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{
"count": 146323,
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"results": [
{
"id": "mp-1392236",
"created_at": "2022-09-04T14:42:07.497646Z",
"structure_string": "Mg2 V2 P2 O10\n1.0\n5.306659 0.000000 0.000000\n-1.062258 5.346935 0.000000\n-1.762739 -2.272304 6.435445\nMg V P O\n2 2 2 10\ndirect\n0.784149 0.634285 0.237251 Mg\n0.175453 0.325508 0.707247 Mg\n0.500335 0.004055 0.494352 V\n0.502062 0.996880 0.993106 V\n0.171038 0.353799 0.251828 P\n0.837839 0.659301 0.738694 P\n0.391238 0.342280 0.143883 O\n0.188371 0.180363 0.394516 O\n0.630969 0.664672 0.859233 O\n0.823659 0.850982 0.611200 O\n0.789868 0.370934 0.590275 O\n0.130352 0.709718 0.884936 O\n0.197697 0.644108 0.383359 O\n0.882100 0.278434 0.093261 O\n0.409642 0.098610 0.748194 O\n0.598506 0.907869 0.243165 O\n",
"nsites": 16,
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"elements": [
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"V",
"P",
"O"
],
"chemical_system": "Mg-O-P-V",
"density": 3.3868375102423416,
"density_atomic": 0.08762243416499485,
"volume": 182.60163795349112,
"volume_molar": 6.872829792265512,
"formula_full": "Mg2 V2 P2 O10",
"formula_reduced": "MgVPO5",
"formula_anonymous": "ABCD5",
"energy": -123.99792531,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:39.633000Z",
"spacegroup": 1
},
{
"id": "mp-1035183",
"created_at": "2022-09-04T14:42:07.509931Z",
"structure_string": "Na1 La1 Mg14 O16\n1.0\n8.703751 0.000000 0.000000\n0.000000 8.832097 0.000000\n0.000000 0.000000 4.400167\nNa La Mg O\n1 1 14 16\ndirect\n0.000000 0.500000 -0.000000 Na\n0.000000 0.000000 -0.000000 La\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.272674 0.500000 Mg\n0.000000 0.727326 0.500000 Mg\n0.500000 0.254492 0.500000 Mg\n0.500000 0.745508 0.500000 Mg\n0.266736 0.000000 0.500000 Mg\n0.249131 0.500000 0.500000 Mg\n0.733264 0.000000 0.500000 Mg\n0.750869 0.500000 0.500000 Mg\n0.256806 0.263283 0.000000 Mg\n0.256806 0.736717 0.000000 Mg\n0.743194 0.263283 -0.000000 Mg\n0.743194 0.736717 -0.000000 Mg\n0.271022 0.000000 -0.000000 O\n0.267650 0.500000 -0.000000 O\n0.728978 0.000000 0.000000 O\n0.732350 0.500000 0.000000 O\n0.249560 0.248469 0.500000 O\n0.249560 0.751531 0.500000 O\n0.750440 0.248469 0.500000 O\n0.750440 0.751531 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.258362 -0.000000 O\n0.000000 0.741638 -0.000000 O\n0.500000 0.250315 -0.000000 O\n0.500000 0.749685 -0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Na",
"La",
"Mg",
"O"
],
"chemical_system": "La-Mg-Na-O",
"density": 3.7219284437385904,
"density_atomic": 0.0946042246032681,
"volume": 338.25127930803376,
"volume_molar": 6.365615050759546,
"formula_full": "Na1 La1 Mg14 O16",
"formula_reduced": "NaLaMg14O16",
"formula_anonymous": "ABC14D16",
"energy": -201.4504632,
"energy_per_atom": -6.295326975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.4584632,
"band_gap": 5.0292,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.844000Z",
"spacegroup": 47
},
{
"id": "mp-1650669",
"created_at": "2022-09-04T14:42:07.511378Z",
"structure_string": "Li14 Mn10 O24\n1.0\n2.549477 5.334319 -1.316092\n0.053022 -0.331193 7.806992\n8.161008 -5.225922 -3.073603\nLi Mn O\n14 10 24\ndirect\n0.562929 0.347001 0.265930 Li\n0.103918 0.319519 0.734093 Li\n0.086878 0.340068 0.254339 Li\n0.579931 0.326712 0.745557 Li\n0.833323 0.333322 0.999933 Li\n0.333438 0.333197 0.499979 Li\n0.421730 0.664631 0.251822 Li\n0.923603 0.662385 0.743131 Li\n0.743182 0.004222 0.256805 Li\n0.245024 0.001991 0.748131 Li\n0.904968 0.676514 0.258213 Li\n0.437302 0.640077 0.729056 Li\n0.229379 0.026566 0.270906 Li\n0.761806 0.990066 0.741694 Li\n0.833491 0.333300 0.500066 Mn\n0.333278 0.333384 0.999986 Mn\n0.993839 0.004852 0.002372 Mn\n0.491900 0.006836 0.503815 Mn\n0.174945 0.659787 0.496235 Mn\n0.672653 0.661894 0.997540 Mn\n0.503187 0.004042 0.999474 Mn\n0.999149 0.005093 0.504206 Mn\n0.163455 0.662844 0.000470 Mn\n0.667235 0.661313 0.495745 Mn\n0.154021 0.488321 0.101569 O\n0.651523 0.488576 0.606147 O\n0.015230 0.178003 0.393884 O\n0.512490 0.178432 0.898376 O\n0.943904 0.835381 0.117056 O\n0.447808 0.833418 0.619142 O\n0.218986 0.833202 0.380940 O\n0.722468 0.831475 0.882937 O\n0.614415 0.502485 0.112362 O\n0.112622 0.501655 0.617502 O\n0.554213 0.164981 0.382662 O\n0.052024 0.164308 0.887612 O\n0.472493 0.812568 0.097119 O\n0.944335 0.834616 0.617312 O\n0.722309 0.831991 0.382919 O\n0.193930 0.854168 0.902941 O\n0.272404 0.171977 0.119543 O\n0.775542 0.176822 0.621004 O\n0.891468 0.490015 0.379069 O\n0.394155 0.494666 0.880430 O\n0.801435 0.138018 0.103427 O\n0.274564 0.158881 0.620940 O\n0.392083 0.507707 0.379049 O\n0.865034 0.528717 0.896556 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.852847688905365,
"density_atomic": 0.10807098410561125,
"volume": 444.1525206533929,
"volume_molar": 5.572393746424041,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.57035927,
"energy_per_atom": -7.074382484791666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -306.40235927,
"band_gap": 0.5268999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0042298,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.770000Z",
"spacegroup": 2
},
{
"id": "mp-1183891",
"created_at": "2022-09-04T14:42:07.516399Z",
"structure_string": "Eu2 Ag1 Au1\n1.0\n0.000000 3.819712 3.819712\n3.819712 0.000000 3.819712\n3.819712 3.819712 0.000000\nEu Ag Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Eu",
"density": 9.069332586015557,
"density_atomic": 0.03588708129495671,
"volume": 111.4607222338287,
"volume_molar": 16.780803962584454,
"formula_full": "Eu2 Ag1 Au1",
"formula_reduced": "Eu2AgAu",
"formula_anonymous": "ABC2",
"energy": -28.83054132,
"energy_per_atom": -7.20763533,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -28.83054132,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.654258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.823000Z",
"spacegroup": 225
},
{
"id": "mp-1021288",
"created_at": "2022-09-04T14:42:07.482415Z",
"structure_string": "Rb2 La2 Mg12\n1.0\n5.382870 0.000000 0.000000\n0.000000 7.291656 0.000000\n0.000000 0.000000 12.306526\nRb La Mg\n2 2 12\ndirect\n0.500000 0.500000 0.831047 Rb\n0.500000 0.000000 0.331047 Rb\n0.500000 0.500000 0.339208 La\n0.500000 0.000000 0.839208 La\n0.500000 0.258317 0.080338 Mg\n0.500000 0.741683 0.080338 Mg\n0.000000 0.230491 0.934129 Mg\n0.000000 0.769509 0.934129 Mg\n0.000000 0.500000 0.159430 Mg\n0.000000 0.500000 0.641386 Mg\n0.500000 0.758317 0.580338 Mg\n0.500000 0.241683 0.580338 Mg\n0.000000 0.730491 0.434129 Mg\n0.000000 0.269509 0.434129 Mg\n0.000000 0.000000 0.659430 Mg\n0.000000 0.000000 0.141386 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"La",
"Mg"
],
"chemical_system": "La-Mg-Rb",
"density": 2.545328304807215,
"density_atomic": 0.03312412737414961,
"volume": 483.03159262956325,
"volume_molar": 18.180526514638803,
"formula_full": "Rb2 La2 Mg12",
"formula_reduced": "RbLaMg6",
"formula_anonymous": "ABC6",
"energy": -27.4898012,
"energy_per_atom": -1.718112575,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -27.4898012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.894000Z",
"spacegroup": 38
},
{
"id": "mp-677490",
"created_at": "2022-09-04T14:42:07.482782Z",
"structure_string": "Li16 Nd12 Sb4 Te4 O48\n1.0\n11.049111 0.000000 0.000000\n-3.701932 10.452695 0.000000\n-3.680197 -5.125354 9.120965\nLi Nd Sb Te O\n16 12 4 4 48\ndirect\n0.129948 0.755538 0.881003 Li\n0.127483 0.871881 0.248179 Li\n0.248221 0.126846 0.872811 Li\n0.280339 0.642823 0.391756 Li\n0.365582 0.643601 0.752839 Li\n0.406629 0.451130 0.698324 Li\n0.368496 0.220856 0.611828 Li\n0.607896 0.723782 0.354281 Li\n0.751431 0.874841 0.129056 Li\n0.627815 0.374410 0.250999 Li\n0.747080 0.375712 0.621599 Li\n0.893912 0.140622 0.753664 Li\n0.743616 0.946372 0.543625 Li\n0.838868 0.210253 0.133528 Li\n0.050099 0.449143 0.250541 Li\n0.898075 0.204617 0.958646 Li\n0.259758 0.881576 0.630122 Nd\n0.129929 0.378401 0.755429 Nd\n0.130758 0.250237 0.376610 Nd\n0.618263 0.872722 0.749072 Nd\n0.268089 0.381282 0.131428 Nd\n0.386109 0.761455 0.127956 Nd\n0.617689 0.251697 0.878712 Nd\n0.380251 0.122613 0.247613 Nd\n0.753790 0.628524 0.877095 Nd\n0.875251 0.746305 0.626412 Nd\n0.741984 0.126063 0.367678 Nd\n0.864729 0.634590 0.251619 Nd\n0.502911 0.000156 0.498678 Sb\n0.503637 0.505122 0.502349 Sb\n0.499072 0.496881 0.995281 Sb\n0.496827 0.001097 0.996562 Sb\n0.003417 0.003957 0.005222 Te\n0.004040 0.005260 0.501946 Te\n0.004795 0.506768 0.505834 Te\n0.001608 0.500812 0.001314 Te\n0.092770 0.976902 0.667526 O\n0.025312 0.330088 0.909760 O\n0.125262 0.597048 0.934226 O\n0.079260 0.693101 0.673656 O\n0.072770 0.886749 0.403400 O\n0.098188 0.617795 0.423589 O\n0.172891 0.478951 0.597289 O\n0.414947 0.832400 0.797859 O\n0.300152 0.327071 0.918309 O\n0.379163 0.565540 0.883648 O\n0.174612 0.197649 0.581345 O\n0.015629 0.194899 0.120227 O\n0.329712 0.918506 0.300667 O\n0.178506 0.560036 0.176385 O\n0.414118 0.832356 0.532664 O\n0.301029 0.474864 0.378546 O\n0.328142 0.911218 0.029312 O\n0.120702 0.028138 0.196949 O\n0.405548 0.083641 0.880659 O\n0.524752 0.622116 0.701578 O\n0.525250 0.405991 0.820899 O\n0.382062 0.319572 0.498890 O\n0.193338 0.122846 0.027119 O\n0.584564 0.905682 0.376892 O\n0.431813 0.091251 0.627785 O\n0.813784 0.885225 0.983325 O\n0.625882 0.706292 0.527631 O\n0.465801 0.589964 0.161417 O\n0.476181 0.379065 0.307286 O\n0.593961 0.922121 0.116576 O\n0.888604 0.002107 0.825573 O\n0.668777 0.087281 0.960277 O\n0.703970 0.534908 0.626244 O\n0.592355 0.172083 0.469492 O\n0.813918 0.428252 0.833346 O\n0.687772 0.064978 0.679896 O\n0.981113 0.815996 0.883606 O\n0.826460 0.819110 0.431813 O\n0.698464 0.671767 0.077964 O\n0.623835 0.422212 0.092504 O\n0.586011 0.174274 0.196479 O\n0.836145 0.533562 0.411491 O\n0.905378 0.381984 0.570246 O\n0.923235 0.115741 0.594333 O\n0.939980 0.325605 0.331545 O\n0.884192 0.383211 0.065631 O\n0.974202 0.662812 0.099096 O\n0.910592 0.032794 0.336240 O\n",
"nsites": 84,
"nelements": 5,
"elements": [
"Li",
"Nd",
"Sb",
"Te",
"O"
],
"chemical_system": "Li-Nd-O-Sb-Te",
"density": 5.686480145683469,
"density_atomic": 0.07974122113519051,
"volume": 1053.407494946551,
"volume_molar": 7.552105014532284,
"formula_full": "Li16 Nd12 Sb4 Te4 O48",
"formula_reduced": "Li4Nd3SbTeO12",
"formula_anonymous": "ABC3D4E12",
"energy": -584.26293999,
"energy_per_atom": -6.955511190357142,
"energy_above_hull": null,
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"energy_uncorrected": -551.28693999,
"band_gap": 2.9443,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.530000Z",
"spacegroup": 1
},
{
"id": "mp-684881",
"created_at": "2022-09-04T14:42:07.490936Z",
"structure_string": "Mn27 Sb26\n1.0\n9.955258 0.000000 0.000000\n-1.715037 10.635475 0.000000\n-4.629754 -4.664274 10.006698\nMn Sb\n27 26\ndirect\n0.002439 0.999410 0.998673 Mn\n0.461600 0.076165 0.230422 Mn\n0.501249 0.998481 0.999334 Mn\n0.923337 0.153179 0.461231 Mn\n0.960751 0.076862 0.227212 Mn\n0.421656 0.152660 0.460491 Mn\n0.384244 0.229895 0.693226 Mn\n0.848324 0.315427 0.926331 Mn\n0.885842 0.234229 0.691146 Mn\n0.309630 0.384959 0.154285 Mn\n0.348587 0.306805 0.923390 Mn\n0.808204 0.384316 0.154649 Mn\n0.767662 0.462900 0.385411 Mn\n0.226806 0.536791 0.614847 Mn\n0.265128 0.457961 0.380735 Mn\n0.691516 0.612715 0.843571 Mn\n0.729667 0.536906 0.616436 Mn\n0.156176 0.689999 0.080854 Mn\n0.194869 0.613649 0.845035 Mn\n0.617849 0.769729 0.309369 Mn\n0.652298 0.694361 0.075274 Mn\n0.073671 0.846524 0.538194 Mn\n0.116954 0.769123 0.309206 Mn\n0.534802 0.919950 0.765772 Mn\n0.576941 0.848879 0.541385 Mn\n0.763970 0.809762 0.757327 Mn\n0.038500 0.925502 0.772814 Mn\n0.647225 0.040162 0.449137 Sb\n0.817420 0.057487 0.784987 Sb\n0.108576 0.117061 0.679921 Sb\n0.277052 0.114446 0.013386 Sb\n0.572290 0.192621 0.910243 Sb\n0.738031 0.190834 0.244324 Sb\n0.032260 0.270549 0.138313 Sb\n0.198218 0.265968 0.473964 Sb\n0.492955 0.346329 0.371753 Sb\n0.658145 0.344004 0.703681 Sb\n0.953845 0.423384 0.601356 Sb\n0.125392 0.421624 0.935920 Sb\n0.416749 0.499872 0.831543 Sb\n0.583915 0.498630 0.165585 Sb\n0.876926 0.580782 0.065466 Sb\n0.043608 0.575596 0.397263 Sb\n0.342720 0.655655 0.297631 Sb\n0.489132 0.641453 0.619103 Sb\n0.800088 0.734764 0.532236 Sb\n0.980841 0.722797 0.865977 Sb\n0.260031 0.808997 0.755848 Sb\n0.428753 0.806046 0.090435 Sb\n0.725092 0.883672 0.980542 Sb\n0.892593 0.885212 0.320730 Sb\n0.185780 0.962008 0.218296 Sb\n0.352510 0.960600 0.552148 Sb\n",
"nsites": 53,
"nelements": 2,
"elements": [
"Mn",
"Sb"
],
"chemical_system": "Mn-Sb",
"density": 7.286460033331779,
"density_atomic": 0.05002368325830862,
"volume": 1059.4981526314746,
"volume_molar": 12.038579264352272,
"formula_full": "Mn27 Sb26",
"formula_reduced": "Mn27Sb26",
"formula_anonymous": "A26B27",
"energy": -360.62591942,
"energy_per_atom": -6.804262630566038,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:32.107000Z",
"spacegroup": 1
},
{
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