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{
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"results": [
{
"id": "mp-753129",
"created_at": "2022-09-04T14:41:29.795208Z",
"structure_string": "Li4 Cr2 Si4 O12\n1.0\n3.018038 5.023341 0.075443\n-3.017517 5.023091 -0.078750\n-0.343033 -0.003032 9.119025\nLi Cr Si O\n4 2 4 12\ndirect\n0.590424 0.690776 0.886012 Li\n0.309680 0.409335 0.385857 Li\n0.690254 0.590698 0.614128 Li\n0.409552 0.309288 0.113976 Li\n0.243948 0.244259 0.749928 Cr\n0.756113 0.755808 0.250155 Cr\n0.128266 0.801175 0.638396 Si\n0.198859 0.871664 0.138435 Si\n0.801137 0.128316 0.861556 Si\n0.871735 0.198823 0.361594 Si\n0.354426 0.850385 0.716443 O\n0.149880 0.645389 0.216324 O\n0.235324 0.502698 0.591513 O\n0.497310 0.764837 0.091668 O\n0.878146 0.878151 0.749919 O\n0.999972 0.000002 0.499998 O\n0.121866 0.121830 0.250073 O\n0.999997 0.000024 0.000002 O\n0.502714 0.235055 0.908349 O\n0.764778 0.497242 0.408505 O\n0.850079 0.354606 0.783639 O\n0.645540 0.149638 0.283528 O\n",
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"elements": [
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"density_atomic": 0.07949834543473891,
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"formula_full": "Li4 Cr2 Si4 O12",
"formula_reduced": "Li2Cr(SiO3)2",
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"spacegroup": 15
},
{
"id": "mp-1202163",
"created_at": "2022-09-04T14:48:01.654230Z",
"structure_string": "Ca6 Si6 O19\n1.0\n7.410391 0.000000 0.000000\n3.702177 7.017115 0.000000\n1.852425 0.062702 8.700538\nCa Si O\n6 6 19\ndirect\n0.745682 0.508175 0.495272 Ca\n0.254318 0.491825 0.504728 Ca\n0.670045 0.336964 0.129903 Ca\n0.329955 0.663036 0.870097 Ca\n0.180739 0.335741 0.134878 Ca\n0.819261 0.664259 0.865122 Ca\n0.910155 0.762558 0.208369 Si\n0.089845 0.237442 0.791631 Si\n0.477704 0.770917 0.214982 Si\n0.522296 0.229083 0.785018 Si\n0.020231 0.057029 0.318992 Si\n0.979769 0.942971 0.681008 Si\n0.000000 0.000000 0.500000 O\n0.660675 0.832409 0.218751 O\n0.339325 0.167591 0.781249 O\n0.470334 0.621552 0.351989 O\n0.529666 0.378448 0.648011 O\n0.999496 0.607412 0.342408 O\n0.000504 0.392588 0.657592 O\n0.916821 0.966724 0.224732 O\n0.083179 0.033276 0.775268 O\n0.265067 0.981346 0.234511 O\n0.734933 0.018654 0.765489 O\n0.522641 0.674623 0.048839 O\n0.477359 0.325377 0.951161 O\n0.035149 0.665323 0.041538 O\n0.964851 0.334677 0.958462 O\n0.907114 0.283750 0.294468 O\n0.092886 0.716250 0.705532 O\n0.409366 0.291284 0.295282 O\n0.590634 0.708716 0.704718 O\n",
"nsites": 31,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 2.6168226142278015,
"density_atomic": 0.06851976551322592,
"volume": 452.42419859151846,
"volume_molar": 8.788910345639737,
"formula_full": "Ca6 Si6 O19",
"formula_reduced": "Ca6Si6O19",
"formula_anonymous": "A6B6C19",
"energy": -239.51722933,
"energy_per_atom": -7.726362236451613,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.575000Z",
"spacegroup": 2
},
{
"id": "mp-752622",
"created_at": "2022-09-04T14:39:44.082212Z",
"structure_string": "Li6 Co6 P6 O24\n1.0\n5.294212 -0.002891 -0.000407\n2.644603 4.579970 0.000045\n-0.002143 0.001277 25.248071\nLi Co P O\n6 6 6 24\ndirect\n0.000022 0.999800 0.083210 Li\n0.999879 0.000019 0.583291 Li\n0.000094 0.000067 0.250102 Li\n0.000093 0.999832 0.750042 Li\n0.000012 0.000019 0.416672 Li\n0.000044 0.999970 0.916662 Li\n0.500045 0.499829 0.833361 Co\n0.999811 0.500087 0.166655 Co\n0.499984 0.999978 0.499981 Co\n0.500015 0.500045 0.333442 Co\n0.999916 0.500104 0.666660 Co\n0.500094 0.999957 0.999899 Co\n0.499994 0.499860 0.083216 P\n0.499954 0.499958 0.583352 P\n0.999972 0.500153 0.416707 P\n0.000020 0.500076 0.916638 P\n0.500035 0.000140 0.250121 P\n0.499997 0.999950 0.749978 P\n0.402634 0.819977 0.284221 O\n0.402759 0.819679 0.784140 O\n0.402466 0.777565 0.049105 O\n0.402609 0.777567 0.549194 O\n0.776686 0.403534 0.117465 O\n0.777163 0.403204 0.617499 O\n0.819783 0.402823 0.382564 O\n0.819747 0.402759 0.882500 O\n0.819737 0.777483 0.450841 O\n0.819837 0.777396 0.950768 O\n0.776713 0.819779 0.215859 O\n0.777003 0.819717 0.715823 O\n0.222704 0.181644 0.216089 O\n0.222723 0.180433 0.715835 O\n0.180242 0.222557 0.450849 O\n0.180198 0.222556 0.950796 O\n0.222716 0.595756 0.117234 O\n0.222873 0.596864 0.617509 O\n0.180124 0.597278 0.382558 O\n0.180240 0.597141 0.882494 O\n0.598261 0.222261 0.048998 O\n0.597144 0.222538 0.549210 O\n0.598346 0.179504 0.284333 O\n0.597308 0.180143 0.784131 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
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"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 2.6168590954377042,
"density_atomic": 0.06858358965476861,
"volume": 612.3913929179959,
"volume_molar": 8.780731353249138,
"formula_full": "Li6 Co6 P6 O24",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy": -303.76670137,
"energy_per_atom": -7.2325405088095245,
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"updated_at": "2021-11-28T01:34:32.855000Z",
"spacegroup": 180
},
{
"id": "mp-1111343",
"created_at": "2022-09-04T14:45:17.396230Z",
"structure_string": "Na1 Li2 Nb1 F6\n1.0\n0.000000 4.260610 4.260610\n4.260610 0.000000 4.260610\n4.260610 4.260610 0.000000\nNa Li Nb F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Nb\n0.755626 0.244374 0.244374 F\n0.244374 0.244374 0.755626 F\n0.244374 0.755626 0.755626 F\n0.244374 0.755626 0.244374 F\n0.755626 0.244374 0.755626 F\n0.755626 0.755626 0.244374 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Nb",
"F"
],
"chemical_system": "F-Li-Na-Nb",
"density": 2.6168658619335146,
"density_atomic": 0.06464793502424547,
"volume": 154.68398172732995,
"volume_molar": 9.31528711279249,
"formula_full": "Na1 Li2 Nb1 F6",
"formula_reduced": "NaLi2NbF6",
"formula_anonymous": "ABC2D6",
"energy": -53.80320271000001,
"energy_per_atom": -5.380320271,
"energy_above_hull": null,
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"energy_uncorrected": -51.03120271,
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"updated_at": "2021-11-28T01:37:03.330000Z",
"spacegroup": 225
},
{
"id": "mp-1177763",
"created_at": "2022-09-04T14:43:05.199331Z",
"structure_string": "Li6 V10 P14 O58\n1.0\n6.360285 -0.016474 -0.013337\n3.127583 9.935122 -0.060801\n1.796731 -0.195028 19.188152\nLi V P O\n6 10 14 58\ndirect\n0.313696 0.094653 0.496382 Li\n0.347413 0.387150 0.751291 Li\n0.181490 0.669271 0.845137 Li\n0.896850 0.884229 0.070231 Li\n0.861188 0.327455 0.136734 Li\n0.656492 0.605394 0.248001 Li\n0.078492 0.042985 0.652683 V\n0.329333 0.312245 0.017090 V\n0.404267 0.141016 0.164055 V\n0.087201 0.753494 0.199840 V\n0.209207 0.364334 0.393305 V\n0.798070 0.641115 0.603336 V\n0.914452 0.245113 0.805850 V\n0.605084 0.859604 0.831349 V\n0.657420 0.692624 0.983453 V\n0.924799 0.960382 0.350138 V\n0.143518 0.433961 0.227233 P\n0.044298 0.683486 0.452638 P\n0.172988 0.643517 0.026937 P\n0.387935 0.046097 0.337167 P\n0.258801 0.722018 0.575600 P\n0.424738 0.202221 0.848807 P\n0.084553 0.918669 0.806580 P\n0.917158 0.081665 0.192636 P\n0.575607 0.795682 0.153325 P\n0.751532 0.281823 0.421298 P\n0.619355 0.954905 0.659918 P\n0.822079 0.362746 0.975170 P\n0.963442 0.317943 0.544558 P\n0.865389 0.563653 0.769587 P\n0.012303 0.300972 0.022124 O\n0.085936 0.155820 0.165562 O\n0.005330 0.061106 0.836992 O\n0.066674 0.173074 0.568671 O\n0.179504 0.495607 0.040818 O\n0.143152 0.345023 0.490223 O\n0.386862 0.102199 0.262609 O\n0.301249 0.334583 0.172703 O\n0.410494 0.166547 0.066549 O\n0.154065 0.718404 0.096738 O\n0.012700 0.818167 0.283666 O\n0.316948 0.158380 0.394143 O\n0.128443 0.568449 0.399438 O\n0.205199 0.565598 0.220528 O\n0.227762 0.377215 0.299240 O\n0.218816 0.257885 0.807252 O\n0.103628 0.651766 0.613628 O\n0.108452 0.551470 0.776057 O\n0.388265 0.045793 0.646181 O\n0.250149 0.693818 0.492498 O\n0.493083 0.050918 0.858459 O\n0.377686 0.274178 0.920948 O\n0.113361 0.913321 0.726700 O\n0.194164 0.875747 0.585104 O\n0.609366 0.355598 0.018773 O\n0.698452 0.169390 0.164580 O\n0.226555 0.959867 0.350423 O\n0.513786 0.354512 0.406782 O\n0.399954 0.758091 0.202953 O\n0.596800 0.253176 0.802677 O\n0.496489 0.643615 0.588428 O\n0.775938 0.041124 0.645702 O\n0.306565 0.834077 0.833677 O\n0.376446 0.648877 0.978486 O\n0.821494 0.127529 0.413529 O\n0.885857 0.084377 0.272456 O\n0.601195 0.726863 0.081288 O\n0.538735 0.946791 0.139970 O\n0.755265 0.313640 0.503723 O\n0.621080 0.954786 0.349349 O\n0.901528 0.446002 0.220520 O\n0.905247 0.352194 0.382564 O\n0.788158 0.733051 0.190555 O\n0.783282 0.616960 0.697365 O\n0.812478 0.428821 0.777397 O\n0.887174 0.427878 0.598991 O\n0.688758 0.833652 0.609950 O\n0.988681 0.176371 0.715191 O\n0.855414 0.291693 0.904384 O\n0.589577 0.831191 0.931862 O\n0.703498 0.663370 0.822986 O\n0.616349 0.902021 0.736944 O\n0.870611 0.650992 0.506099 O\n0.813674 0.511947 0.961070 O\n0.949240 0.823685 0.423102 O\n0.984640 0.940626 0.158841 O\n0.924479 0.838233 0.834232 O\n0.962329 0.721039 0.991513 O\n",
"nsites": 88,
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"elements": [
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"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.616904969282494,
"density_atomic": 0.07250767979440705,
"volume": 1213.6645421494782,
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"formula_full": "Li6 V10 P14 O58",
"formula_reduced": "Li3V5P7O29",
"formula_anonymous": "A3B5C7D29",
"energy": -694.3814575600001,
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"updated_at": "2021-11-28T01:35:57.441000Z",
"spacegroup": 1
},
{
"id": "mp-1022793",
"created_at": "2022-09-04T14:42:24.319803Z",
"structure_string": "Cs2 Y2 Mg12\n1.0\n5.458356 0.000000 0.000000\n0.000000 7.190178 0.000000\n0.000000 0.000000 11.887968\nCs Y Mg\n2 2 12\ndirect\n0.500000 0.500000 0.146920 Cs\n0.500000 0.000000 0.646920 Cs\n0.000000 0.500000 0.347129 Y\n0.000000 0.000000 0.847129 Y\n0.000000 0.217186 0.086453 Mg\n0.000000 0.782814 0.086453 Mg\n0.000000 0.500000 0.842577 Mg\n0.500000 0.234842 0.910780 Mg\n0.500000 0.765158 0.910780 Mg\n0.500000 0.500000 0.668907 Mg\n0.000000 0.717186 0.586453 Mg\n0.000000 0.282814 0.586453 Mg\n0.000000 0.000000 0.342577 Mg\n0.500000 0.734842 0.410780 Mg\n0.500000 0.265158 0.410780 Mg\n0.500000 0.000000 0.168907 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Y",
"Mg"
],
"chemical_system": "Cs-Mg-Y",
"density": 2.6169429907635116,
"density_atomic": 0.03429342454239509,
"volume": 466.56174510131154,
"volume_molar": 17.560628138945866,
"formula_full": "Cs2 Y2 Mg12",
"formula_reduced": "CsYMg6",
"formula_anonymous": "ABC6",
"energy": -29.51772622,
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"updated_at": "2021-11-28T01:35:48.520000Z",
"spacegroup": 38
},
{
"id": "mp-42298",
"created_at": "2022-09-04T14:46:10.994994Z",
"structure_string": "Na6 Al4 Fe1 Si8 O26\n1.0\n8.091992 -0.128310 -0.043585\n-3.901433 7.660599 -0.336206\n0.016191 -3.785328 9.902504\nNa Al Fe Si O\n6 4 1 8 26\ndirect\n0.157144 0.316988 0.891277 Na\n0.278126 0.539890 0.557480 Na\n0.480845 0.932077 0.165299 Na\n0.539312 0.067005 0.834114 Na\n0.736967 0.460122 0.442682 Na\n0.837350 0.683477 0.108777 Na\n0.160215 0.712101 0.347666 Al\n0.446986 0.288072 0.651220 Al\n0.748740 0.881015 0.657369 Al\n0.869336 0.119295 0.344764 Al\n0.989596 0.999879 0.999129 Fe\n0.137207 0.879374 0.657557 Si\n0.149133 0.697393 0.866826 Si\n0.259111 0.119948 0.340517 Si\n0.532736 0.696098 0.868948 Si\n0.554497 0.706953 0.349408 Si\n0.454854 0.301788 0.130997 Si\n0.840702 0.305203 0.133262 Si\n0.846041 0.292674 0.651879 Si\n0.062814 0.796755 0.981708 O\n0.060579 0.724795 0.497443 O\n0.015637 0.461032 0.789888 O\n0.260844 0.924696 0.320455 O\n0.198536 0.779038 0.743184 O\n0.050338 0.076280 0.278106 O\n0.335434 0.650265 0.365810 O\n0.356326 0.733986 0.933958 O\n0.275413 0.203001 0.012357 O\n0.337745 0.275515 0.500555 O\n0.575019 0.781907 0.748608 O\n0.432751 0.462019 0.793341 O\n0.664192 0.903015 0.323436 O\n0.332992 0.074370 0.677231 O\n0.556924 0.538277 0.211353 O\n0.418709 0.217743 0.253326 O\n0.662978 0.715062 0.483709 O\n0.706169 0.801868 0.996222 O\n0.628381 0.266143 0.066167 O\n0.684199 0.349879 0.634343 O\n0.972837 0.923442 0.722408 O\n0.796787 0.221564 0.254790 O\n0.758984 0.097551 0.679098 O\n0.973426 0.539124 0.205593 O\n0.948917 0.284220 0.518494 O\n0.914169 0.199103 0.009246 O\n",
"nsites": 45,
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"density": 2.6169978678075227,
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"volume": 597.9583652622038,
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"formula_full": "Na6 Al4 Fe1 Si8 O26",
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},
{
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}