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{
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"results": [
{
"id": "mp-757085",
"created_at": "2022-09-04T14:45:29.782455Z",
"structure_string": "Li4 Cr2 Co2 O8\n1.0\n-5.918274 -0.111460 -0.006094\n-2.898104 -3.028216 4.170636\n-0.140406 5.903244 0.016837\nLi Cr Co O\n4 2 2 8\ndirect\n0.495399 0.006431 0.504506 Li\n0.995995 0.507458 0.006685 Li\n0.997401 0.504853 0.503291 Li\n0.997916 0.005749 0.503920 Li\n0.497808 0.504240 0.502916 Cr\n0.997880 0.004320 0.002857 Cr\n0.497775 0.004370 0.002857 Co\n0.497686 0.504407 0.002978 Co\n0.740010 0.019928 0.246234 O\n0.254506 0.519853 0.761133 O\n0.740939 0.488892 0.244749 O\n0.255596 0.988616 0.759434 O\n0.266474 0.495217 0.252541 O\n0.737704 0.021807 0.779543 O\n0.257611 0.987180 0.226465 O\n0.728820 0.513642 0.753387 O\n",
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"elements": [
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"volume": 146.1780028260214,
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"formula_full": "Li4 Cr2 Co2 O8",
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"updated_at": "2021-11-28T01:37:02.790000Z",
"spacegroup": 74
},
{
"id": "mp-757084",
"created_at": "2022-09-04T14:46:57.087416Z",
"structure_string": "Rb12 Sb4 O12\n1.0\n6.921322 0.000000 0.000000\n0.000000 9.234779 0.000000\n0.000000 0.976928 11.188432\nRb Sb O\n12 4 12\ndirect\n0.305225 0.341194 0.065804 Rb\n0.642611 0.921766 0.185863 Rb\n0.775080 0.418075 0.187798 Rb\n0.275080 0.581925 0.312202 Rb\n0.142611 0.078234 0.314137 Rb\n0.805225 0.658806 0.434196 Rb\n0.194775 0.341194 0.565804 Rb\n0.857389 0.921766 0.685863 Rb\n0.724920 0.418075 0.687798 Rb\n0.224920 0.581925 0.812202 Rb\n0.357389 0.078234 0.814137 Rb\n0.694775 0.658806 0.934196 Rb\n0.148996 0.813822 0.060813 Sb\n0.648996 0.186178 0.439187 Sb\n0.351004 0.813822 0.560813 Sb\n0.851004 0.186178 0.939187 Sb\n0.345307 0.657804 0.057174 O\n0.956937 0.182147 0.102732 O\n0.942813 0.711449 0.159099 O\n0.442813 0.288551 0.340901 O\n0.456937 0.817853 0.397268 O\n0.845307 0.342196 0.442826 O\n0.154693 0.657804 0.557174 O\n0.543063 0.182147 0.602732 O\n0.557187 0.711449 0.659099 O\n0.057187 0.288551 0.840901 O\n0.043063 0.817853 0.897268 O\n0.654693 0.342196 0.942826 O\n",
"nsites": 28,
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"elements": [
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"Sb",
"O"
],
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"density": 3.9582080286899712,
"density_atomic": 0.0391537391920329,
"volume": 715.1296549908445,
"volume_molar": 15.380755157161081,
"formula_full": "Rb12 Sb4 O12",
"formula_reduced": "Rb3SbO3",
"formula_anonymous": "AB3C3",
"energy": -135.97059836,
"energy_per_atom": -4.856092798571429,
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"updated_at": "2021-11-28T01:37:52.516000Z",
"spacegroup": 14
},
{
"id": "mp-757083",
"created_at": "2022-09-04T14:39:59.404625Z",
"structure_string": "Co2 B2 O6\n1.0\n4.905127 0.000000 0.000000\n-2.405851 -4.684985 0.000000\n-1.898133 0.812465 -5.207432\nCo B O\n2 2 6\ndirect\n0.948337 0.359764 0.735822 Co\n0.051663 0.640236 0.264178 Co\n0.642102 0.723756 0.741750 B\n0.357898 0.276244 0.258250 B\n0.307322 0.627291 0.635543 O\n0.762506 0.545403 0.868868 O\n0.856208 0.990990 0.712541 O\n0.143792 0.009010 0.287459 O\n0.237494 0.454597 0.131132 O\n0.692678 0.372709 0.364457 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"B",
"O"
],
"chemical_system": "B-Co-O",
"density": 3.2676075445065167,
"density_atomic": 0.0835637519869394,
"volume": 119.6691120518733,
"volume_molar": 7.206642374005935,
"formula_full": "Co2 B2 O6",
"formula_reduced": "CoBO3",
"formula_anonymous": "ABC3",
"energy": -76.91966077,
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"updated_at": "2021-11-28T01:34:46.072000Z",
"spacegroup": 2
},
{
"id": "mp-757082",
"created_at": "2022-09-04T14:46:25.645747Z",
"structure_string": "Li4 Si12 Bi4 O32\n1.0\n6.491922 4.098285 0.000000\n-6.491922 4.098285 0.000000\n0.000000 1.776795 13.363323\nLi Si Bi O\n4 12 4 32\ndirect\n0.369959 0.053597 0.817130 Li\n0.053597 0.369959 0.317130 Li\n0.946403 0.630041 0.682870 Li\n0.630041 0.946403 0.182870 Li\n0.642696 0.849573 0.822694 Si\n0.951879 0.745153 0.904592 Si\n0.326497 0.417988 0.885802 Si\n0.582012 0.673503 0.614198 Si\n0.254847 0.048121 0.595408 Si\n0.849573 0.642696 0.322694 Si\n0.150427 0.357304 0.677306 Si\n0.745153 0.951879 0.404592 Si\n0.417988 0.326497 0.385802 Si\n0.048121 0.254847 0.095408 Si\n0.673503 0.582012 0.114198 Si\n0.357304 0.150427 0.177306 Si\n0.711932 0.274619 0.566849 Bi\n0.725381 0.288068 0.933151 Bi\n0.274619 0.711932 0.066849 Bi\n0.288068 0.725381 0.433151 Bi\n0.174928 0.868288 0.919663 O\n0.456875 0.655782 0.882798 O\n0.432062 0.093537 0.666422 O\n0.645122 0.810057 0.705372 O\n0.612692 0.041603 0.840579 O\n0.457681 0.301083 0.888104 O\n0.846998 0.879857 0.864546 O\n0.655782 0.456875 0.382798 O\n0.868288 0.174928 0.419663 O\n0.698917 0.542319 0.611896 O\n0.120143 0.153002 0.635454 O\n0.093537 0.432062 0.166422 O\n0.810057 0.645122 0.205372 O\n0.958397 0.387308 0.659421 O\n0.379328 0.172423 0.485466 O\n0.620672 0.827577 0.514534 O\n0.041603 0.612692 0.340579 O\n0.906463 0.567938 0.833578 O\n0.189943 0.354878 0.794628 O\n0.879857 0.846998 0.364546 O\n0.301083 0.457681 0.388104 O\n0.131712 0.825072 0.580337 O\n0.344218 0.543125 0.617202 O\n0.153002 0.120143 0.135454 O\n0.542319 0.698917 0.111896 O\n0.387308 0.958397 0.159421 O\n0.172423 0.379328 0.985466 O\n0.827577 0.620672 0.014534 O\n0.354878 0.189943 0.294628 O\n0.567938 0.906463 0.333578 O\n0.543125 0.344218 0.117202 O\n0.825072 0.131712 0.080337 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Li",
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O-Si",
"density": 3.999526300216743,
"density_atomic": 0.07312795565628942,
"volume": 711.0823697083306,
"volume_molar": 8.235073312188321,
"formula_full": "Li4 Si12 Bi4 O32",
"formula_reduced": "LiSi3BiO8",
"formula_anonymous": "ABC3D8",
"energy": -393.18159129,
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"updated_at": "2021-11-28T01:37:34.082000Z",
"spacegroup": 15
},
{
"id": "mp-757080",
"created_at": "2022-09-04T14:41:50.872599Z",
"structure_string": "Mn1 V3 Ni2 P6 O24\n1.0\n7.291127 -4.329133 0.000000\n7.291127 4.329133 0.000000\n4.720689 0.000000 7.043935\nMn V Ni P O\n1 3 2 6 24\ndirect\n0.856741 0.856741 0.856741 Mn\n0.356365 0.356365 0.356365 V\n0.142130 0.142130 0.142130 V\n0.643272 0.643272 0.643272 V\n0.998849 0.998849 0.998849 Ni\n0.498799 0.498799 0.498799 Ni\n0.752284 0.046228 0.452566 P\n0.046228 0.452566 0.752284 P\n0.452566 0.752284 0.046228 P\n0.542274 0.252983 0.956687 P\n0.956687 0.542274 0.252983 P\n0.252983 0.956687 0.542274 P\n0.881202 0.496227 0.688651 O\n0.496227 0.688651 0.881202 O\n0.688651 0.881202 0.496227 O\n0.910475 0.061017 0.252131 O\n0.816762 0.018689 0.602333 O\n0.589259 0.244157 0.429278 O\n0.061017 0.252131 0.910475 O\n0.244157 0.429278 0.589259 O\n0.381631 0.185600 0.997953 O\n0.429278 0.589259 0.244157 O\n0.736432 0.099202 0.950373 O\n0.997953 0.381631 0.185600 O\n0.018689 0.602333 0.816762 O\n0.252131 0.910475 0.061017 O\n0.553780 0.414722 0.758497 O\n0.602333 0.816762 0.018689 O\n0.758497 0.553780 0.414722 O\n0.950373 0.736432 0.099202 O\n0.414722 0.758497 0.553780 O\n0.185600 0.997953 0.381631 O\n0.099202 0.950373 0.736432 O\n0.333552 0.111364 0.487519 O\n0.487519 0.333552 0.111364 O\n0.111364 0.487519 0.333552 O\n",
"nsites": 36,
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"elements": [
"Mn",
"V",
"Ni",
"P",
"O"
],
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"density": 3.3421065841524413,
"density_atomic": 0.08095833612982128,
"volume": 444.67317043512304,
"volume_molar": 7.438567845988282,
"formula_full": "Mn1 V3 Ni2 P6 O24",
"formula_reduced": "MnV3Ni2(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -287.87123798000005,
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"updated_at": "2021-11-28T01:35:26.618000Z",
"spacegroup": 146
},
{
"id": "mp-757079",
"created_at": "2022-09-04T14:46:38.107662Z",
"structure_string": "Li10 Ni6 Sb4 O20\n1.0\n-1.197469 5.297470 -0.031512\n-7.000476 -2.715691 7.230990\n2.291519 2.720393 7.186012\nLi Ni Sb O\n10 6 4 20\ndirect\n0.999940 0.999995 0.500006 Li\n0.499952 0.500003 0.000009 Li\n0.567268 0.075946 0.306966 Li\n0.067237 0.575981 0.807013 Li\n0.432629 0.924015 0.693034 Li\n0.932668 0.424026 0.193070 Li\n0.695833 0.197127 0.604232 Li\n0.195896 0.697084 0.104296 Li\n0.304127 0.802921 0.395696 Li\n0.803979 0.302890 0.895811 Li\n0.000285 0.499915 0.500425 Ni\n0.597016 0.597211 0.300376 Ni\n0.403025 0.402816 0.699649 Ni\n0.500228 0.000162 0.999677 Ni\n0.096872 0.097154 0.800307 Ni\n0.903263 0.902834 0.199623 Ni\n0.306540 0.298984 0.402677 Sb\n0.806516 0.798995 0.902693 Sb\n0.693441 0.701025 0.597288 Sb\n0.193458 0.200979 0.097335 Sb\n0.617063 0.391889 0.441284 O\n0.117077 0.891917 0.941206 O\n0.382831 0.608118 0.558754 O\n0.882876 0.108105 0.058750 O\n0.068175 0.297865 0.643967 O\n0.568207 0.797985 0.143884 O\n0.931825 0.701998 0.356134 O\n0.431789 0.202095 0.856015 O\n0.991936 0.211958 0.346915 O\n0.491868 0.711936 0.846953 O\n0.008039 0.788026 0.653086 O\n0.508069 0.288054 0.153045 O\n0.235885 0.007161 0.239084 O\n0.735551 0.507098 0.739347 O\n0.764419 0.992854 0.760580 O\n0.264292 0.492875 0.260842 O\n0.349702 0.108863 0.545521 O\n0.849728 0.608834 0.045579 O\n0.650308 0.891153 0.454422 O\n0.150190 0.391152 0.954451 O\n",
"nsites": 40,
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],
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"volume": 401.59890147121723,
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"formula_full": "Li10 Ni6 Sb4 O20",
"formula_reduced": "Li5Ni3(SbO5)2",
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"updated_at": "2021-11-28T01:37:43.800000Z",
"spacegroup": 2
},
{
"id": "mp-757078",
"created_at": "2022-09-04T14:42:23.110759Z",
"structure_string": "V4 Fe2 O12\n1.0\n6.886871 0.043867 -0.091746\n-0.662435 6.852911 0.091066\n-1.470649 1.325919 5.575673\nV Fe O\n4 2 12\ndirect\n0.208709 0.613437 0.757619 V\n0.386569 0.791317 0.257639 V\n0.613415 0.208655 0.742402 V\n0.791307 0.386592 0.242400 V\n0.087349 0.087250 0.750075 Fe\n0.912644 0.912690 0.249944 Fe\n0.039835 0.804989 0.643921 O\n0.095297 0.385391 0.776960 O\n0.195114 0.960217 0.143885 O\n0.368592 0.647778 0.553181 O\n0.385479 0.095287 0.722881 O\n0.352202 0.631372 0.053114 O\n0.647785 0.368664 0.946838 O\n0.614531 0.904676 0.277087 O\n0.631368 0.352233 0.446798 O\n0.804901 0.039770 0.856165 O\n0.904719 0.614610 0.223014 O\n0.960184 0.195071 0.356078 O\n",
"nsites": 18,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-O-V",
"density": 3.2207869206792257,
"density_atomic": 0.06880074987230277,
"volume": 261.6250554450176,
"volume_molar": 8.753016167959448,
"formula_full": "V4 Fe2 O12",
"formula_reduced": "V2FeO6",
"formula_anonymous": "AB2C6",
"energy": -152.18447033,
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"updated_at": "2021-11-28T01:35:45.069000Z",
"spacegroup": 15
},
{
"id": "mp-757077",
"created_at": "2022-09-04T14:45:43.417381Z",
"structure_string": "Li2 Cu2 Si8 O19\n1.0\n4.925708 0.000000 0.000000\n2.435005 6.763298 0.000000\n2.444063 2.800309 11.764530\nLi Cu Si O\n2 2 8 19\ndirect\n0.457222 0.424023 0.368945 Li\n0.239587 0.576417 0.635124 Li\n0.728126 0.004776 0.595314 Cu\n0.337160 0.992118 0.402656 Cu\n0.770078 0.686984 0.069709 Si\n0.145878 0.147711 0.832112 Si\n0.068896 0.281202 0.578797 Si\n0.220532 0.270983 0.171017 Si\n0.663083 0.728899 0.827842 Si\n0.932667 0.716389 0.421580 Si\n0.127915 0.849643 0.167945 Si\n0.529442 0.310453 0.929719 Si\n0.855857 0.858452 0.108295 O\n0.420205 0.736589 0.096836 O\n0.122017 0.297034 0.704391 O\n0.748038 0.277887 0.571524 O\n0.927196 0.466266 0.147255 O\n0.335715 0.092433 0.542216 O\n0.326945 0.245896 0.291915 O\n0.368039 0.924925 0.825946 O\n0.474269 0.304929 0.064873 O\n0.843589 0.698363 0.933858 O\n0.121290 0.073649 0.172016 O\n0.866329 0.754290 0.707578 O\n0.972761 0.907018 0.457558 O\n0.546119 0.530919 0.851436 O\n0.601843 0.718809 0.427916 O\n0.126830 0.701234 0.296040 O\n0.127125 0.499232 0.500770 O\n0.254338 0.261066 0.903552 O\n0.824017 0.138343 0.892447 O\n",
"nsites": 31,
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"elements": [
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"Cu",
"Si",
"O"
],
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"density": 2.837219902568755,
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"volume": 391.92391788493626,
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"formula_full": "Li2 Cu2 Si8 O19",
"formula_reduced": "Li2Cu2Si8O19",
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"energy": -235.93696462,
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"spacegroup": 1
},
{
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{
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