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{
"id": "mp-1210944",
"created_at": "2022-09-04T14:48:08.977811Z",
"structure_string": "Mg2 Ti5 P6 O24\n1.0\n6.128748 -0.036295 -2.089569\n-2.358553 7.417153 -2.063225\n0.056786 0.039870 9.471899\nMg Ti P O\n2 5 6 24\ndirect\n0.283868 0.309511 0.789191 Mg\n0.716132 0.690489 0.210809 Mg\n0.049092 0.216177 0.023998 Ti\n0.950908 0.783823 0.976002 Ti\n0.599714 0.037529 0.383956 Ti\n0.400286 0.962471 0.616044 Ti\n0.000000 0.500000 0.500000 Ti\n0.226361 0.642251 0.269704 P\n0.773639 0.357749 0.730296 P\n0.077907 0.086998 0.332172 P\n0.922093 0.913002 0.667828 P\n0.607830 0.274919 0.132370 P\n0.392170 0.725081 0.867630 P\n0.384190 0.284788 0.009941 O\n0.615810 0.715212 0.990059 O\n0.205834 0.444088 0.203842 O\n0.794166 0.555912 0.796158 O\n0.544575 0.138311 0.210701 O\n0.455425 0.861689 0.789299 O\n0.735722 0.464504 0.266268 O\n0.264278 0.535496 0.733732 O\n0.056687 0.044006 0.156029 O\n0.943313 0.955994 0.843971 O\n0.755495 0.225765 0.039974 O\n0.244505 0.774235 0.960026 O\n0.295746 0.039846 0.417079 O\n0.704254 0.960154 0.582921 O\n0.545083 0.242682 0.726136 O\n0.454917 0.757318 0.273864 O\n0.096569 0.280997 0.413618 O\n0.903431 0.719003 0.586382 O\n0.132085 0.043503 0.666209 O\n0.867915 0.956497 0.333791 O\n0.019072 0.687014 0.165431 O\n0.980928 0.312986 0.834569 O\n0.229719 0.689544 0.442227 O\n0.770281 0.310456 0.557773 O\n",
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{
"id": "mp-1265539",
"created_at": "2022-09-04T14:48:09.105701Z",
"structure_string": "Li8 Fe4 Si4 O16\n1.0\n6.350232 0.000000 0.569176\n0.000000 5.117107 0.000000\n-0.658303 0.000000 10.881715\nLi Fe Si O\n8 4 4 16\ndirect\n0.004627 0.200123 0.830441 Li\n0.004627 0.299877 0.330441 Li\n0.216095 0.301997 0.571194 Li\n0.216095 0.198003 0.071194 Li\n0.783905 0.801997 0.928806 Li\n0.783905 0.698003 0.428806 Li\n0.995373 0.700123 0.669559 Li\n0.995373 0.799877 0.169559 Li\n0.505758 0.206617 0.842882 Fe\n0.494242 0.706617 0.657118 Fe\n0.505758 0.293383 0.342882 Fe\n0.494242 0.793383 0.157118 Fe\n0.245902 0.698599 0.910284 Si\n0.245902 0.801401 0.410284 Si\n0.754098 0.198599 0.589716 Si\n0.754098 0.301401 0.089716 Si\n0.048661 0.813970 0.836647 O\n0.048661 0.686030 0.336647 O\n0.242170 0.374687 0.910864 O\n0.246318 0.692590 0.552886 O\n0.242170 0.125313 0.410864 O\n0.475860 0.789703 0.841878 O\n0.246318 0.807410 0.052886 O\n0.475860 0.710297 0.341878 O\n0.524140 0.289703 0.658122 O\n0.753682 0.192590 0.947114 O\n0.524140 0.210297 0.158122 O\n0.757830 0.874687 0.589136 O\n0.753682 0.307410 0.447114 O\n0.757830 0.625313 0.089136 O\n0.951339 0.313970 0.663353 O\n0.951339 0.186030 0.163353 O\n",
"nsites": 32,
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"elements": [
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"chemical_system": "Fe-Li-O-Si",
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"volume": 355.51666361819946,
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"formula_full": "Li8 Fe4 Si4 O16",
"formula_reduced": "Li2FeSiO4",
"formula_anonymous": "ABC2D4",
"energy": -231.33493769,
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"updated_at": "2021-11-28T01:38:32.690000Z",
"spacegroup": 14
},
{
"id": "mp-766045",
"created_at": "2022-09-04T14:48:09.107474Z",
"structure_string": "P2 W2 O10\n1.0\n5.386434 0.000000 0.000000\n-0.748231 5.356255 0.000000\n-2.238909 -2.515136 6.609259\nP W O\n2 2 10\ndirect\n0.331138 0.149628 0.752371 P\n0.668862 0.850372 0.247629 P\n0.000000 0.500000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.146707 0.187503 0.878845 O\n0.286536 0.849762 0.636466 O\n0.926072 0.551587 0.741543 O\n0.269920 0.297617 0.599703 O\n0.730080 0.702383 0.400297 O\n0.626481 0.256216 0.893998 O\n0.373519 0.743784 0.106002 O\n0.073928 0.448413 0.258457 O\n0.713464 0.150238 0.363534 O\n0.853293 0.812497 0.121155 O\n",
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"elements": [
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],
"chemical_system": "O-P-W",
"density": 5.134605336610981,
"density_atomic": 0.07341971208758986,
"volume": 190.6844851597616,
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"formula_full": "P2 W2 O10",
"formula_reduced": "PWO5",
"formula_anonymous": "ABC5",
"energy": -120.49658424,
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"updated_at": "2021-11-28T01:38:27.372000Z",
"spacegroup": 2
},
{
"id": "mp-1340191",
"created_at": "2022-09-04T14:48:09.123911Z",
"structure_string": "Co2 Si4 O12\n1.0\n4.292188 4.745655 0.000000\n-4.292188 4.745655 0.000000\n0.000000 1.825239 5.013855\nCo Si O\n2 4 12\ndirect\n0.899572 0.100428 0.500000 Co\n0.093256 0.906744 0.000000 Co\n0.790339 0.618311 0.489140 Si\n0.213386 0.388156 0.002567 Si\n0.381689 0.209661 0.510860 Si\n0.611844 0.786614 0.997433 Si\n0.361767 0.350127 0.218326 O\n0.909565 0.378009 0.525694 O\n0.186192 0.031671 0.627912 O\n0.633146 0.643036 0.288131 O\n0.090435 0.625203 0.968459 O\n0.814754 0.958812 0.893608 O\n0.621991 0.090435 0.474306 O\n0.968329 0.813808 0.372088 O\n0.356964 0.366854 0.711869 O\n0.649873 0.638233 0.781674 O\n0.041188 0.185246 0.106392 O\n0.374797 0.909565 0.031541 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Co-O-Si",
"density": 3.4323525231513505,
"density_atomic": 0.08812433255127286,
"volume": 204.25686616720947,
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"formula_full": "Co2 Si4 O12",
"formula_reduced": "Co(SiO3)2",
"formula_anonymous": "AB2C6",
"energy": -137.37744078,
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{
"id": "mp-1521244",
"created_at": "2022-09-04T14:48:09.260956Z",
"structure_string": "Sm1 Eu1 Co4 O12\n1.0\n5.251786 0.000000 0.000000\n0.000000 5.251786 -0.000000\n0.000000 0.000000 7.504524\nSm Eu Co O\n1 1 4 12\ndirect\n0.000000 -0.000000 0.500000 Sm\n0.500000 0.500000 -0.000000 Eu\n0.000000 0.500000 0.752022 Co\n-0.000000 0.500000 0.247978 Co\n0.500000 -0.000000 0.247978 Co\n0.500000 -0.000000 0.752022 Co\n0.248359 0.248359 0.251777 O\n0.248359 0.248359 0.748223 O\n0.751641 0.751641 0.251777 O\n0.751641 0.751641 0.748223 O\n0.751641 0.248359 0.748223 O\n0.751641 0.248359 0.251777 O\n0.248359 0.751641 0.748223 O\n0.248359 0.751641 0.251777 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 -0.000000 -0.000000 O\n",
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"elements": [
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],
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"density": 5.856852135799388,
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"volume": 206.98419902647265,
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"formula_full": "Sm1 Eu1 Co4 O12",
"formula_reduced": "SmEu(CoO3)4",
"formula_anonymous": "ABC4D12",
"energy": -129.01757146,
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"spacegroup": 123
},
{
"id": "mp-1022654",
"created_at": "2022-09-04T14:48:09.261681Z",
"structure_string": "Y2 Mg12 Ga2\n1.0\n5.080856 0.000000 0.000000\n0.000000 6.134287 0.000000\n0.000000 0.000000 11.896603\nY Mg Ga\n2 12 2\ndirect\n0.500000 0.500000 0.682289 Y\n0.500000 0.000000 0.182289 Y\n0.500000 0.752516 0.929470 Mg\n0.500000 0.247484 0.929470 Mg\n0.000000 0.249477 0.574937 Mg\n0.000000 0.750523 0.574937 Mg\n0.000000 0.500000 0.841619 Mg\n0.000000 0.000000 0.811071 Mg\n0.500000 0.252516 0.429470 Mg\n0.500000 0.747484 0.429470 Mg\n0.000000 0.749477 0.074937 Mg\n0.000000 0.250523 0.074937 Mg\n0.000000 0.000000 0.341619 Mg\n0.000000 0.500000 0.311071 Mg\n0.500000 0.000000 0.656203 Ga\n0.500000 0.500000 0.156203 Ga\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.72699127963034,
"density_atomic": 0.043151513823038175,
"volume": 370.78652826909064,
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"formula_full": "Y2 Mg12 Ga2",
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"energy": -39.39012752,
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{
"id": "mp-1519390",
"created_at": "2022-09-04T14:48:09.329529Z",
"structure_string": "Ca1 La1 Fe1 Bi1 O6\n1.0\n0.000000 5.756215 0.000000\n2.878108 -2.878108 4.283936\n5.756215 -0.000000 -0.000000\nCa La Fe Bi O\n1 1 1 1 6\ndirect\n0.250000 0.500000 0.250000 Ca\n0.500000 -0.000000 0.500000 La\n0.000000 -0.000000 0.000000 Fe\n0.750000 0.500000 0.750000 Bi\n0.765502 0.531005 0.234498 O\n0.234498 0.468995 0.765502 O\n0.864117 0.991388 0.691838 O\n0.127272 0.991388 0.316774 O\n0.316774 0.008612 0.864117 O\n0.691838 0.008612 0.127272 O\n",
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],
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"volume": 141.9439830880358,
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"formula_full": "Ca1 La1 Fe1 Bi1 O6",
"formula_reduced": "CaLaFeBiO6",
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{
"id": "mp-1100629",
"created_at": "2022-09-04T14:48:09.026053Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.427184 2.635154 0.000000\n-1.427184 2.635154 0.000000\n0.000000 0.180028 39.158698\nLi Mn Co O\n9 2 5 16\ndirect\n0.690838 0.690838 0.063723 Li\n0.059293 0.059293 0.186392 Li\n0.439832 0.439832 0.313994 Li\n0.821125 0.821125 0.438981 Li\n0.179200 0.179200 0.561661 Li\n0.560687 0.560687 0.687408 Li\n0.938019 0.938019 0.811860 Li\n0.310107 0.310107 0.936026 Li\n0.499192 0.499192 0.499948 Li\n0.000468 0.000468 0.000088 Mn\n0.750931 0.750931 0.249666 Mn\n0.374926 0.374926 0.125004 Co\n0.126309 0.126309 0.374986 Co\n0.873830 0.873830 0.625625 Co\n0.247798 0.247798 0.750008 Co\n0.624183 0.624183 0.874463 Co\n0.368608 0.368608 0.029783 O\n0.738115 0.738115 0.152660 O\n0.116120 0.116120 0.278618 O\n0.465711 0.465711 0.402106 O\n0.846107 0.846107 0.531791 O\n0.213705 0.213705 0.655005 O\n0.612684 0.612684 0.778044 O\n0.987628 0.987628 0.902437 O\n0.011447 0.011447 0.097254 O\n0.382781 0.382781 0.220008 O\n0.783405 0.783405 0.345984 O\n0.154944 0.154944 0.468308 O\n0.540346 0.540346 0.598031 O\n0.886956 0.886956 0.722694 O\n0.262416 0.262416 0.846767 O\n0.632288 0.632288 0.970677 O\n",
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"elements": [
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"density": 4.0760928354611945,
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"volume": 294.53994948220856,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -205.76275961,
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{
"id": "mp-1174420",
"created_at": "2022-09-04T14:48:09.055957Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n1.446610 4.899637 0.000000\n-1.446610 4.899637 0.000000\n0.000000 1.653574 10.154419\nLi Mn Co O\n5 2 1 8\ndirect\n0.247053 0.247053 0.129513 Li\n0.747304 0.747304 0.393161 Li\n0.261697 0.261697 0.618276 Li\n0.752584 0.752584 0.861150 Li\n0.996870 0.996870 0.500687 Li\n0.997980 0.997980 0.999103 Mn\n0.495078 0.495078 0.258986 Mn\n0.511603 0.511603 0.722531 Co\n0.383818 0.383818 0.954407 O\n0.890427 0.890427 0.184600 O\n0.383275 0.383275 0.416354 O\n0.882747 0.882747 0.693960 O\n0.109981 0.109981 0.300379 O\n0.627244 0.627244 0.570340 O\n0.106498 0.106498 0.831561 O\n0.605842 0.605842 0.064992 O\n",
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"volume": 143.9462793165475,
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"formula_full": "Li5 Mn2 Co1 O8",
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{
"id": "mp-758657",
"created_at": "2022-09-04T14:48:09.069123Z",
"structure_string": "Li4 Mn2 F12\n1.0\n6.277719 2.640036 0.000000\n-6.277719 2.640036 0.000000\n0.000000 1.058224 7.681107\nLi Mn F\n4 2 12\ndirect\n0.266878 0.714327 0.552506 Li\n0.285673 0.733122 0.947494 Li\n0.714327 0.266878 0.052506 Li\n0.733122 0.285673 0.447494 Li\n0.129080 0.870920 0.250000 Mn\n0.870920 0.129080 0.750000 Mn\n0.251935 0.182094 0.313947 F\n0.019453 0.539810 0.178245 F\n0.963118 0.672205 0.471549 F\n0.327795 0.036882 0.028451 F\n0.460190 0.980547 0.321755 F\n0.817906 0.748065 0.186053 F\n0.182094 0.251935 0.813947 F\n0.539810 0.019453 0.678245 F\n0.672205 0.963118 0.971549 F\n0.036882 0.327795 0.528451 F\n0.980547 0.460190 0.821755 F\n0.748065 0.817906 0.686053 F\n",
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{
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{
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}