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{
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{
"id": "mp-1233274",
"created_at": "2022-09-04T14:39:16.618064Z",
"structure_string": "Rb2 Ba8 Ca1 Sb6 O2\n1.0\n8.628227 -0.362976 -3.897241\n-2.303270 8.100155 -3.847982\n0.005252 0.116575 10.481182\nRb Ba Ca Sb O\n2 8 1 6 2\ndirect\n0.004023 0.007531 0.000075 Rb\n0.412672 0.412425 0.813199 Rb\n0.507862 0.722325 0.693136 Ba\n0.197720 0.987446 0.701439 Ba\n0.827233 0.038844 0.325834 Ba\n0.992663 0.545517 0.741157 Ba\n0.512950 0.300494 0.326332 Ba\n0.759015 0.206102 0.739476 Ba\n0.025877 0.487532 0.292951 Ba\n0.272541 0.823989 0.292633 Ba\n0.589407 0.593189 0.171396 Ca\n0.825264 0.641277 0.022549 Sb\n0.618643 0.144945 0.012831 Sb\n0.208297 0.396029 0.024005 Sb\n0.406036 0.878861 0.012746 Sb\n0.219716 0.227055 0.428940 Sb\n0.776251 0.773196 0.537503 Sb\n0.771596 0.271484 0.532356 O\n0.257949 0.763188 0.506442 O\n",
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{
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"formula_full": "Li9 Co7 O16",
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"energy": -200.46272059,
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},
{
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"created_at": "2022-09-04T14:39:16.636652Z",
"structure_string": "Li4 V2 P8 H24 O36\n1.0\n11.543071 0.000000 0.000000\n0.000000 8.141215 0.000000\n0.000000 3.863727 8.090425\nLi V P H O\n4 2 8 24 36\ndirect\n0.750000 0.976088 0.575146 Li\n0.250000 0.750335 0.908778 Li\n0.750000 0.249665 0.091222 Li\n0.250000 0.023912 0.424854 Li\n0.750000 0.528406 0.739208 V\n0.250000 0.471594 0.260792 V\n0.486801 0.712136 0.643354 P\n0.013199 0.712136 0.643354 P\n0.500400 0.694962 0.161648 P\n0.999600 0.694962 0.161648 P\n0.000400 0.305038 0.838352 P\n0.499600 0.305038 0.838352 P\n0.986801 0.287864 0.356646 P\n0.513199 0.287864 0.356646 P\n0.817248 0.940344 0.865912 H\n0.682752 0.940344 0.865912 H\n0.490752 0.749058 0.872973 H\n0.009248 0.749058 0.872973 H\n0.818318 0.605677 0.995302 H\n0.681682 0.605677 0.995302 H\n0.817896 0.915453 0.281821 H\n0.682104 0.915453 0.281821 H\n0.482788 0.824248 0.335614 H\n0.017212 0.824248 0.335614 H\n0.183421 0.584120 0.495394 H\n0.316579 0.584120 0.495394 H\n0.816579 0.415880 0.504606 H\n0.683421 0.415880 0.504606 H\n0.982788 0.175752 0.664386 H\n0.517212 0.175752 0.664386 H\n0.317896 0.084547 0.718179 H\n0.182104 0.084547 0.718179 H\n0.318318 0.394323 0.004698 H\n0.181682 0.394323 0.004698 H\n0.990752 0.250942 0.127027 H\n0.509248 0.250942 0.127027 H\n0.317248 0.059656 0.134088 H\n0.182752 0.059656 0.134088 H\n0.431386 0.751610 0.785420 O\n0.068614 0.751610 0.785420 O\n0.750000 0.988265 0.281904 O\n0.250000 0.019497 0.207561 O\n0.416055 0.809535 0.486522 O\n0.083945 0.809535 0.486522 O\n0.883105 0.737988 0.634077 O\n0.616895 0.737988 0.634077 O\n0.750000 0.538855 0.980323 O\n0.533002 0.832078 0.235913 O\n0.966998 0.832078 0.235913 O\n0.458162 0.498033 0.693361 O\n0.041838 0.498033 0.693361 O\n0.925554 0.738796 0.008423 O\n0.574446 0.738796 0.008423 O\n0.372000 0.685767 0.133281 O\n0.128000 0.685767 0.133281 O\n0.250000 0.515094 0.484736 O\n0.750000 0.484906 0.515264 O\n0.628000 0.314233 0.866719 O\n0.872000 0.314233 0.866719 O\n0.425554 0.261204 0.991577 O\n0.074446 0.261204 0.991577 O\n0.958162 0.501967 0.306639 O\n0.541838 0.501967 0.306639 O\n0.466998 0.167922 0.764087 O\n0.033002 0.167922 0.764087 O\n0.250000 0.461145 0.019677 O\n0.116895 0.262012 0.365923 O\n0.383105 0.262012 0.365923 O\n0.916055 0.190465 0.513478 O\n0.583945 0.190465 0.513478 O\n0.750000 0.980503 0.792439 O\n0.250000 0.011735 0.718096 O\n0.931386 0.248390 0.214580 O\n0.568614 0.248390 0.214580 O\n",
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"volume": 760.2946374342116,
"volume_molar": 6.18729908878647,
"formula_full": "Li4 V2 P8 H24 O36",
"formula_reduced": "Li2VP4(H2O3)6",
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"energy": -475.01149588,
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{
"id": "mp-865494",
"created_at": "2022-09-04T14:39:16.645358Z",
"structure_string": "V2 Cr1 Ru1\n1.0\n0.000000 2.962938 2.962938\n2.962938 0.000000 2.962938\n2.962938 2.962938 0.000000\nV Cr Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 V\n0.250000 0.250000 0.250000 V\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Ru\n",
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"formula_full": "V2 Cr1 Ru1",
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{
"id": "mp-1194826",
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"structure_string": "K8 Cd4 Sn4 S16\n1.0\n5.609404 5.637445 0.000000\n-5.609404 5.637445 0.000000\n0.000000 2.253253 15.048427\nK Cd Sn S\n8 4 4 16\ndirect\n0.854641 0.727302 0.119819 K\n0.272698 0.145359 0.380181 K\n0.145359 0.272698 0.880181 K\n0.727302 0.854641 0.619819 K\n0.344473 0.721502 0.117313 K\n0.278498 0.655527 0.382687 K\n0.655527 0.278498 0.882687 K\n0.721502 0.344473 0.617313 K\n0.912803 0.808879 0.839513 Cd\n0.191121 0.087197 0.660487 Cd\n0.087197 0.191121 0.160487 Cd\n0.808879 0.912803 0.339513 Cd\n0.407407 0.795647 0.850140 Sn\n0.204353 0.592593 0.649860 Sn\n0.592593 0.204353 0.149860 Sn\n0.795647 0.407407 0.350140 Sn\n0.146271 0.758825 0.944559 S\n0.241175 0.853729 0.555441 S\n0.853729 0.241175 0.055441 S\n0.758825 0.146271 0.444559 S\n0.633444 0.739729 0.941936 S\n0.260271 0.366556 0.558064 S\n0.366556 0.260271 0.058064 S\n0.739729 0.633444 0.441936 S\n0.911681 0.088319 0.750000 S\n0.088319 0.911681 0.250000 S\n0.936795 0.561572 0.739159 S\n0.438428 0.063205 0.760841 S\n0.063205 0.438428 0.260841 S\n0.561572 0.936795 0.239159 S\n0.435235 0.564765 0.750000 S\n0.564765 0.435235 0.250000 S\n",
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{
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{
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{
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{
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