8\n1.0\n6.045832 -0.000000 -3.174139\n-1.666463 5.811626 -3.174139\n0.395010 0.524197 8.097248\nCa Mn S\n2 4 8\ndirect\n0.375000 0.625001 0.750001 Ca\n0.625000 0.375000 0.250000 Ca\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.775113 0.793136 0.550226 S\n0.742910 0.224888 0.949774 S\n0.206865 0.224888 0.949775 S\n0.224887 0.206865 0.449774 S\n0.224887 0.742911 0.449775 S\n0.257090 0.775113 0.050226 S\n0.775113 0.257090 0.550226 S\n0.793135 0.775113 0.050226 S\n",
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{
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"structure_string": "Li4 Mn2 F8\n1.0\n3.192518 -0.002047 -0.002628\n0.003446 5.179618 0.031453\n0.009092 1.195983 9.596041\nLi Mn F\n4 2 8\ndirect\n0.000787 0.265815 0.077999 Li\n0.000924 0.230697 0.423040 Li\n0.999849 0.730720 0.923053 Li\n0.999934 0.765827 0.578009 Li\n0.500045 0.248271 0.750524 Mn\n0.500730 0.748260 0.250528 Mn\n0.500795 0.106229 0.131204 F\n0.000074 0.119292 0.621503 F\n0.500934 0.390291 0.369851 F\n0.000703 0.619257 0.121511 F\n0.000035 0.377261 0.879552 F\n0.499924 0.606265 0.631223 F\n0.000725 0.877257 0.379546 F\n0.499841 0.890289 0.869848 F\n",
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"formula_full": "Li4 Mn2 F8",
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{
"id": "jvasp-48617",
"created_at": "2022-09-04T14:36:48.784486Z",
"updated_at": "2022-09-04T14:36:48.784503Z",
"structure_string": "Li6 Mn2 F10\n1.0\n5.049349 0.116840 0.027942\n-2.159727 5.152979 -0.030903\n-2.382490 -2.032924 7.109661\nLi Mn F\n6 2 10\ndirect\n0.682733 0.455785 0.908867 Li\n0.330645 0.973414 0.697873 Li\n0.939060 0.564113 0.297480 Li\n0.060940 0.435888 0.702520 Li\n0.669355 0.026588 0.302128 Li\n0.317267 0.544216 0.091133 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500001 0.500000 Mn\n0.252032 0.249822 0.860912 F\n0.365893 0.737997 0.331365 F\n0.119803 0.701719 0.926539 F\n0.446274 0.252274 0.239425 F\n0.954899 0.716199 0.537676 F\n0.634108 0.262004 0.668635 F\n0.747968 0.750179 0.139088 F\n0.045101 0.283802 0.462324 F\n0.880197 0.298282 0.073461 F\n0.553726 0.747727 0.760575 F\n",
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"formula_full": "Li6 Mn2 F10",
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{
"id": "jvasp-64916",
"created_at": "2022-09-04T14:35:58.332890Z",
"updated_at": "2022-09-04T14:35:58.332919Z",
"structure_string": "Li4 Be1 Tc1\n1.0\n0.000000 3.328821 3.328821\n3.328821 0.000000 3.328821\n3.328821 3.328821 0.000000\nLi Be Tc\n4 1 1\ndirect\n0.375201 0.375201 0.375201 Li\n0.375201 0.874397 0.375201 Li\n0.375201 0.375201 0.874397 Li\n0.874397 0.375201 0.375201 Li\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 6,
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"elements": [
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"volume": 73.77365889114147,
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"formula_full": "Li4 Be1 Tc1",
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{
"id": "jvasp-103229",
"created_at": "2022-09-04T14:38:40.002952Z",
"updated_at": "2022-09-04T14:38:40.002981Z",
"structure_string": "Ba1 Sr3\n1.0\n5.506487 -0.058146 -4.801855\n-1.176363 5.379679 -4.801855\n0.047313 0.058146 7.305954\nBa Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.499999 Sr\n0.250000 0.750000 0.499999 Sr\n0.500000 0.500000 -0.000000 Sr\n",
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{
"id": "jvasp-114015",
"created_at": "2022-09-04T14:38:51.952730Z",
"updated_at": "2022-09-04T14:38:51.952755Z",
"structure_string": "B1 O1\n1.0\n2.586941 -0.000000 -0.000000\n-1.293470 2.240356 0.000000\n0.000000 -0.000000 2.531807\nB O\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.333334 0.666668 0.000000 O\n",
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"elements": [
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"volume": 14.673514814725209,
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{
"id": "jvasp-31940",
"created_at": "2022-09-04T14:37:31.208871Z",
"updated_at": "2022-09-04T14:37:31.208904Z",
"structure_string": "Re1 H8 N2 Cl6\n1.0\n4.919163 4.919163 -0.000000\n-0.000000 4.919163 4.919163\n4.919163 -0.000000 4.919163\nRe H N Cl\n1 8 2 6\ndirect\n0.000000 0.000000 0.000000 Re\n0.310846 0.067461 0.310846 H\n0.310846 0.310846 0.067461 H\n0.067461 0.310846 0.310846 H\n0.310846 0.310846 0.310846 H\n0.689153 0.932539 0.689153 H\n0.689153 0.689153 0.932539 H\n0.932539 0.689153 0.689153 H\n0.689153 0.689153 0.689153 H\n0.749999 0.749999 0.749999 N\n0.250000 0.250000 0.250000 N\n0.758221 0.758221 0.241778 Cl\n0.241778 0.758221 0.758221 Cl\n0.241778 0.241778 0.758221 Cl\n0.241778 0.758221 0.241778 Cl\n0.758221 0.241778 0.241778 Cl\n0.758221 0.241778 0.758221 Cl\n",
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"elements": [
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"formula_full": "Re1 H8 N2 Cl6",
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{
"id": "jvasp-59285",
"created_at": "2022-09-04T14:38:02.279648Z",
"updated_at": "2022-09-04T14:38:02.279669Z",
"structure_string": "Mg8 Si8 O24\n1.0\n5.362356 -0.000000 0.000000\n-0.000000 8.773154 0.000000\n0.000000 0.000000 9.342601\nMg Si O\n8 8 24\ndirect\n0.250000 0.904301 0.000000 Mg\n0.750001 0.595699 0.500000 Mg\n0.750001 0.095699 0.000000 Mg\n0.250000 0.404301 0.500000 Mg\n0.750001 0.736915 0.000000 Mg\n0.250000 0.763084 0.500000 Mg\n0.250000 0.263085 0.000000 Mg\n0.750001 0.236915 0.500000 Mg\n0.933683 0.408399 0.207776 Si\n0.433682 0.091601 0.292224 Si\n0.066318 0.091601 0.707776 Si\n0.566318 0.408399 0.792224 Si\n0.566318 0.908398 0.707776 Si\n0.433682 0.591601 0.207776 Si\n0.933683 0.908398 0.292224 Si\n0.066318 0.591601 0.792224 Si\n0.069851 0.750730 0.877399 O\n0.578605 0.406002 0.617804 O\n0.078604 0.093998 0.882196 O\n0.078604 0.593998 0.617804 O\n0.578605 0.906001 0.882196 O\n0.421396 0.593998 0.382196 O\n0.921397 0.906001 0.117804 O\n0.930149 0.749269 0.377399 O\n0.430149 0.750730 0.122601 O\n0.569852 0.749269 0.622601 O\n0.069851 0.250730 0.622601 O\n0.288411 0.973779 0.650088 O\n0.430149 0.250730 0.377399 O\n0.930149 0.249270 0.122601 O\n0.711589 0.026220 0.349911 O\n0.211589 0.473779 0.150088 O\n0.788412 0.026220 0.650088 O\n0.288411 0.473779 0.849911 O\n0.421396 0.093998 0.117804 O\n0.788412 0.526220 0.849911 O\n0.211589 0.973779 0.349911 O\n0.711589 0.526220 0.150088 O\n0.569852 0.249270 0.877399 O\n0.921397 0.406002 0.382196 O\n",
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"formula_full": "Mg8 Si8 O24",
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{
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"created_at": "2022-09-04T14:38:53.392819Z",
"updated_at": "2022-09-04T14:38:53.392847Z",
"structure_string": "Rb1 Mn1 F1\n1.0\n6.567201 0.334188 0.000000\n-0.205575 4.070265 0.000000\n0.000000 0.000000 3.255217\nRb Mn F\n1 1 1\ndirect\n-0.188993 0.429456 0.000000 Rb\n0.352647 -0.070564 0.000000 Mn\n0.054318 -0.070700 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:52.608551Z",
"updated_at": "2022-09-04T14:38:52.608571Z",
"structure_string": "I1 F1\n1.0\n4.307260 0.000000 0.000000\n0.000000 4.307260 0.000000\n0.000000 0.000000 4.303869\nI F\n1 1\ndirect\n0.000000 0.000000 0.749954 I\n0.000000 0.000000 0.250046 F\n",
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{
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"updated_at": "2022-09-04T14:37:07.255354Z",
"structure_string": "Sc2 H2 O4\n1.0\n1.630331 6.463587 0.000000\n-1.630331 6.463587 0.000000\n0.000000 0.000000 4.048765\nSc H O\n2 2 4\ndirect\n0.675580 0.675580 0.249101 Sc\n0.324420 0.324420 0.749101 Sc\n0.015210 0.015210 0.435361 H\n0.984791 0.984791 0.935360 H\n0.285439 0.285439 0.250078 O\n0.714562 0.714562 0.750077 O\n0.068882 0.068882 0.254858 O\n0.931118 0.931118 0.754858 O\n",
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{
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"updated_at": "2022-09-04T14:38:34.395580Z",
"structure_string": "Li4 Sn2 P4 O14\n1.0\n-1.481617 0.000000 9.071479\n6.443886 -2.579031 4.445990\n0.000000 5.158062 0.000000\nLi Sn P O\n4 2 4 14\ndirect\n0.559696 0.104538 0.945305 Li\n0.059696 0.104538 0.659232 Li\n0.940304 0.895463 0.340768 Li\n0.440304 0.895463 0.054695 Li\n0.500000 0.500000 0.000000 Sn\n-0.000000 0.500000 0.000000 Sn\n0.818164 0.280070 0.275224 P\n0.318164 0.280070 0.504847 P\n0.681837 0.719930 0.495152 P\n0.181836 0.719930 0.724776 P\n0.056074 0.740571 0.944398 O\n0.326617 0.742760 0.852911 O\n0.556074 0.740571 0.296175 O\n0.826617 0.742760 0.389849 O\n0.250000 0.500000 0.504470 O\n0.750000 0.500000 0.495530 O\n0.383681 0.159162 0.206807 O\n0.443926 0.259429 0.703825 O\n0.673383 0.257241 0.147089 O\n0.943926 0.259429 0.055602 O\n0.616319 0.840838 0.793193 O\n0.883681 0.159162 0.452354 O\n0.173383 0.257241 0.610151 O\n0.116319 0.840839 0.547646 O\n",
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]
}