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{
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"results": [
{
"id": "mp-19903",
"created_at": "2022-09-04T14:41:07.415738Z",
"structure_string": "V2 Pb3 O8\n1.0\n3.227642 4.782308 0.000000\n-3.227642 4.782308 0.000000\n0.000000 3.327168 6.826418\nV Pb O\n2 3 8\ndirect\n0.405661 0.401814 0.800108 V\n0.598186 0.594339 0.199892 V\n0.834123 0.704655 0.623030 Pb\n0.295345 0.165877 0.376970 Pb\n0.013525 0.986475 0.000000 Pb\n0.316858 0.223274 0.041314 O\n0.776726 0.683142 0.958686 O\n0.239848 0.348152 0.672746 O\n0.651848 0.760152 0.327254 O\n0.338445 0.736575 0.768958 O\n0.698650 0.256120 0.288274 O\n0.743880 0.301350 0.711726 O\n0.263425 0.661555 0.231042 O\n",
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],
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"density": 6.709294514340389,
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"volume": 210.7394171527517,
"volume_molar": 9.762326413647918,
"formula_full": "V2 Pb3 O8",
"formula_reduced": "V2Pb3O8",
"formula_anonymous": "A2B3C8",
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"spacegroup": 5
},
{
"id": "mp-780842",
"created_at": "2022-09-04T14:41:07.730183Z",
"structure_string": "Li24 Ti1 Cr11 O36\n1.0\n4.359782 7.584793 0.000000\n-4.359782 7.584793 0.000000\n0.000000 6.663099 9.625224\nLi Ti Cr O\n24 1 11 36\ndirect\n0.827235 0.175490 0.749791 Li\n0.833573 0.498910 0.500002 Li\n0.501625 0.164561 0.250845 Li\n0.495972 0.837057 0.249961 Li\n0.498229 0.169530 0.998101 Li\n0.162943 0.504028 0.750039 Li\n0.503288 0.490643 0.751165 Li\n0.498718 0.168150 0.749133 Li\n0.167383 0.832617 0.500000 Li\n0.173516 0.163852 0.249392 Li\n0.168957 0.830867 0.248363 Li\n0.157220 0.505287 0.251064 Li\n0.169133 0.831043 0.751637 Li\n0.839505 0.825796 0.251322 Li\n0.831850 0.501282 0.250867 Li\n0.824510 0.172765 0.250209 Li\n0.830470 0.501771 0.001899 Li\n0.494713 0.842780 0.748936 Li\n0.836148 0.826484 0.750608 Li\n0.835439 0.498375 0.749155 Li\n0.501090 0.166427 0.499998 Li\n0.509357 0.496712 0.248835 Li\n0.166441 0.833559 0.000000 Li\n0.174204 0.160495 0.748678 Li\n0.499236 0.500764 0.000000 Ti\n0.508877 0.831430 0.499783 Cr\n0.494618 0.505382 0.500000 Cr\n0.167228 0.159371 0.499590 Cr\n0.168570 0.491123 0.500217 Cr\n0.165165 0.501142 0.997581 Cr\n0.165181 0.172720 0.993782 Cr\n0.829822 0.170178 0.500000 Cr\n0.840629 0.832772 0.500410 Cr\n0.827280 0.834819 0.006218 Cr\n0.838136 0.161864 0.000000 Cr\n0.498858 0.834835 0.002419 Cr\n0.662846 0.330803 0.614311 O\n0.642231 0.675347 0.387543 O\n0.686064 0.994596 0.113646 O\n0.357575 0.660341 0.611889 O\n0.672823 0.334798 0.884724 O\n0.324653 0.357769 0.612457 O\n0.334403 0.005733 0.385556 O\n0.339659 0.642425 0.388111 O\n0.328318 0.355159 0.112647 O\n0.332055 0.995603 0.112000 O\n0.022614 0.329095 0.612060 O\n0.332543 0.645894 0.886829 O\n0.999392 0.023954 0.612970 O\n0.994267 0.665597 0.614444 O\n0.316819 0.334807 0.884227 O\n0.995752 0.313219 0.387942 O\n0.009283 0.667325 0.385500 O\n0.976046 0.000608 0.387030 O\n0.028419 0.329426 0.110121 O\n0.992434 0.667311 0.115999 O\n0.992926 0.023343 0.111817 O\n0.686781 0.004248 0.612058 O\n0.004397 0.667945 0.888000 O\n0.005404 0.313936 0.886354 O\n0.666934 0.691817 0.611786 O\n0.976657 0.007074 0.888183 O\n0.669197 0.337154 0.385689 O\n0.670905 0.977386 0.387940 O\n0.665193 0.683181 0.115773 O\n0.665202 0.327177 0.115276 O\n0.670574 0.971581 0.889879 O\n0.332675 0.990717 0.614500 O\n0.644841 0.671682 0.887353 O\n0.308183 0.333066 0.388214 O\n0.354106 0.667457 0.113171 O\n0.332689 0.007566 0.884001 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
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"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.553858084955794,
"density_atomic": 0.11310535019222495,
"volume": 636.5746613898854,
"volume_molar": 5.32436418769337,
"formula_full": "Li24 Ti1 Cr11 O36",
"formula_reduced": "Li24TiCr11O36",
"formula_anonymous": "AB11C24D36",
"energy": -503.18445866,
"energy_per_atom": -6.988673036944444,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:08.596000Z",
"spacegroup": 5
},
{
"id": "mp-765951",
"created_at": "2022-09-04T14:41:07.663545Z",
"structure_string": "Li8 Mn4 O8 F4\n1.0\n2.590197 4.445956 0.042546\n-2.590242 4.445983 -0.042657\n1.569787 -0.000130 9.713525\nLi Mn O F\n8 4 8 4\ndirect\n0.792752 0.042767 0.625033 Li\n0.146037 0.396074 0.625033 Li\n0.290602 0.540619 0.125000 Li\n0.612554 0.862570 0.124993 Li\n0.669747 0.482733 0.873205 Li\n0.232707 0.919736 0.376796 Li\n0.381178 0.123646 0.880947 Li\n0.873709 0.631145 0.369082 Li\n0.477730 0.727541 0.624934 Mn\n0.930566 0.180653 0.125001 Mn\n0.014662 0.811179 0.870215 Mn\n0.561089 0.264613 0.379770 Mn\n0.383070 0.500150 0.750689 O\n0.250122 0.632989 0.499247 O\n0.527426 0.989898 0.500569 O\n0.739898 0.777419 0.749391 O\n0.673163 0.147056 0.990650 O\n0.897051 0.923126 0.259374 O\n0.266751 0.854928 0.001780 O\n0.604841 0.516786 0.248280 O\n0.884886 0.313681 0.501764 F\n0.063686 0.134861 0.748222 F\n0.981525 0.494283 0.006468 F\n0.244251 0.231545 0.243557 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.5667642791950827,
"density_atomic": 0.10756159172653543,
"volume": 223.1279736080663,
"volume_molar": 5.5987836023389175,
"formula_full": "Li8 Mn4 O8 F4",
"formula_reduced": "Li2MnO2F",
"formula_anonymous": "ABC2D2",
"energy": -157.12224644999998,
"energy_per_atom": -6.546760268749999,
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"updated_at": "2021-11-28T01:35:10.589000Z",
"spacegroup": 5
},
{
"id": "mp-774573",
"created_at": "2022-09-04T14:41:07.866720Z",
"structure_string": "Li4 Mn4 Ni2 P6 O24\n1.0\n4.445418 7.243165 0.000000\n-4.445418 7.243165 0.000000\n0.000000 4.206518 7.194301\nLi Mn Ni P O\n4 4 2 6 24\ndirect\n0.359443 0.640557 0.500000 Li\n0.658770 0.341230 0.000000 Li\n0.247863 0.150369 0.603744 Li\n0.849631 0.752137 0.396256 Li\n0.355356 0.853164 0.104734 Mn\n0.146836 0.644644 0.895266 Mn\n0.844378 0.348598 0.594632 Mn\n0.651402 0.155622 0.405368 Mn\n0.498326 0.005832 0.245446 Ni\n0.994168 0.501674 0.754554 Ni\n0.749323 0.561884 0.178966 P\n0.438116 0.250677 0.821034 P\n0.060697 0.939303 0.500000 P\n0.959459 0.040541 0.000000 P\n0.546639 0.749288 0.691394 P\n0.250712 0.453361 0.308606 P\n0.183288 0.513111 0.142339 O\n0.004939 0.886875 0.921498 O\n0.583452 0.752312 0.176569 O\n0.403390 0.679990 0.702931 O\n0.687434 0.404394 0.211260 O\n0.897821 0.580789 0.988572 O\n0.419211 0.102179 0.011428 O\n0.247688 0.416548 0.823431 O\n0.113125 0.995061 0.078502 O\n0.083239 0.741910 0.647993 O\n0.763874 0.058153 0.146547 O\n0.486889 0.816712 0.857661 O\n0.462252 0.190036 0.660513 O\n0.258090 0.916761 0.352007 O\n0.941847 0.236126 0.853453 O\n0.905974 0.969616 0.432775 O\n0.744288 0.599570 0.682929 O\n0.571402 0.902723 0.498498 O\n0.097277 0.428598 0.501502 O\n0.320010 0.596610 0.297069 O\n0.595606 0.312566 0.788740 O\n0.400430 0.255712 0.317071 O\n0.030384 0.094026 0.567225 O\n0.809964 0.537748 0.339487 O\n",
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"P",
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],
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"density_atomic": 0.0863376869158016,
"volume": 463.29710036138533,
"volume_molar": 6.975100880190274,
"formula_full": "Li4 Mn4 Ni2 P6 O24",
"formula_reduced": "Li2Mn2Ni(PO4)3",
"formula_anonymous": "AB2C2D3E12",
"energy": -303.53275188000003,
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"updated_at": "2021-11-28T01:35:13.374000Z",
"spacegroup": 5
},
{
"id": "mp-1236029",
"created_at": "2022-09-04T14:41:08.105834Z",
"structure_string": "Li1 Ho2 Ta2 O8\n1.0\n4.947528 -0.179167 -1.757351\n-1.500768 4.789442 -1.920397\n0.009837 0.096333 6.473617\nLi Ho Ta O\n1 2 2 8\ndirect\n0.916102 0.666102 0.332204 Li\n0.378547 0.628547 0.257093 Ho\n0.608562 0.358562 0.717125 Ho\n0.839945 0.089945 0.179889 Ta\n0.164517 0.914517 0.829035 Ta\n0.003478 0.772099 0.061848 O\n0.558370 0.289748 0.061848 O\n0.989498 0.211347 0.937309 O\n0.447809 0.725961 0.937309 O\n0.213773 0.350547 0.415847 O\n0.702074 0.065299 0.415847 O\n0.796053 0.652771 0.577324 O\n0.281271 0.924553 0.577324 O\n",
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"elements": [
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],
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"density": 8.977360883980937,
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"volume": 152.91301932828057,
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"formula_full": "Li1 Ho2 Ta2 O8",
"formula_reduced": "LiHo2Ta2O8",
"formula_anonymous": "AB2C2D8",
"energy": -118.18554259,
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{
"id": "mp-677178",
"created_at": "2022-09-04T14:41:08.762387Z",
"structure_string": "Ta4 W4 O22\n1.0\n3.656629 6.368353 0.000000\n-3.656629 6.368353 0.000000\n0.000000 5.569505 12.773905\nTa W O\n4 4 22\ndirect\n0.006969 0.473389 0.540435 Ta\n0.691912 0.778922 0.228418 Ta\n0.526611 0.993031 0.459565 Ta\n0.221078 0.308088 0.771582 Ta\n0.006744 0.993256 0.000000 W\n0.502163 0.009098 0.987071 W\n0.990902 0.497837 0.012929 W\n0.519557 0.480443 0.500000 W\n0.282385 0.909144 0.024193 O\n0.619374 0.585123 0.349639 O\n0.910690 0.276198 0.028540 O\n0.789926 0.399500 0.528578 O\n0.884456 0.532180 0.151107 O\n0.228879 0.210496 0.491011 O\n0.113859 0.093118 0.854404 O\n0.596011 0.983001 0.318754 O\n0.275858 0.281981 0.023847 O\n0.494028 0.913339 0.146031 O\n0.600500 0.210074 0.471422 O\n0.425374 0.770496 0.516323 O\n0.467820 0.115544 0.848893 O\n0.718019 0.724142 0.976153 O\n0.789504 0.771121 0.508989 O\n0.906882 0.886141 0.145596 O\n0.086661 0.505972 0.853969 O\n0.229504 0.574626 0.483677 O\n0.016999 0.403989 0.681246 O\n0.090856 0.717615 0.975807 O\n0.414877 0.380626 0.650361 O\n0.723802 0.089310 0.971460 O\n",
"nsites": 30,
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"elements": [
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"W",
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],
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"density": 5.0552077895168575,
"density_atomic": 0.0504265840226485,
"volume": 594.9242960127115,
"volume_molar": 11.942392840441517,
"formula_full": "Ta4 W4 O22",
"formula_reduced": "Ta2W2O11",
"formula_anonymous": "A2B2C11",
"energy": -287.89244877,
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"spacegroup": 5
},
{
"id": "mp-684743",
"created_at": "2022-09-04T14:41:08.876027Z",
"structure_string": "Ga1 Ge5 H6 C4 N1 O12\n1.0\n4.652899 6.435495 0.000000\n-4.652899 6.435495 0.000000\n0.000000 6.358323 6.463376\nGa Ge H C N O\n1 5 6 4 1 12\ndirect\n0.750664 0.249336 0.500000 Ga\n0.748107 0.756088 0.754829 Ge\n0.507460 0.501093 0.744937 Ge\n0.498907 0.492540 0.255063 Ge\n0.248715 0.751285 0.500000 Ge\n0.243912 0.251893 0.245171 Ge\n0.811783 0.870322 0.323136 H\n0.654052 0.033088 0.190413 H\n0.228539 0.919011 0.095729 H\n0.966912 0.345948 0.809587 H\n0.129678 0.188217 0.676864 H\n0.080989 0.771461 0.904271 H\n0.034564 0.202811 0.814437 C\n0.797189 0.965436 0.185563 C\n0.174040 0.904548 0.017923 C\n0.095452 0.825960 0.982077 C\n0.972042 0.027958 0.000000 N\n0.004936 0.278020 0.272803 O\n0.721980 0.995064 0.727197 O\n0.716235 0.564844 0.003976 O\n0.719509 0.444638 0.562878 O\n0.566835 0.718242 0.719628 O\n0.555362 0.280491 0.437122 O\n0.281758 0.433165 0.280372 O\n0.435156 0.283765 0.996024 O\n0.418697 0.716146 0.283135 O\n0.288378 0.002705 0.423735 O\n0.283854 0.581303 0.716865 O\n0.997295 0.711622 0.576265 O\n",
"nsites": 29,
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"elements": [
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"H",
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"density": 2.973003645414805,
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"volume": 387.0748905081686,
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"formula_full": "Ga1 Ge5 H6 C4 N1 O12",
"formula_reduced": "GaGe5H6C4NO12",
"formula_anonymous": "ABC4D5E6F12",
"energy": -183.21106543,
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"updated_at": "2021-11-28T01:35:25.662000Z",
"spacegroup": 5
},
{
"id": "mp-754737",
"created_at": "2022-09-04T14:41:08.904159Z",
"structure_string": "Li5 Nb2 V5 O12\n1.0\n5.241921 0.230678 -0.152631\n2.495714 4.615449 0.152631\n-0.716631 1.144220 10.110640\nLi Nb V O\n5 2 5 12\ndirect\n0.164785 0.679454 0.504817 Li\n0.318024 0.824707 0.992070 Li\n0.679454 0.164785 0.995183 Li\n0.824707 0.318024 0.507930 Li\n0.923087 0.923087 0.750000 Li\n0.251786 0.251786 0.750000 Nb\n0.743290 0.743290 0.250000 Nb\n0.997811 0.503781 0.993424 V\n0.503781 0.997811 0.506576 V\n0.431256 0.431256 0.250000 V\n0.581671 0.581671 0.750000 V\n0.078063 0.078063 0.250000 V\n0.974790 0.203042 0.869767 O\n0.203042 0.974790 0.630233 O\n0.122749 0.382001 0.368141 O\n0.382001 0.122749 0.131859 O\n0.291847 0.532602 0.869355 O\n0.532602 0.291847 0.630645 O\n0.457286 0.710380 0.382449 O\n0.710380 0.457286 0.117551 O\n0.614294 0.887551 0.868524 O\n0.887551 0.614294 0.631476 O\n0.790089 0.035653 0.375840 O\n0.035653 0.790089 0.124160 O\n",
"nsites": 24,
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"elements": [
"Li",
"Nb",
"V",
"O"
],
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"volume": 236.91283812467682,
"volume_molar": 5.94467691265791,
"formula_full": "Li5 Nb2 V5 O12",
"formula_reduced": "Li5Nb2V5O12",
"formula_anonymous": "A2B5C5D12",
"energy": -192.05453744,
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