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{
"id": "jvasp-104790",
"created_at": "2022-09-04T14:36:49.558933Z",
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"structure_string": "Na2 Mn2 O4\n1.0\n3.130125 -0.027276 -0.537017\n-0.267978 4.764115 1.879174\n0.030969 -0.007093 6.001927\nNa Mn O\n2 2 4\ndirect\n0.250017 0.750018 0.499999 Na\n0.750018 0.250017 0.500000 Na\n0.500012 0.500011 -0.000001 Mn\n0.000011 0.000011 0.000000 Mn\n0.138363 0.217764 0.208354 O\n0.638364 0.717764 0.208353 O\n0.861660 0.782259 0.791645 O\n0.361659 0.282259 0.791646 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:52.046122Z",
"structure_string": "V1 Ga1 Ni6\n1.0\n3.554688 0.000000 0.000000\n0.000000 3.554688 0.000000\n-0.000000 -0.000000 7.088836\nV Ga Ni\n1 1 6\ndirect\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.256689 Ni\n0.500000 0.000000 0.743311 Ni\n-0.000000 0.500000 0.256689 Ni\n-0.000000 0.500000 0.743311 Ni\n",
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{
"id": "jvasp-34558",
"created_at": "2022-09-04T14:37:12.947081Z",
"updated_at": "2022-09-04T14:37:12.947106Z",
"structure_string": "Si8 O16\n1.0\n4.193177 -0.000000 0.000000\n-0.000000 7.697544 0.000000\n0.000000 0.000000 8.325300\nSi O\n8 16\ndirect\n0.233398 0.880138 0.884768 Si\n0.766603 0.380139 0.615232 Si\n0.233398 0.119861 0.615232 Si\n0.233398 0.619861 0.384768 Si\n0.766603 0.619861 0.884768 Si\n0.233398 0.380139 0.115232 Si\n0.766603 0.880138 0.384768 Si\n0.766603 0.119861 0.115232 Si\n0.586902 0.000000 0.250000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.750000 0.785149 O\n0.000000 0.000000 0.000000 O\n0.500000 0.750000 0.971686 O\n0.500000 0.750000 0.471686 O\n0.500000 0.250000 0.028314 O\n0.000000 0.250000 0.214851 O\n0.413098 0.500000 0.250000 O\n0.500000 0.250000 0.528314 O\n0.000000 0.500000 0.000000 O\n0.413098 0.000000 0.750000 O\n0.000000 0.750000 0.285149 O\n0.000000 0.250000 0.714851 O\n0.586902 0.500000 0.750000 O\n0.000000 0.000000 0.500000 O\n",
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"density": 2.9703308314615913,
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"volume": 268.7170772562598,
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"formula_full": "Si8 O16",
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{
"id": "jvasp-92764",
"created_at": "2022-09-04T14:35:51.148566Z",
"updated_at": "2022-09-04T14:35:51.148591Z",
"structure_string": "K1 V1 O3\n1.0\n3.825438 0.000000 0.000000\n-0.000000 3.825438 0.000000\n-0.000000 0.000000 3.825438\nK V O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
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{
"id": "jvasp-117908",
"created_at": "2022-09-04T14:38:50.227188Z",
"updated_at": "2022-09-04T14:38:50.227209Z",
"structure_string": "Ru1 C1 N1\n1.0\n2.380582 1.374430 1.710945\n-2.380582 1.374430 1.710945\n-0.000000 -2.748859 1.710945\nRu C N\n1 1 1\ndirect\n0.976579 0.976579 0.976579 Ru\n0.602749 0.602749 0.602749 C\n0.365670 0.365670 0.365670 N\n",
"nsites": 3,
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"density": 6.282878000504907,
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{
"id": "jvasp-86443",
"created_at": "2022-09-04T14:35:54.258057Z",
"updated_at": "2022-09-04T14:35:54.258074Z",
"structure_string": "Cu3 P2 O8\n1.0\n4.861739 0.010026 0.271945\n1.859099 4.804860 1.632725\n0.009538 0.012101 6.240045\nCu P O\n3 2 8\ndirect\n0.727231 0.778555 0.681266 Cu\n0.272770 0.221445 0.318735 Cu\n0.000000 0.000000 0.000000 Cu\n0.640034 0.654068 0.220741 P\n0.359967 0.345933 0.779260 P\n0.623414 0.855680 0.361127 O\n0.376587 0.144321 0.638873 O\n0.772269 0.777021 0.993239 O\n0.227732 0.222979 0.006762 O\n0.668784 0.342106 0.832030 O\n0.841661 0.357686 0.343362 O\n0.158340 0.642315 0.656638 O\n0.331217 0.657895 0.167971 O\n",
"nsites": 13,
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"density_atomic": 0.08931715847691786,
"volume": 145.54874138052182,
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"formula_full": "Cu3 P2 O8",
"formula_reduced": "Cu3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.146436180769231,
"spacegroup": 2
},
{
"id": "jvasp-42633",
"created_at": "2022-09-04T14:36:10.233213Z",
"updated_at": "2022-09-04T14:36:10.233249Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 5.262601 0.187635\n5.955804 0.000000 0.000000\n0.000000 -5.010359 -9.465336\nLi Mn P O\n2 4 4 16\ndirect\n0.069119 0.370417 0.445374 Li\n0.069119 0.629583 0.945375 Li\n0.440238 0.879751 0.667230 Mn\n0.532443 0.356896 0.856060 Mn\n0.440237 0.120249 0.167230 Mn\n0.532443 0.643104 0.356060 Mn\n0.899510 0.603699 0.632283 P\n0.100015 0.110553 0.863550 P\n0.100014 0.889446 0.363550 P\n0.899510 0.396301 0.132283 P\n0.764189 0.879518 0.268825 O\n0.798144 0.818031 0.535664 O\n0.772782 0.420415 0.510230 O\n0.213554 0.919801 0.974391 O\n0.223539 0.331815 0.951148 O\n0.774614 0.388326 0.234818 O\n0.242393 0.589838 0.720011 O\n0.223539 0.668185 0.451148 O\n0.798144 0.181968 0.035664 O\n0.772782 0.579585 0.010230 O\n0.213554 0.080198 0.474391 O\n0.764189 0.120482 0.768825 O\n0.242393 0.410161 0.220010 O\n0.253023 0.894887 0.267794 O\n0.253024 0.105112 0.767794 O\n0.774614 0.611674 0.734818 O\n",
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"formula_full": "Li2 Mn4 P4 O16",
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{
"id": "jvasp-23227",
"created_at": "2022-09-04T14:37:48.205427Z",
"updated_at": "2022-09-04T14:37:48.205454Z",
"structure_string": "Nd4 Mn8 O20\n1.0\n5.531728 0.000000 0.000000\n0.000000 7.455549 0.000000\n0.000000 0.000000 8.686210\nNd Mn O\n4 8 20\ndirect\n0.000000 0.351220 0.673766 Nd\n0.000000 0.648781 0.326234 Nd\n0.000000 0.851220 0.826234 Nd\n0.000000 0.148780 0.173766 Nd\n0.272435 0.000000 0.500000 Mn\n0.727565 0.000000 0.500000 Mn\n0.272435 0.500000 0.000000 Mn\n0.727565 0.500000 0.000000 Mn\n0.500000 0.610430 0.642227 Mn\n0.500000 0.889571 0.142227 Mn\n0.500000 0.110430 0.857773 Mn\n0.500000 0.389571 0.357773 Mn\n0.500000 0.825102 0.561996 O\n0.000000 0.845125 0.549944 O\n0.000000 0.154875 0.450056 O\n0.281996 0.500000 0.500000 O\n0.718004 0.000000 0.000000 O\n0.718004 0.500000 0.500000 O\n0.281996 0.000000 0.000000 O\n0.500000 0.174898 0.438004 O\n0.500000 0.674898 0.061996 O\n0.737866 0.587461 0.789548 O\n0.262135 0.412539 0.210452 O\n0.262135 0.587461 0.789548 O\n0.737866 0.912539 0.289548 O\n0.737866 0.087461 0.710452 O\n0.000000 0.654875 0.049944 O\n0.737866 0.412539 0.210452 O\n0.262135 0.087461 0.710452 O\n0.262135 0.912539 0.289548 O\n0.500000 0.325102 0.938004 O\n0.000000 0.345125 0.950056 O\n",
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"formula_full": "Nd4 Mn8 O20",
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{
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"created_at": "2022-09-04T14:36:58.421015Z",
"updated_at": "2022-09-04T14:36:58.421052Z",
"structure_string": "Mg1 Re1 O4\n1.0\n4.663509 0.000724 0.000000\n-0.142898 4.661319 0.000000\n0.000000 0.000000 3.089773\nMg Re O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Re\n0.215678 0.215678 0.500000 O\n0.689808 0.310192 0.000000 O\n0.310192 0.689808 0.000000 O\n0.784322 0.784321 0.500000 O\n",
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{
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"structure_string": "Zn1 Co1 F6\n1.0\n4.354231 0.081312 2.891265\n1.592691 4.053303 2.891265\n0.116953 0.081312 5.225424\nZn Co F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Zn\n0.000000 0.000000 0.000000 Co\n0.382788 0.083150 0.770895 F\n0.083150 0.770894 0.382790 F\n0.229105 0.617210 0.916851 F\n0.916850 0.229104 0.617212 F\n0.617211 0.916849 0.229107 F\n0.770895 0.382788 0.083151 F\n",
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{
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"structure_string": "V1 Cu1 O2\n1.0\n1.472526 2.462302 0.755876\n1.493354 -2.440798 -0.780981\n-1.546917 2.563688 -5.337783\nV Cu O\n1 1 2\ndirect\n0.500001 0.000000 -0.000000 V\n-0.000000 -0.000001 0.500000 Cu\n0.105645 0.211289 0.817040 O\n0.894354 0.788708 0.182959 O\n",
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}
]
}