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{
"count": 146323,
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"results": [
{
"id": "mp-776611",
"created_at": "2022-09-04T14:48:23.658086Z",
"structure_string": "Li4 Mn2 Nb1 Ni3 P6 O24\n1.0\n8.548657 0.000000 0.000000\n4.011861 7.652860 0.000000\n4.001941 2.479845 7.259313\nLi Mn Nb Ni P O\n4 2 1 3 6 24\ndirect\n0.256368 0.645513 0.850345 Li\n0.694814 0.356315 0.159734 Li\n0.359252 0.157027 0.694845 Li\n0.158112 0.690958 0.359883 Li\n0.985271 0.003035 0.999922 Mn\n0.513322 0.500648 0.496138 Mn\n0.146687 0.148611 0.152174 Nb\n0.857477 0.852975 0.851169 Ni\n0.643600 0.649037 0.646176 Ni\n0.352932 0.347226 0.350164 Ni\n0.946913 0.558513 0.255227 P\n0.559199 0.250932 0.947764 P\n0.252016 0.949322 0.558926 P\n0.748076 0.043459 0.460338 P\n0.451226 0.746149 0.042588 P\n0.053408 0.462132 0.750350 P\n0.884549 0.505926 0.705098 O\n0.691066 0.891020 0.484392 O\n0.942231 0.738996 0.089425 O\n0.450754 0.696440 0.895086 O\n0.990929 0.394114 0.191565 O\n0.758258 0.567669 0.407162 O\n0.746882 0.098845 0.919100 O\n0.542641 0.416325 0.768657 O\n0.823284 0.008606 0.603844 O\n0.402333 0.756876 0.568883 O\n0.896029 0.084571 0.254873 O\n0.609796 0.810944 0.989079 O\n0.395480 0.179938 0.999136 O\n0.101242 0.923189 0.750588 O\n0.588440 0.237734 0.442417 O\n0.183669 0.993140 0.399001 O\n0.444484 0.584158 0.233998 O\n0.249963 0.896751 0.091529 O\n0.243021 0.437535 0.587276 O\n0.046111 0.601313 0.816710 O\n0.529129 0.307112 0.105475 O\n0.083127 0.257825 0.900275 O\n0.312879 0.105118 0.525495 O\n0.105028 0.521004 0.318192 O\n",
"nsites": 40,
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"Li",
"Mn",
"Nb",
"Ni",
"P",
"O"
],
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"density": 3.414161635091693,
"density_atomic": 0.08422534690454932,
"volume": 474.9164173266166,
"volume_molar": 7.1500337859394705,
"formula_full": "Li4 Mn2 Nb1 Ni3 P6 O24",
"formula_reduced": "Li4Mn2NbNi3(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -302.12356951,
"energy_per_atom": -7.553089237749999,
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"energy_uncorrected": -274.67656951,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:16.286000Z",
"spacegroup": 1
},
{
"id": "mp-775350",
"created_at": "2022-09-04T14:48:23.663372Z",
"structure_string": "Li16 V16 Si16 O64\n1.0\n5.021832 8.931387 0.000000\n-5.021832 8.931387 0.000000\n0.000000 6.332948 16.329235\nLi V Si O\n16 16 16 64\ndirect\n0.373127 0.437489 0.184472 Li\n0.935244 0.366280 0.687313 Li\n0.182068 0.264338 0.436056 Li\n0.617998 0.765239 0.436708 Li\n0.262988 0.684389 0.936023 Li\n0.764850 0.117916 0.937246 Li\n0.881096 0.495957 0.187967 Li\n0.366280 0.935244 0.187313 Li\n0.994445 0.872950 0.687883 Li\n0.437489 0.373127 0.684472 Li\n0.684389 0.262988 0.436023 Li\n0.117916 0.764850 0.437246 Li\n0.264338 0.182068 0.936056 Li\n0.765239 0.617998 0.936708 Li\n0.872950 0.994445 0.187883 Li\n0.495957 0.881096 0.687967 Li\n0.501527 0.127700 0.312559 V\n0.625592 0.561859 0.813597 V\n0.130645 0.000961 0.813285 V\n0.235918 0.380995 0.062578 V\n0.738401 0.812102 0.064481 V\n0.879206 0.239378 0.563140 V\n0.312473 0.738181 0.563647 V\n0.561859 0.625592 0.313597 V\n0.000961 0.130645 0.313285 V\n0.629796 0.063381 0.812923 V\n0.127700 0.501527 0.812559 V\n0.239378 0.879206 0.063140 V\n0.738181 0.312473 0.063647 V\n0.380995 0.235918 0.562578 V\n0.812102 0.738401 0.564481 V\n0.063381 0.629796 0.312923 V\n0.061108 0.689234 0.122169 Si\n0.559097 0.126783 0.123967 Si\n0.187044 0.059122 0.622945 Si\n0.626534 0.563151 0.624407 Si\n0.874811 0.439348 0.373817 Si\n0.314414 0.936724 0.374786 Si\n0.436636 0.373354 0.873744 Si\n0.938458 0.814509 0.875404 Si\n0.059122 0.187044 0.122945 Si\n0.563151 0.626534 0.124407 Si\n0.689234 0.061108 0.622169 Si\n0.126783 0.559097 0.623967 Si\n0.373354 0.436636 0.373744 Si\n0.814509 0.938458 0.375404 Si\n0.439348 0.874811 0.873817 Si\n0.936724 0.314414 0.874786 Si\n0.635389 0.969241 0.388887 O\n0.676751 0.175210 0.045800 O\n0.140431 0.581938 0.203592 O\n0.629995 0.083494 0.206166 O\n0.177816 0.600338 0.044780 O\n0.383746 0.275478 0.134964 O\n0.012393 0.466672 0.383666 O\n0.968415 0.134741 0.888736 O\n0.677092 0.676971 0.544323 O\n0.585326 0.642935 0.703047 O\n0.078760 0.127909 0.707383 O\n0.889009 0.701425 0.135839 O\n0.098332 0.181055 0.546396 O\n0.314285 0.104207 0.357151 O\n0.772614 0.386241 0.636142 O\n0.550859 0.979569 0.110721 O\n0.459830 0.514571 0.883016 O\n0.721468 0.609739 0.358481 O\n0.199520 0.887605 0.634868 O\n0.394157 0.817661 0.454543 O\n0.106631 0.813982 0.857659 O\n0.928308 0.353457 0.295738 O\n0.421564 0.846977 0.296570 O\n0.832992 0.320962 0.454281 O\n0.047601 0.359619 0.106636 O\n0.479204 0.554381 0.611993 O\n0.609863 0.223215 0.859041 O\n0.819122 0.893800 0.955239 O\n0.134741 0.968415 0.388736 O\n0.676971 0.677092 0.044323 O\n0.642935 0.585326 0.203047 O\n0.127909 0.078760 0.207383 O\n0.852461 0.922885 0.795855 O\n0.350869 0.421461 0.796631 O\n0.862300 0.048560 0.605149 O\n0.320484 0.330156 0.954900 O\n0.181055 0.098332 0.046396 O\n0.386241 0.772614 0.136142 O\n0.969241 0.635389 0.888887 O\n0.514571 0.459830 0.383016 O\n0.175210 0.676751 0.545800 O\n0.581938 0.140431 0.703592 O\n0.083494 0.629995 0.706166 O\n0.887605 0.199520 0.134868 O\n0.813982 0.106631 0.357659 O\n0.600338 0.177816 0.544780 O\n0.554381 0.479204 0.111993 O\n0.275478 0.383746 0.634964 O\n0.466672 0.012393 0.883666 O\n0.223215 0.609863 0.359041 O\n0.701425 0.889009 0.635839 O\n0.893800 0.819122 0.455239 O\n0.104207 0.314285 0.857151 O\n0.922885 0.852461 0.295855 O\n0.421461 0.350869 0.296631 O\n0.048560 0.862300 0.105149 O\n0.330156 0.320484 0.454900 O\n0.979569 0.550859 0.610721 O\n0.609739 0.721468 0.858481 O\n0.817661 0.394157 0.954543 O\n0.353457 0.928308 0.795738 O\n0.846977 0.421564 0.796570 O\n0.320962 0.832992 0.954281 O\n0.359619 0.047601 0.606636 O\n",
"nsites": 112,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 2.720093339672095,
"density_atomic": 0.0764611983298389,
"volume": 1464.7952483932247,
"volume_molar": 7.876074259288539,
"formula_full": "Li16 V16 Si16 O64",
"formula_reduced": "LiVSiO4",
"formula_anonymous": "ABCD4",
"energy": -884.34189917,
"energy_per_atom": -7.895909814017857,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -813.17389917,
"band_gap": 2.6672,
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"total_magnetization": 6.2548058,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:59.532000Z",
"spacegroup": 9
},
{
"id": "mp-766880",
"created_at": "2022-09-04T14:48:24.045594Z",
"structure_string": "Li6 Co12 P12 O48\n1.0\n8.178707 0.000000 0.000000\n0.017084 8.802019 0.000000\n0.191078 0.215480 15.131886\nLi Co P O\n6 12 12 48\ndirect\n0.039205 0.763792 0.414925 Li\n0.665930 0.745912 0.749590 Li\n0.467914 0.704747 0.084342 Li\n0.332335 0.250773 0.251485 Li\n0.975167 0.230011 0.581857 Li\n0.010362 0.148317 0.945655 Li\n0.337431 0.943752 0.592840 Co\n0.163752 0.913221 0.227905 Co\n0.339991 0.901509 0.920663 Co\n0.836118 0.600131 0.575850 Co\n0.667456 0.578232 0.273015 Co\n0.853870 0.561913 0.910124 Co\n0.158252 0.441841 0.089120 Co\n0.338471 0.422064 0.732151 Co\n0.163796 0.405144 0.418502 Co\n0.653946 0.101102 0.071165 Co\n0.831920 0.079066 0.767010 Co\n0.647844 0.055279 0.409620 Co\n0.730742 0.946351 0.590630 P\n0.774530 0.923279 0.227868 P\n0.723861 0.887023 0.929009 P\n0.223442 0.610607 0.572860 P\n0.286819 0.584370 0.264903 P\n0.241434 0.564246 0.909619 P\n0.762847 0.447836 0.094782 P\n0.730593 0.418315 0.735003 P\n0.776186 0.383831 0.425696 P\n0.273254 0.109291 0.073335 P\n0.218802 0.088049 0.769422 P\n0.260459 0.051184 0.409286 P\n0.435650 0.981743 0.400952 O\n0.229589 0.956220 0.031958 O\n0.142838 0.944655 0.360398 O\n0.229591 0.956885 0.700970 O\n0.645333 0.933770 0.152139 O\n0.943400 0.945281 0.186978 O\n0.775905 0.940810 0.489907 O\n0.706845 0.912318 0.827960 O\n0.558164 0.841735 0.971890 O\n0.739030 0.784170 0.631522 O\n0.763202 0.766664 0.277667 O\n0.854581 0.763401 0.947609 O\n0.288860 0.727159 0.203617 O\n0.349878 0.742376 0.558431 O\n0.239626 0.724323 0.869275 O\n0.056551 0.671226 0.537367 O\n0.211866 0.571376 0.673632 O\n0.298953 0.564298 0.007269 O\n0.452257 0.569253 0.315061 O\n0.149964 0.589788 0.337018 O\n0.766981 0.561669 0.794383 O\n0.635600 0.546849 0.147603 O\n0.726912 0.533302 0.469722 O\n0.934206 0.502248 0.115964 O\n0.065641 0.488308 0.909023 O\n0.277847 0.467937 0.523205 O\n0.350567 0.455953 0.853405 O\n0.268342 0.441643 0.206393 O\n0.852202 0.417148 0.655928 O\n0.556986 0.450446 0.697517 O\n0.721666 0.466448 0.994402 O\n0.776457 0.411528 0.323009 O\n0.945876 0.326569 0.458042 O\n0.738539 0.277429 0.120743 O\n0.650134 0.254978 0.447648 O\n0.742114 0.276439 0.793490 O\n0.147358 0.230422 0.042748 O\n0.228280 0.239524 0.713783 O\n0.259678 0.214070 0.369334 O\n0.446665 0.163749 0.040545 O\n0.277647 0.093043 0.175561 O\n0.210621 0.054809 0.509376 O\n0.051873 0.080432 0.819983 O\n0.357399 0.072277 0.835726 O\n0.731838 0.048813 0.295408 O\n0.851953 0.054106 0.636240 O\n0.786885 0.038455 0.972132 O\n0.554918 0.011973 0.603009 O\n",
"nsites": 78,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 2.878765116566101,
"density_atomic": 0.07160355588881188,
"volume": 1089.3313751222174,
"volume_molar": 8.410393429833789,
"formula_full": "Li6 Co12 P12 O48",
"formula_reduced": "LiCo2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -573.00578163,
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"updated_at": "2021-11-28T01:39:32.106000Z",
"spacegroup": 1
},
{
"id": "mp-1211165",
"created_at": "2022-09-04T14:48:24.365430Z",
"structure_string": "Li26 Si20 Pd28\n1.0\n0.000000 0.000000 4.404078\n12.818273 0.000000 0.000000\n0.000000 18.732963 0.000000\nLi Si Pd\n26 20 28\ndirect\n0.000000 0.021493 0.273118 Li\n0.000000 0.978507 0.726882 Li\n0.500000 0.478507 0.773118 Li\n0.500000 0.521493 0.226882 Li\n0.000000 0.217521 0.224016 Li\n0.000000 0.782479 0.775984 Li\n0.500000 0.282479 0.724016 Li\n0.500000 0.717521 0.275984 Li\n0.000000 0.992993 0.136342 Li\n0.000000 0.007007 0.863658 Li\n0.500000 0.507007 0.636342 Li\n0.500000 0.492993 0.363658 Li\n0.000000 0.204796 0.646584 Li\n0.000000 0.795204 0.353416 Li\n0.500000 0.295204 0.146584 Li\n0.500000 0.704796 0.853416 Li\n0.000000 0.010964 0.585217 Li\n0.000000 0.989036 0.414783 Li\n0.500000 0.489036 0.085217 Li\n0.500000 0.510964 0.914783 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.786147 0.061667 Li\n0.000000 0.213853 0.938333 Li\n0.500000 0.713853 0.561667 Li\n0.500000 0.286147 0.438333 Li\n0.000000 0.195390 0.505033 Si\n0.000000 0.804610 0.494967 Si\n0.500000 0.304610 0.005033 Si\n0.500000 0.695390 0.994967 Si\n0.000000 0.384536 0.310501 Si\n0.000000 0.615464 0.689499 Si\n0.500000 0.115464 0.810501 Si\n0.500000 0.884536 0.189499 Si\n0.000000 0.382824 0.565784 Si\n0.000000 0.617176 0.434216 Si\n0.500000 0.117176 0.065784 Si\n0.500000 0.882824 0.934216 Si\n0.000000 0.373029 0.063638 Si\n0.000000 0.626971 0.936362 Si\n0.500000 0.126971 0.563638 Si\n0.500000 0.873029 0.436362 Si\n0.000000 0.632301 0.180866 Si\n0.000000 0.367699 0.819134 Si\n0.500000 0.867699 0.680866 Si\n0.500000 0.132301 0.319134 Si\n0.000000 0.209305 0.373004 Pd\n0.000000 0.790695 0.626996 Pd\n0.500000 0.290695 0.873004 Pd\n0.500000 0.709305 0.126996 Pd\n0.000000 0.426811 0.438321 Pd\n0.000000 0.573189 0.561679 Pd\n0.500000 0.073189 0.938321 Pd\n0.500000 0.926811 0.061679 Pd\n0.000000 0.578150 0.306684 Pd\n0.000000 0.421850 0.693316 Pd\n0.500000 0.921850 0.806684 Pd\n0.500000 0.078150 0.193316 Pd\n0.000000 0.436682 0.185080 Pd\n0.000000 0.563318 0.814920 Pd\n0.500000 0.063318 0.685080 Pd\n0.500000 0.936682 0.314920 Pd\n0.000000 0.186565 0.085955 Pd\n0.000000 0.813435 0.914045 Pd\n0.500000 0.313435 0.585955 Pd\n0.500000 0.686565 0.414045 Pd\n0.000000 0.571031 0.060151 Pd\n0.000000 0.428969 0.939849 Pd\n0.500000 0.928969 0.560151 Pd\n0.500000 0.071031 0.439849 Pd\n0.000000 0.187633 0.788482 Pd\n0.000000 0.812367 0.211518 Pd\n0.500000 0.312367 0.288482 Pd\n0.500000 0.687633 0.711518 Pd\n",
"nsites": 74,
"nelements": 3,
"elements": [
"Li",
"Si",
"Pd"
],
"chemical_system": "Li-Pd-Si",
"density": 5.844226029366781,
"density_atomic": 0.06997464848335987,
"volume": 1057.5258554903262,
"volume_molar": 8.60617507986779,
"formula_full": "Li26 Si20 Pd28",
"formula_reduced": "Li13(Si5Pd7)2",
"formula_anonymous": "A10B13C14",
"energy": -347.70259129,
"energy_per_atom": -4.698683666081081,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:30.823000Z",
"spacegroup": 58
},
{
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"energy": -269.11880945,
"energy_per_atom": -7.475522484722223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -263.34280945,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047479,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.233000Z",
"spacegroup": 52
}
]
}