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{
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"results": [
{
"id": "mp-1100667",
"created_at": "2022-09-04T14:46:52.812509Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.445924 10.551028 0.000000\n-1.445924 10.551028 0.000000\n0.000000 4.017099 9.444517\nLi Mn Co O\n9 2 5 16\ndirect\n0.626001 0.626001 0.809121 Li\n0.875700 0.875700 0.441146 Li\n0.128843 0.128843 0.063948 Li\n0.126152 0.126152 0.554412 Li\n0.369882 0.369882 0.189979 Li\n0.622575 0.622575 0.327536 Li\n0.875111 0.875111 0.927310 Li\n0.380103 0.380103 0.686483 Li\n0.997744 0.997744 0.500414 Li\n0.999186 0.999186 0.999809 Mn\n0.498566 0.498566 0.259204 Mn\n0.250746 0.250746 0.625911 Co\n0.748781 0.748781 0.875336 Co\n0.249556 0.249556 0.124961 Co\n0.504612 0.504612 0.723585 Co\n0.750982 0.750982 0.373591 Co\n0.552719 0.552719 0.038258 O\n0.804789 0.804789 0.657517 O\n0.055840 0.055840 0.273262 O\n0.052541 0.052541 0.803486 O\n0.308031 0.308031 0.401395 O\n0.563244 0.563244 0.543033 O\n0.807142 0.807142 0.156836 O\n0.307123 0.307123 0.908914 O\n0.696769 0.696769 0.593454 O\n0.946740 0.946740 0.210412 O\n0.189337 0.189337 0.847868 O\n0.192544 0.192544 0.342403 O\n0.443031 0.443031 0.980730 O\n0.692283 0.692283 0.093411 O\n0.940906 0.940906 0.722068 O\n0.442419 0.442419 0.444205 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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"updated_at": "2021-11-28T01:37:37.309000Z",
"spacegroup": 8
},
{
"id": "mp-755290",
"created_at": "2022-09-04T14:40:27.333366Z",
"structure_string": "V6 O8 F4\n1.0\n5.593264 0.000000 0.000000\n1.834297 5.286228 0.000000\n2.322188 1.665917 6.802052\nV O F\n6 8 4\ndirect\n0.678480 0.700866 0.841014 V\n0.328092 0.342812 0.672354 V\n0.646568 0.649690 0.320846 V\n0.319573 0.330287 0.168825 V\n0.999469 0.001730 0.495614 V\n0.030318 0.983707 0.000273 V\n0.022901 0.646687 0.669780 O\n0.367475 0.954065 0.334275 O\n0.229873 0.229278 0.965248 O\n0.769483 0.768630 0.035862 O\n0.427645 0.431285 0.373050 O\n0.321582 0.687378 0.991537 O\n0.638433 0.033599 0.671891 O\n0.944529 0.372112 0.335051 O\n0.571499 0.574732 0.632788 F\n0.893849 0.890165 0.299234 F\n0.103581 0.102876 0.699010 F\n0.706648 0.300101 0.993352 F\n",
"nsites": 18,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.207843547671418,
"density_atomic": 0.08949965234605874,
"volume": 201.11809965921793,
"volume_molar": 6.728675030730658,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy": -150.30481650000002,
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"updated_at": "2021-11-28T01:34:58.592000Z",
"spacegroup": 1
},
{
"id": "mp-1175753",
"created_at": "2022-09-04T14:40:22.202788Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.925382 0.000000 0.000000\n2.707585 7.147030 0.000000\n2.777537 2.405319 6.791897\nLi Mn Co O\n9 2 5 16\ndirect\n0.377391 0.618348 0.131847 Li\n0.234202 0.259436 0.252434 Li\n0.623943 0.375716 0.875721 Li\n0.498994 0.997973 0.003670 Li\n0.873952 0.128063 0.620979 Li\n0.753710 0.744671 0.757480 Li\n0.126143 0.875948 0.373222 Li\n0.006796 0.500532 0.487249 Li\n0.875198 0.620614 0.128688 Li\n0.004820 0.995315 0.003203 Mn\n0.245051 0.749370 0.753015 Mn\n0.752553 0.254071 0.246596 Co\n0.635075 0.868592 0.370862 Co\n0.507913 0.499723 0.492799 Co\n0.373992 0.133432 0.619250 Co\n0.113758 0.379748 0.881032 Co\n0.993851 0.768254 0.238280 O\n0.852759 0.371208 0.374163 O\n0.249796 0.506293 0.976142 O\n0.129437 0.119941 0.110461 O\n0.490949 0.253852 0.734290 O\n0.348184 0.876447 0.876328 O\n0.732071 0.016708 0.479537 O\n0.593504 0.638847 0.632078 O\n0.760117 0.475850 0.017010 O\n0.666089 0.113136 0.118578 O\n0.010637 0.240097 0.765936 O\n0.908299 0.873754 0.872242 O\n0.259074 0.990151 0.519218 O\n0.126837 0.631884 0.637176 O\n0.503298 0.747477 0.270465 O\n0.371609 0.374554 0.380042 O\n",
"nsites": 32,
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"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.174026718041298,
"density_atomic": 0.11125433142841971,
"volume": 287.62925082686405,
"volume_molar": 5.412949484914756,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.89804959,
"energy_per_atom": -6.5280640496875,
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"spacegroup": 1
},
{
"id": "mp-1246794",
"created_at": "2022-09-04T14:48:28.595507Z",
"structure_string": "Mg1 Cr4 S8\n1.0\n6.094111 -0.001568 3.514609\n2.029833 5.742908 3.514720\n-0.006836 -0.004703 7.041060\nMg Cr S\n1 4 8\ndirect\n0.124960 0.125147 0.124515 Mg\n0.508347 0.508669 0.507343 Cr\n0.507707 0.507842 0.977011 Cr\n0.976396 0.507509 0.507726 Cr\n0.507558 0.976019 0.507780 Cr\n0.744436 0.744251 0.744476 S\n0.264727 0.264601 0.706467 S\n0.264332 0.706698 0.264791 S\n0.706592 0.264317 0.264860 S\n0.744428 0.266560 0.744714 S\n0.266298 0.744449 0.744837 S\n0.264364 0.264218 0.264492 S\n0.744870 0.744714 0.265971 S\n",
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"elements": [
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"S"
],
"chemical_system": "Cr-Mg-S",
"density": 3.290845020277818,
"density_atomic": 0.05270625221159566,
"volume": 246.6500548703391,
"volume_molar": 11.425856529930044,
"formula_full": "Mg1 Cr4 S8",
"formula_reduced": "Mg(CrS2)4",
"formula_anonymous": "AB4C8",
"energy": -86.84001234,
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},
{
"id": "mp-1176033",
"created_at": "2022-09-04T14:39:43.773062Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.948878 0.000000 0.000000\n-0.413195 10.157147 0.000000\n-0.923992 -4.355260 9.654791\nLi Mn Co O\n9 2 5 16\ndirect\n0.130620 0.935999 0.250459 Li\n0.880030 0.062069 0.753812 Li\n0.619800 0.195198 0.255361 Li\n0.628366 0.687994 0.251905 Li\n0.372739 0.809317 0.746047 Li\n0.134468 0.441251 0.252744 Li\n0.868012 0.553761 0.739906 Li\n0.359153 0.317333 0.743693 Li\n0.268032 0.377880 0.509652 Li\n0.002362 0.000219 0.000837 Mn\n0.744710 0.130982 0.501172 Mn\n0.495101 0.250172 0.998385 Co\n0.998818 0.499832 0.999077 Co\n0.753599 0.614324 0.496984 Co\n0.503864 0.750482 0.001916 Co\n0.238919 0.871839 0.497288 Co\n0.600793 0.966756 0.120737 O\n0.274185 0.085441 0.605307 O\n0.071549 0.215101 0.117497 O\n0.066346 0.717203 0.116112 O\n0.831043 0.829884 0.607064 O\n0.565470 0.467908 0.114716 O\n0.343513 0.599082 0.615567 O\n0.813069 0.324360 0.617747 O\n0.652038 0.913140 0.387892 O\n0.403152 0.033284 0.878916 O\n0.211641 0.152288 0.390335 O\n0.175273 0.664573 0.387726 O\n0.937593 0.786246 0.886360 O\n0.692875 0.431823 0.384961 O\n0.430529 0.533090 0.884122 O\n0.932341 0.281171 0.885701 O\n",
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"elements": [
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"formula_full": "Li9 Mn2 Co5 O16",
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"energy": -208.02294846,
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"spacegroup": 1
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{
"id": "mp-1100654",
"created_at": "2022-09-04T14:40:21.399855Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.461650 9.750254 0.000000\n-1.461650 9.750254 0.000000\n0.000000 0.976178 10.181372\nLi Mn Co O\n9 2 5 16\ndirect\n0.370732 0.370732 0.938291 Li\n0.127776 0.127776 0.807570 Li\n0.876465 0.876465 0.680923 Li\n0.622364 0.622364 0.551086 Li\n0.380060 0.380060 0.435110 Li\n0.125386 0.125386 0.317955 Li\n0.876025 0.876025 0.196687 Li\n0.625256 0.625256 0.067671 Li\n0.997978 0.997978 0.500784 Li\n0.999486 0.999486 0.001105 Mn\n0.498667 0.498667 0.742020 Mn\n0.749121 0.749121 0.874948 Co\n0.250238 0.250238 0.624896 Co\n0.750566 0.750566 0.375365 Co\n0.504006 0.504006 0.273488 Co\n0.250020 0.250020 0.124891 Co\n0.443468 0.443468 0.075451 O\n0.191537 0.191537 0.964661 O\n0.946669 0.946669 0.841419 O\n0.691684 0.691684 0.714835 O\n0.442098 0.442098 0.612491 O\n0.193335 0.193335 0.465652 O\n0.940457 0.940457 0.336719 O\n0.693359 0.693359 0.213509 O\n0.306363 0.306363 0.786923 O\n0.055596 0.055596 0.671000 O\n0.807120 0.807120 0.536130 O\n0.563261 0.563261 0.396495 O\n0.306901 0.306901 0.284492 O\n0.053347 0.053347 0.143682 O\n0.807711 0.807711 0.034317 O\n0.552949 0.552949 0.909438 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-1210937",
"created_at": "2022-09-04T14:45:07.015859Z",
"structure_string": "Mg2 Cr2 H6 C4 O12\n1.0\n6.856362 -0.474326 1.698639\n1.676831 6.602150 1.010785\n0.205638 -0.011941 7.992342\nMg Cr H C O\n2 2 6 4 12\ndirect\n0.435034 0.330418 0.333159 Mg\n0.564966 0.669582 0.666841 Mg\n0.125922 0.639521 0.003405 Cr\n0.874078 0.360479 0.996595 Cr\n0.141095 0.690940 0.412957 H\n0.858905 0.309060 0.587043 H\n0.723650 0.069132 0.345242 H\n0.276350 0.930868 0.654758 H\n0.270219 0.800882 0.997618 H\n0.729781 0.199118 0.002382 H\n0.279442 0.396652 0.722842 C\n0.720558 0.603348 0.277158 C\n0.183572 0.247412 0.209977 C\n0.816428 0.752588 0.790023 C\n0.121651 0.328154 0.803056 O\n0.878349 0.671846 0.196944 O\n0.245082 0.426705 0.167721 O\n0.754918 0.573295 0.832279 O\n0.391291 0.336908 0.581238 O\n0.608709 0.663092 0.418762 O\n0.039128 0.211140 0.158956 O\n0.960872 0.788860 0.841044 O\n0.280632 0.123533 0.306166 O\n0.719368 0.876467 0.693834 O\n0.667503 0.463188 0.208683 O\n0.332497 0.536812 0.791317 O\n",
"nsites": 26,
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],
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"formula_full": "Mg2 Cr2 H6 C4 O12",
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"energy": -169.93595769,
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{
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"structure_string": "V8 O6 F18\n1.0\n5.241734 0.000000 0.000000\n-2.578873 -4.728714 0.000000\n-2.389306 1.265931 -17.324529\nV O F\n8 6 18\ndirect\n0.743157 0.371705 0.125302 V\n0.754166 0.890040 0.630256 V\n0.507880 0.726587 0.249265 V\n0.517340 0.250128 0.750514 V\n0.247576 0.100508 0.381905 V\n0.216220 0.610029 0.872608 V\n0.975856 0.013288 0.001455 V\n0.022246 0.494420 0.495955 V\n0.841341 0.197735 0.041623 O\n0.165991 0.312218 0.456862 O\n0.859848 0.424142 0.832858 O\n0.648657 0.550127 0.208093 O\n0.672794 0.040666 0.701955 O\n0.206693 0.831128 0.438136 O\n0.324177 0.152180 0.083902 F\n0.774327 0.676359 0.059374 F\n0.789042 0.186362 0.559747 F\n0.708627 0.067609 0.191022 F\n0.331419 0.952168 0.291656 F\n0.333006 0.664213 0.585096 F\n0.350779 0.473219 0.789680 F\n0.161648 0.593104 0.166847 F\n0.175245 0.089253 0.663620 F\n0.281223 0.422984 0.314196 F\n0.728040 0.567972 0.686870 F\n0.825528 0.915281 0.337206 F\n0.834875 0.703617 0.543789 F\n0.163672 0.792307 0.960811 F\n0.672062 0.343749 0.414196 F\n0.290082 0.947727 0.815059 F\n0.218565 0.310088 0.936732 F\n0.657913 0.829084 0.913416 F\n",
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"formula_full": "V8 O6 F18",
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{
"id": "mp-33889",
"created_at": "2022-09-04T14:48:11.390991Z",
"structure_string": "Tm4 Mn2 S8\n1.0\n-4.043839 4.043839 4.216463\n4.043839 -4.043839 4.216463\n4.043839 4.043839 -4.216463\nTm Mn S\n4 2 8\ndirect\n0.875000 0.488134 0.113134 Tm\n0.238134 0.125000 0.613134 Tm\n0.375000 0.761866 0.886866 Tm\n0.511866 0.625000 0.386866 Tm\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.634215 0.000697 0.765902 S\n0.618313 0.484795 0.734098 S\n0.515205 0.249303 0.133518 S\n0.131687 0.365785 0.366482 S\n0.750697 0.884215 0.265902 S\n0.115785 0.381687 0.866482 S\n0.999303 0.765205 0.633518 S\n0.234795 0.868313 0.234098 S\n",
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{
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"structure_string": "Li8 Fe2 Te2 W4 O24\n1.0\n5.492750 -0.013251 -0.003770\n0.589424 9.162020 -0.003911\n0.597634 3.268477 8.574470\nLi Fe Te W O\n8 2 2 4 24\ndirect\n0.588774 0.623227 0.633479 Li\n0.593511 0.146695 0.130662 Li\n0.048315 0.147829 0.658537 Li\n0.066153 0.651443 0.151160 Li\n0.599697 0.893473 0.906057 Li\n0.586278 0.408186 0.402087 Li\n0.946170 0.354490 0.857173 Li\n0.961917 0.863500 0.350156 Li\n0.014138 0.504659 0.497457 Fe\n0.014886 0.999836 0.001052 Fe\n0.523088 0.003964 0.506881 Te\n0.497100 0.501525 0.004800 Te\n0.016775 0.741455 0.751851 W\n0.007698 0.252733 0.256998 W\n0.498766 0.252053 0.752290 W\n0.501969 0.760824 0.245466 W\n0.830540 0.866894 0.559629 O\n0.787561 0.365423 0.060776 O\n0.986752 0.920250 0.810858 O\n0.982249 0.438866 0.301452 O\n0.188528 0.185239 0.860451 O\n0.194932 0.689764 0.361093 O\n0.314528 0.773380 0.648030 O\n0.307280 0.312484 0.122383 O\n0.313895 0.371467 0.571437 O\n0.312688 0.864525 0.063236 O\n0.509153 0.061391 0.699517 O\n0.484448 0.557289 0.187490 O\n0.490813 0.438579 0.820413 O\n0.514696 0.942230 0.293722 O\n0.689253 0.132656 0.926667 O\n0.684123 0.628313 0.419948 O\n0.678537 0.682385 0.880059 O\n0.677451 0.199036 0.367910 O\n0.792111 0.322171 0.625094 O\n0.801049 0.815097 0.118629 O\n0.961605 0.566302 0.689891 O\n0.989316 0.078169 0.185577 O\n0.176832 0.612324 0.949326 O\n0.151224 0.141077 0.441503 O\n",
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}