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{
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"results": [
{
"id": "mp-25857",
"created_at": "2022-09-04T14:39:45.267886Z",
"structure_string": "Li8 Mn10 P12 O44\n1.0\n6.690117 0.000000 0.000000\n0.000000 10.999208 0.000000\n0.000000 2.931232 12.449667\nLi Mn P O\n8 10 12 44\ndirect\n0.845770 0.431840 0.185671 Li\n0.654230 0.931840 0.185671 Li\n0.472881 0.113317 0.334841 Li\n0.027119 0.613317 0.334841 Li\n0.972881 0.386683 0.665159 Li\n0.527119 0.886683 0.665159 Li\n0.345770 0.068160 0.814329 Li\n0.154230 0.568160 0.814329 Li\n0.500000 0.500000 0.000000 Mn\n0.244783 0.218438 0.131904 Mn\n0.000000 0.000000 0.000000 Mn\n0.255217 0.718438 0.131904 Mn\n0.006557 0.197872 0.346684 Mn\n0.493443 0.697872 0.346684 Mn\n0.506557 0.302128 0.653316 Mn\n0.993443 0.802128 0.653316 Mn\n0.744783 0.281562 0.868096 Mn\n0.755217 0.781562 0.868096 Mn\n0.736793 0.221065 0.095115 P\n0.763207 0.721065 0.095115 P\n0.392642 0.431364 0.267326 P\n0.107358 0.931364 0.267326 P\n0.723364 0.423566 0.418034 P\n0.776636 0.923566 0.418034 P\n0.223364 0.076434 0.581966 P\n0.276636 0.576434 0.581966 P\n0.892642 0.068636 0.732674 P\n0.607358 0.568636 0.732674 P\n0.236793 0.278935 0.904885 P\n0.263207 0.778935 0.904885 P\n0.774009 0.132133 0.017791 O\n0.702367 0.349362 0.013499 O\n0.725991 0.632133 0.017791 O\n0.797633 0.849362 0.013499 O\n0.557015 0.170805 0.168459 O\n0.918456 0.241901 0.166068 O\n0.552125 0.452413 0.180215 O\n0.214948 0.054081 0.272140 O\n0.942985 0.670805 0.168459 O\n0.581544 0.741901 0.166068 O\n0.249165 0.325594 0.257664 O\n0.947875 0.952413 0.180215 O\n0.285052 0.554081 0.272140 O\n0.765079 0.067344 0.390974 O\n0.250835 0.825594 0.257664 O\n0.876121 0.373689 0.348371 O\n0.501683 0.382849 0.383095 O\n0.237321 0.137456 0.462897 O\n0.734921 0.567344 0.390974 O\n0.623879 0.873689 0.348371 O\n0.998317 0.882849 0.383095 O\n0.262679 0.637456 0.462897 O\n0.737321 0.362544 0.537103 O\n0.001683 0.117151 0.616905 O\n0.376121 0.126311 0.651629 O\n0.265079 0.432656 0.609026 O\n0.762679 0.862544 0.537103 O\n0.498317 0.617151 0.616905 O\n0.123879 0.626311 0.651629 O\n0.749165 0.174406 0.742336 O\n0.234921 0.932656 0.609026 O\n0.714948 0.445919 0.727860 O\n0.052125 0.047587 0.819785 O\n0.750835 0.674406 0.742336 O\n0.418456 0.258099 0.833932 O\n0.057015 0.329195 0.831541 O\n0.785052 0.945919 0.727860 O\n0.447875 0.547587 0.819785 O\n0.081544 0.758099 0.833932 O\n0.442985 0.829195 0.831541 O\n0.202367 0.150638 0.986501 O\n0.274009 0.367867 0.982209 O\n0.297633 0.650638 0.986501 O\n0.225991 0.867867 0.982209 O\n",
"nsites": 74,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.0461558265060473,
"density_atomic": 0.08077535152774859,
"volume": 916.1210517861867,
"volume_molar": 7.4554188203454945,
"formula_full": "Li8 Mn10 P12 O44",
"formula_reduced": "Li4Mn5(P3O11)2",
"formula_anonymous": "A4B5C6D22",
"energy": -581.8287735600001,
"energy_per_atom": -7.862550994054055,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -534.92077356,
"band_gap": 3.1011999999999995,
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"is_magnetic": true,
"total_magnetization": 50.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.273000Z",
"spacegroup": 14
},
{
"id": "mp-761187",
"created_at": "2022-09-04T14:46:17.102407Z",
"structure_string": "Li8 Cu10 P12 O44\n1.0\n6.759089 0.000000 0.000000\n0.000000 10.651328 0.000000\n0.000000 3.289296 11.888889\nLi Cu P O\n8 10 12 44\ndirect\n0.882058 0.447393 0.183170 Li\n0.617942 0.947393 0.183170 Li\n0.474759 0.122828 0.336404 Li\n0.025241 0.622828 0.336404 Li\n0.974759 0.377172 0.663596 Li\n0.525241 0.877172 0.663596 Li\n0.382058 0.052607 0.816830 Li\n0.117942 0.552607 0.816830 Li\n0.500000 0.500000 0.000000 Cu\n0.240440 0.213731 0.129387 Cu\n0.000000 0.000000 0.000000 Cu\n0.259560 0.713731 0.129387 Cu\n0.007646 0.200225 0.338639 Cu\n0.492354 0.700225 0.338639 Cu\n0.507646 0.299775 0.661361 Cu\n0.992354 0.799775 0.661361 Cu\n0.740440 0.286269 0.870613 Cu\n0.759560 0.786269 0.870613 Cu\n0.730526 0.228208 0.094460 P\n0.769474 0.728208 0.094460 P\n0.388198 0.430368 0.257082 P\n0.111802 0.930368 0.257082 P\n0.707127 0.420718 0.418463 P\n0.792873 0.920718 0.418463 P\n0.207127 0.079282 0.581537 P\n0.292873 0.579282 0.581537 P\n0.888198 0.069632 0.742918 P\n0.611802 0.569632 0.742918 P\n0.230526 0.271792 0.905540 P\n0.269474 0.771792 0.905540 P\n0.773148 0.145526 0.008728 O\n0.690021 0.361982 0.000906 O\n0.726852 0.645526 0.008728 O\n0.809979 0.861982 0.000906 O\n0.559717 0.163513 0.170379 O\n0.906520 0.254823 0.165585 O\n0.552346 0.453647 0.169100 O\n0.218897 0.055703 0.262999 O\n0.940283 0.663513 0.170379 O\n0.593480 0.754823 0.165585 O\n0.239613 0.325418 0.244037 O\n0.947654 0.953647 0.169100 O\n0.281103 0.555703 0.262999 O\n0.793564 0.071088 0.390327 O\n0.260387 0.825418 0.244037 O\n0.875491 0.381290 0.351297 O\n0.496562 0.371113 0.376881 O\n0.216742 0.147762 0.456450 O\n0.706436 0.571088 0.390327 O\n0.624509 0.881290 0.351297 O\n0.003438 0.871113 0.376881 O\n0.283258 0.647762 0.456450 O\n0.716742 0.352238 0.543550 O\n0.996562 0.128887 0.623119 O\n0.375491 0.118710 0.648703 O\n0.293564 0.428912 0.609673 O\n0.783258 0.852238 0.543550 O\n0.503438 0.628887 0.623119 O\n0.124509 0.618710 0.648703 O\n0.739613 0.174582 0.755963 O\n0.206436 0.928912 0.609673 O\n0.718897 0.444297 0.737001 O\n0.052346 0.046353 0.830900 O\n0.760387 0.674582 0.755963 O\n0.406520 0.245177 0.834415 O\n0.059717 0.336487 0.829621 O\n0.781103 0.944297 0.737001 O\n0.447654 0.546353 0.830900 O\n0.093480 0.745177 0.834415 O\n0.440283 0.836487 0.829621 O\n0.190021 0.138018 0.999094 O\n0.273148 0.354474 0.991272 O\n0.309979 0.638018 0.999094 O\n0.226852 0.854474 0.991272 O\n",
"nsites": 74,
"nelements": 4,
"elements": [
"Li",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Li-O-P",
"density": 3.427406521669458,
"density_atomic": 0.08645667391303077,
"volume": 855.9200423837575,
"volume_molar": 6.965501316946154,
"formula_full": "Li8 Cu10 P12 O44",
"formula_reduced": "Li4Cu5(P3O11)2",
"formula_anonymous": "A4B5C6D22",
"energy": -499.89313653,
"energy_per_atom": -6.755312655810811,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -469.66513653,
"band_gap": 0.0522,
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"is_magnetic": true,
"total_magnetization": 5.9224572,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.830000Z",
"spacegroup": 14
},
{
"id": "mp-849656",
"created_at": "2022-09-04T14:40:12.134489Z",
"structure_string": "Li5 Co4 Si6 O20\n1.0\n5.341272 0.000000 0.000000\n-2.645188 4.722654 0.000000\n-0.056569 -1.406998 16.993013\nLi Co Si O\n5 4 6 20\ndirect\n0.157801 0.593954 0.761261 Li\n0.172032 0.508144 0.446242 Li\n0.819409 0.494180 0.551777 Li\n0.836919 0.394635 0.249571 Li\n0.663967 0.498721 0.045952 Li\n0.173110 0.175654 0.581417 Co\n0.013231 0.185610 0.082673 Co\n0.009361 0.824948 0.911910 Co\n0.812748 0.808670 0.408778 Co\n0.862075 0.001715 0.748777 Si\n0.510501 0.841886 0.602015 Si\n0.700292 0.173417 0.901965 Si\n0.328644 0.839941 0.098295 Si\n0.471335 0.154217 0.403814 Si\n0.142124 0.999051 0.249922 Si\n0.099849 0.215498 0.691646 O\n0.045964 0.187421 0.198687 O\n0.543577 0.821086 0.698604 O\n0.796032 0.854992 0.561198 O\n0.219060 0.556803 0.566872 O\n0.376421 0.901773 0.897308 O\n0.911397 0.099347 0.954484 O\n0.329128 0.543732 0.069505 O\n0.474470 0.859072 0.413088 O\n0.833484 0.227871 0.813545 O\n0.239773 0.809107 0.190121 O\n0.496068 0.133975 0.588512 O\n0.712527 0.467157 0.935524 O\n0.069656 0.862630 0.051656 O\n0.632602 0.131811 0.088669 O\n0.770991 0.434426 0.437403 O\n0.192835 0.148903 0.449486 O\n0.436000 0.200207 0.308113 O\n0.935454 0.792625 0.795100 O\n0.892082 0.766111 0.298162 O\n",
"nsites": 35,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.940049411418596,
"density_atomic": 0.08165200085127802,
"volume": 428.64840585779933,
"volume_molar": 7.375374390357932,
"formula_full": "Li5 Co4 Si6 O20",
"formula_reduced": "Li5Co4(Si3O10)2",
"formula_anonymous": "A4B5C6D20",
"energy": -257.04062184,
"energy_per_atom": -7.344017766857142,
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"energy_uncorrected": -236.74862184,
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"updated_at": "2021-11-28T01:34:48.830000Z",
"spacegroup": 1
},
{
"id": "mp-778120",
"created_at": "2022-09-04T14:46:13.095509Z",
"structure_string": "Li5 Mn4 Si6 O20\n1.0\n5.446057 0.015120 0.179028\n-2.635952 4.779498 -0.181727\n-2.059514 1.210241 16.184446\nLi Mn Si O\n5 4 6 20\ndirect\n0.406401 0.795808 0.771848 Li\n0.333024 0.840501 0.443839 Li\n0.666731 0.160442 0.556867 Li\n0.588204 0.195248 0.235885 Li\n0.853889 0.358600 0.049482 Li\n0.993172 0.799719 0.582014 Mn\n0.197894 0.011646 0.079334 Mn\n0.797683 0.979709 0.917281 Mn\n0.006706 0.205937 0.416870 Mn\n0.116722 0.120384 0.751252 Si\n0.331736 0.470758 0.598881 Si\n0.475058 0.321291 0.903505 Si\n0.517101 0.667361 0.095534 Si\n0.670980 0.531974 0.402501 Si\n0.882431 0.877969 0.248375 Si\n0.085362 0.876973 0.694518 O\n0.155575 0.956096 0.197204 O\n0.227353 0.422095 0.695004 O\n0.490906 0.629019 0.889304 O\n0.071473 0.210005 0.546777 O\n0.209171 0.121194 0.963022 O\n0.356399 0.774030 0.565824 O\n0.218271 0.653621 0.068617 O\n0.378385 0.543959 0.403738 O\n0.379292 0.160242 0.816211 O\n0.610302 0.817430 0.184752 O\n0.626230 0.462556 0.595791 O\n0.760727 0.317258 0.936807 O\n0.641325 0.226302 0.434434 O\n0.778334 0.896073 0.038151 O\n0.932398 0.790410 0.455024 O\n0.533640 0.370546 0.103795 O\n0.782987 0.582274 0.306916 O\n0.845049 0.054570 0.801135 O\n0.909283 0.124668 0.302758 O\n",
"nsites": 35,
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"elements": [
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"Mn",
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"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.9075611097237535,
"density_atomic": 0.08248660506016953,
"volume": 424.3113166612857,
"volume_molar": 7.3007499285577016,
"formula_full": "Li5 Mn4 Si6 O20",
"formula_reduced": "Li5Mn4(Si3O10)2",
"formula_anonymous": "A4B5C6D20",
"energy": -272.46109018,
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"updated_at": "2021-11-28T01:37:24.430000Z",
"spacegroup": 1
},
{
"id": "mp-1195975",
"created_at": "2022-09-04T14:41:05.140158Z",
"structure_string": "Mn10 P8 H12 O40\n1.0\n0.000000 9.186272 0.000000\n-0.264041 0.000000 9.321043\n8.729250 -4.593136 -1.215522\nMn P H O\n10 8 12 40\ndirect\n0.154850 0.883743 0.359198 Mn\n0.795652 0.616257 0.640802 Mn\n0.845150 0.116257 0.640802 Mn\n0.204348 0.383743 0.359198 Mn\n0.772046 0.823894 0.387141 Mn\n0.384905 0.676106 0.612859 Mn\n0.227954 0.176106 0.612859 Mn\n0.615095 0.323894 0.387141 Mn\n0.100072 0.750000 0.000000 Mn\n0.899928 0.250000 0.000000 Mn\n0.901773 0.137949 0.321344 P\n0.580429 0.362051 0.678655 P\n0.098227 0.862051 0.678655 P\n0.419571 0.637949 0.321344 P\n0.899875 0.605910 0.175339 P\n0.724536 0.894090 0.824661 P\n0.100125 0.394090 0.824661 P\n0.275464 0.105910 0.175339 P\n0.702376 0.488721 0.954577 H\n0.747799 0.011279 0.045423 H\n0.297624 0.511279 0.045423 H\n0.252201 0.988721 0.954577 H\n0.486644 0.778511 0.141503 H\n0.345141 0.721489 0.858497 H\n0.513356 0.221489 0.858497 H\n0.654859 0.278511 0.141503 H\n0.606295 0.852155 0.083997 H\n0.522297 0.647845 0.916003 H\n0.393705 0.147845 0.916003 H\n0.477702 0.352155 0.083997 H\n0.937471 0.973516 0.331081 O\n0.606390 0.526484 0.668919 O\n0.062529 0.026484 0.668919 O\n0.393610 0.473516 0.331081 O\n0.808797 0.161101 0.149795 O\n0.659002 0.338899 0.850205 O\n0.191203 0.838899 0.850205 O\n0.340998 0.661101 0.149795 O\n0.802013 0.181415 0.405617 O\n0.396396 0.318585 0.594383 O\n0.197987 0.818585 0.594383 O\n0.603604 0.681415 0.405617 O\n0.070998 0.229198 0.403591 O\n0.667406 0.270802 0.596409 O\n0.929002 0.770802 0.596409 O\n0.332594 0.729198 0.403591 O\n0.017264 0.723055 0.168045 O\n0.849219 0.776945 0.831955 O\n0.982736 0.276945 0.831955 O\n0.150781 0.223055 0.168045 O\n0.866525 0.662015 0.308515 O\n0.558010 0.837985 0.691485 O\n0.133475 0.337985 0.691485 O\n0.441990 0.162015 0.308515 O\n0.729122 0.589269 0.020976 O\n0.708147 0.910731 0.979024 O\n0.270878 0.410731 0.979024 O\n0.291853 0.089269 0.020976 O\n0.971803 0.455140 0.177512 O\n0.794291 0.044860 0.822488 O\n0.028197 0.544860 0.822488 O\n0.205709 0.955140 0.177512 O\n0.291613 0.034520 0.503858 O\n0.787755 0.465480 0.496142 O\n0.708387 0.965480 0.496142 O\n0.212245 0.534520 0.503858 O\n0.581100 0.849882 0.170182 O\n0.410918 0.650118 0.829818 O\n0.418900 0.150118 0.829818 O\n0.589082 0.349882 0.170182 O\n",
"nsites": 70,
"nelements": 4,
"elements": [
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Mn-O-P",
"density": 3.2324043215033225,
"density_atomic": 0.09402292586631872,
"volume": 744.4992735019289,
"volume_molar": 6.40497060106622,
"formula_full": "Mn10 P8 H12 O40",
"formula_reduced": "Mn5P4(H3O10)2",
"formula_anonymous": "A4B5C6D20",
"energy": -519.76852949,
"energy_per_atom": -7.425264707,
"energy_above_hull": null,
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"energy_uncorrected": -475.60852949,
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"updated_at": "2021-11-28T01:35:12.780000Z",
"spacegroup": 15
},
{
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},
{
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"created_at": "2022-09-04T14:41:04.651621Z",
"structure_string": "Yb5 Al17 Fe4 Si6\n1.0\n11.581658 0.000000 0.000000\n0.000000 11.581658 0.000000\n0.000000 0.000000 4.020913\nYb Al Fe Si\n5 17 4 6\ndirect\n0.258118 0.500000 0.000000 Yb\n0.741882 0.500000 0.000000 Yb\n0.500000 0.741882 0.000000 Yb\n0.500000 0.258118 0.000000 Yb\n0.000000 0.000000 0.000000 Yb\n0.202840 0.202840 0.000000 Al\n0.797160 0.797160 0.000000 Al\n0.202840 0.797160 0.000000 Al\n0.797160 0.202840 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.112365 0.372075 0.500000 Al\n0.887635 0.627925 0.500000 Al\n0.112365 0.627925 0.500000 Al\n0.887635 0.372075 0.500000 Al\n0.372075 0.887635 0.500000 Al\n0.627925 0.112365 0.500000 Al\n0.372075 0.112365 0.500000 Al\n0.627925 0.887635 0.500000 Al\n0.328972 0.328972 0.500000 Al\n0.671028 0.671028 0.500000 Al\n0.328972 0.671028 0.500000 Al\n0.671028 0.328972 0.500000 Al\n0.296168 0.000000 0.000000 Fe\n0.703832 0.000000 0.000000 Fe\n0.000000 0.703832 0.000000 Fe\n0.000000 0.296168 0.000000 Fe\n0.179975 0.000000 0.500000 Si\n0.820025 0.000000 0.500000 Si\n0.000000 0.820025 0.500000 Si\n0.000000 0.179975 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n",
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"chemical_system": "Al-Fe-Si-Yb",
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"formula_full": "Yb5 Al17 Fe4 Si6",
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"updated_at": "2021-11-28T01:35:23.320000Z",
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]
}