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{
"id": "mp-769928",
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"structure_string": "Li4 Nb1 V3 O8\n1.0\n10.578605 0.034197 0.012599\n8.862819 5.806242 0.009558\n14.148970 4.249377 2.572698\nLi Nb V O\n4 1 3 8\ndirect\n0.999919 0.000034 0.500015 Li\n0.000039 0.499985 0.499940 Li\n0.500008 0.999968 0.500075 Li\n0.500045 0.499963 0.499988 Li\n0.999766 0.000102 0.000099 Nb\n0.000154 0.500277 0.999698 V\n0.499812 0.000047 0.000129 V\n0.500195 0.499653 0.000094 V\n0.020140 0.021217 0.230672 O\n0.984458 0.497423 0.265785 O\n0.496537 0.985156 0.265676 O\n0.979774 0.978807 0.769422 O\n0.499517 0.500687 0.252833 O\n0.015677 0.502467 0.734356 O\n0.503547 0.014616 0.734189 O\n0.500410 0.499599 0.747028 O\n",
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{
"id": "mp-27931",
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"structure_string": "Rb8 Sn4 O8\n1.0\n5.887143 0.000000 0.000000\n0.000000 7.641961 0.000000\n0.000000 0.000000 11.437671\nRb Sn O\n8 4 8\ndirect\n0.001079 0.646988 0.741555 Rb\n0.498921 0.353012 0.241555 Rb\n0.002883 0.608603 0.417686 Rb\n0.497117 0.391397 0.917686 Rb\n0.997117 0.108603 0.082314 Rb\n0.502883 0.891397 0.582314 Rb\n0.501079 0.853012 0.258445 Rb\n0.998921 0.146988 0.758445 Rb\n0.495617 0.889375 0.943394 Sn\n0.504383 0.389375 0.556606 Sn\n0.004383 0.110625 0.443394 Sn\n0.995617 0.610625 0.056606 Sn\n0.337678 0.694699 0.047649 O\n0.496393 0.583054 0.434862 O\n0.996393 0.916946 0.565138 O\n0.162322 0.305301 0.547649 O\n0.503607 0.083054 0.065138 O\n0.662322 0.194699 0.452351 O\n0.837678 0.805301 0.952351 O\n0.003607 0.416946 0.934862 O\n",
"nsites": 20,
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"formula_full": "Rb8 Sn4 O8",
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"spacegroup": 19
},
{
"id": "mp-865969",
"created_at": "2022-09-04T14:48:30.214787Z",
"structure_string": "Lu1 Re1 Tc2\n1.0\n0.000000 3.197655 3.197655\n3.197655 0.000000 3.197655\n3.197655 3.197655 0.000000\nLu Re Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Re\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n",
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"spacegroup": 225
},
{
"id": "mp-1540553",
"created_at": "2022-09-04T14:48:30.804938Z",
"structure_string": "Rb2 Ti1 Te3 O12\n1.0\n5.112932 -0.031384 -5.112945\n-5.144317 5.144317 0.000000\n5.112958 5.112958 0.031394\nRb Ti Te O\n2 1 3 12\ndirect\n0.261753 0.128192 0.630879 Rb\n0.738247 0.866439 0.369121 Rb\n0.000000 0.497336 0.000000 Ti\n0.499998 0.497332 0.999997 Te\n0.500002 0.997334 0.000003 Te\n0.000000 0.497334 0.500000 Te\n0.651841 0.823255 0.929367 O\n0.868811 0.431748 0.319320 O\n0.253733 0.431753 0.934391 O\n0.255271 0.823256 0.325919 O\n0.253731 0.816648 0.934409 O\n0.255276 0.426690 0.325916 O\n0.348159 0.171413 0.070633 O\n0.131189 0.562937 0.680680 O\n0.746269 0.562916 0.065591 O\n0.744724 0.171414 0.674084 O\n0.746267 0.178020 0.065609 O\n0.744729 0.567985 0.674081 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "O-Rb-Te-Ti",
"density": 4.884544572165867,
"density_atomic": 0.06671881786365685,
"volume": 269.7889527476922,
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"formula_full": "Rb2 Ti1 Te3 O12",
"formula_reduced": "Rb2Ti(TeO4)3",
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"energy": -114.65113084,
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},
{
"id": "mp-647350",
"created_at": "2022-09-04T14:48:31.663989Z",
"structure_string": "Rb10 Hf2 Fe2 Mo12 O48\n1.0\n5.116739 -8.862452 0.000000\n5.116739 8.862452 0.000000\n0.000000 0.000000 15.293673\nRb Hf Fe Mo O\n10 2 2 12 48\ndirect\n0.070585 0.315280 0.257483 Rb\n0.000000 0.000000 0.510067 Rb\n0.666667 0.333333 0.572763 Rb\n0.000000 0.000000 0.010067 Rb\n0.755304 0.070585 0.757483 Rb\n0.315280 0.244696 0.757483 Rb\n0.333333 0.666667 0.072763 Rb\n0.684720 0.755304 0.257483 Rb\n0.929415 0.684720 0.757483 Rb\n0.244696 0.929415 0.257483 Rb\n0.666667 0.333333 0.973196 Hf\n0.333333 0.666667 0.473196 Hf\n0.666667 0.333333 0.309873 Fe\n0.333333 0.666667 0.809873 Fe\n0.630501 0.657210 0.920770 Mo\n0.410359 0.313413 0.155887 Mo\n0.342790 0.973291 0.920770 Mo\n0.096946 0.410359 0.655887 Mo\n0.589641 0.686587 0.655887 Mo\n0.026709 0.369499 0.920770 Mo\n0.686587 0.096946 0.155887 Mo\n0.369499 0.342790 0.420770 Mo\n0.657210 0.026709 0.420770 Mo\n0.903054 0.589641 0.155887 Mo\n0.973291 0.630501 0.420770 Mo\n0.313413 0.903054 0.655887 Mo\n0.562304 0.406446 0.385089 O\n0.509025 0.763307 0.733677 O\n0.952901 0.779245 0.140843 O\n0.437696 0.593554 0.885089 O\n0.236693 0.745718 0.733677 O\n0.254282 0.490975 0.733677 O\n0.826192 0.314451 0.900154 O\n0.179995 0.944454 0.864431 O\n0.355298 0.844127 0.550896 O\n0.294487 0.940461 0.032199 O\n0.490975 0.236693 0.233677 O\n0.220755 0.173656 0.140843 O\n0.820005 0.055546 0.364431 O\n0.408828 0.475334 0.195337 O\n0.155858 0.562304 0.885089 O\n0.406446 0.844142 0.885089 O\n0.055546 0.235541 0.864431 O\n0.524666 0.933494 0.195337 O\n0.764459 0.820005 0.864431 O\n0.826344 0.047099 0.140843 O\n0.488259 0.173808 0.900154 O\n0.047099 0.220755 0.640843 O\n0.644702 0.155873 0.050896 O\n0.066506 0.591172 0.195337 O\n0.488830 0.644702 0.550896 O\n0.235541 0.179995 0.364431 O\n0.591172 0.524666 0.695337 O\n0.511170 0.355298 0.050896 O\n0.593554 0.155858 0.385089 O\n0.685549 0.511741 0.900154 O\n0.059539 0.354026 0.032199 O\n0.779245 0.826344 0.640843 O\n0.475334 0.066506 0.695337 O\n0.354026 0.294487 0.532199 O\n0.314451 0.488259 0.400154 O\n0.940461 0.645974 0.532199 O\n0.745718 0.509025 0.233677 O\n0.763307 0.254282 0.233677 O\n0.645974 0.705513 0.032199 O\n0.844127 0.488830 0.050896 O\n0.511741 0.826192 0.400154 O\n0.155873 0.511170 0.550896 O\n0.705513 0.059539 0.532199 O\n0.933494 0.408828 0.695337 O\n0.844142 0.437696 0.385089 O\n0.173808 0.685549 0.400154 O\n0.173656 0.952901 0.640843 O\n0.944454 0.764459 0.364431 O\n",
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],
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"formula_full": "Rb10 Hf2 Fe2 Mo12 O48",
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"energy": -578.2323463500001,
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"spacegroup": 173
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{
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"created_at": "2022-09-04T14:48:31.009738Z",
"structure_string": "Np2 Cl6\n1.0\n3.721233 -6.445365 0.000000\n3.721233 6.445365 0.000000\n0.000000 0.000000 4.308629\nNp Cl\n2 6\ndirect\n0.666667 0.333333 0.750000 Np\n0.333333 0.666667 0.250000 Np\n0.608727 0.694439 0.750000 Cl\n0.914288 0.608727 0.250000 Cl\n0.391273 0.305561 0.250000 Cl\n0.085712 0.391273 0.750000 Cl\n0.305561 0.914288 0.750000 Cl\n0.694439 0.085712 0.250000 Cl\n",
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],
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"formula_full": "Np2 Cl6",
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{
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"structure_string": "Mg14 Mn1 Zn1\n1.0\n6.259045 0.000000 -0.000000\n-3.129522 5.420491 0.000000\n0.000000 0.000000 10.141684\nMg Mn Zn\n14 1 1\ndirect\n0.167538 0.833769 0.125000 Mg\n0.165134 0.832566 0.625000 Mg\n0.666231 0.332462 0.125000 Mg\n0.667434 0.334866 0.625000 Mg\n0.666231 0.833769 0.125000 Mg\n0.667434 0.832566 0.625000 Mg\n0.329905 0.170095 0.374695 Mg\n0.329905 0.170095 0.875305 Mg\n0.329905 0.659810 0.374695 Mg\n0.329905 0.659810 0.875305 Mg\n0.840190 0.170095 0.374695 Mg\n0.840190 0.170095 0.875305 Mg\n0.833333 0.666667 0.375104 Mg\n0.833333 0.666667 0.874896 Mg\n0.166667 0.333333 0.125000 Mn\n0.166667 0.333333 0.625000 Zn\n",
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{
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"structure_string": "La2 Ni2 Sb2\n1.0\n2.217129 -3.840179 0.000000\n2.217129 3.840179 0.000000\n0.000000 0.000000 8.393758\nLa Ni Sb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.250000 Ni\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
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{
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{
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"structure_string": "Mg14 Cd1 Mo1\n1.0\n6.304282 0.000000 0.000000\n-3.152141 5.459668 0.000000\n-0.000000 -0.000000 9.962351\nMg Cd Mo\n14 1 1\ndirect\n0.167634 0.833816 0.125000 Mg\n0.166941 0.833470 0.625000 Mg\n0.666184 0.332366 0.125000 Mg\n0.666530 0.333059 0.625000 Mg\n0.666184 0.833816 0.125000 Mg\n0.666530 0.833470 0.625000 Mg\n0.326882 0.173118 0.367863 Mg\n0.326882 0.173118 0.882137 Mg\n0.326882 0.653766 0.367863 Mg\n0.326882 0.653766 0.882137 Mg\n0.846234 0.173118 0.367863 Mg\n0.846234 0.173118 0.882137 Mg\n0.833333 0.666667 0.374086 Mg\n0.833333 0.666667 0.875914 Mg\n0.166667 0.333333 0.625000 Cd\n0.166667 0.333333 0.125000 Mo\n",
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{
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},
{
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}
]
}