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{
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"results": [
{
"id": "mp-1200362",
"created_at": "2022-09-04T14:42:01.970254Z",
"structure_string": "Na10 P6 H56 O44\n1.0\n7.077683 0.000000 0.000000\n3.002194 11.806607 0.000000\n2.845551 1.929329 13.352495\nNa P H O\n10 6 56 44\ndirect\n0.136092 0.856978 0.504471 Na\n0.863908 0.143022 0.495529 Na\n0.814610 0.790902 0.677773 Na\n0.185390 0.209098 0.322227 Na\n0.911225 0.475887 0.788907 Na\n0.088775 0.524113 0.211093 Na\n0.691359 0.261683 0.784623 Na\n0.308641 0.738317 0.215377 Na\n0.618687 0.101131 0.002558 Na\n0.381313 0.898869 0.997442 Na\n0.305134 0.814962 0.725305 P\n0.694866 0.185038 0.274695 P\n0.262089 0.704135 0.874339 P\n0.737911 0.295865 0.125661 P\n0.370001 0.983031 0.740446 P\n0.629999 0.016969 0.259554 P\n0.011993 0.942389 0.318627 H\n0.988007 0.057611 0.681373 H\n0.241516 0.939915 0.302629 H\n0.758484 0.060085 0.697371 H\n0.568381 0.837009 0.423192 H\n0.431619 0.162991 0.576808 H\n0.508686 0.773304 0.534903 H\n0.491314 0.226696 0.465097 H\n0.911504 0.618949 0.566861 H\n0.088496 0.381051 0.433139 H\n0.004170 0.671862 0.460608 H\n0.995830 0.328138 0.539392 H\n0.748279 0.948284 0.457422 H\n0.251721 0.051716 0.542578 H\n0.680131 0.968740 0.573423 H\n0.319869 0.031260 0.426577 H\n0.885023 0.696070 0.867170 H\n0.114977 0.303930 0.132830 H\n0.663450 0.686263 0.870463 H\n0.336550 0.313737 0.129537 H\n0.630773 0.616001 0.659967 H\n0.369227 0.383999 0.340033 H\n0.694366 0.489827 0.629628 H\n0.305634 0.510173 0.370372 H\n0.247237 0.559595 0.738117 H\n0.752763 0.440405 0.261883 H\n0.184268 0.581537 0.627864 H\n0.815732 0.418463 0.372136 H\n0.505661 0.477056 0.869285 H\n0.494339 0.522944 0.130715 H\n0.599433 0.373972 0.947254 H\n0.400567 0.626028 0.052746 H\n0.055779 0.358436 0.976971 H\n0.944221 0.641564 0.023029 H\n0.177367 0.454420 0.915310 H\n0.822633 0.545580 0.084690 H\n0.175650 0.278208 0.678904 H\n0.824350 0.721792 0.321096 H\n0.006658 0.220757 0.682988 H\n0.993342 0.779243 0.317012 H\n0.548494 0.325402 0.594720 H\n0.451506 0.674598 0.405280 H\n0.429483 0.427289 0.654862 H\n0.570517 0.572711 0.345138 H\n0.354547 0.136586 0.858654 H\n0.645453 0.863414 0.141346 H\n0.306601 0.265263 0.882216 H\n0.693399 0.734737 0.117784 H\n0.938249 0.192134 0.959160 H\n0.061751 0.807866 0.040840 H\n0.032662 0.101772 0.884015 H\n0.967338 0.898228 0.115985 H\n0.174578 0.125366 0.083061 H\n0.825422 0.874634 0.916939 H\n0.321769 0.058292 0.156280 H\n0.678231 0.941708 0.843720 H\n0.296335 0.582627 0.846777 O\n0.703665 0.417373 0.153223 O\n0.416127 0.717539 0.932788 O\n0.583873 0.282461 0.067212 O\n0.046367 0.744641 0.927900 O\n0.953633 0.255359 0.072100 O\n0.497690 0.754053 0.662732 O\n0.502310 0.245947 0.337268 O\n0.118434 0.838690 0.678262 O\n0.881566 0.161310 0.321738 O\n0.281943 0.068597 0.654287 O\n0.718057 0.931403 0.345713 O\n0.599057 0.965471 0.722084 O\n0.400943 0.034529 0.277916 O\n0.274091 0.015184 0.844737 O\n0.725909 0.984816 0.155263 O\n0.141602 0.890806 0.323999 O\n0.858398 0.109194 0.676001 O\n0.483794 0.785490 0.464516 O\n0.516206 0.214510 0.535484 O\n0.005542 0.669457 0.532520 O\n0.994458 0.330543 0.467480 O\n0.794978 0.950463 0.520846 O\n0.205022 0.049537 0.479154 O\n0.800071 0.669785 0.831351 O\n0.199929 0.330215 0.168649 O\n0.745611 0.551023 0.647308 O\n0.254389 0.448977 0.352692 O\n0.214844 0.523348 0.685581 O\n0.785156 0.476652 0.314419 O\n0.621957 0.412673 0.877050 O\n0.378043 0.587327 0.122950 O\n0.120312 0.390131 0.910112 O\n0.879688 0.609869 0.089888 O\n0.034075 0.297067 0.676801 O\n0.965925 0.702933 0.323199 O\n0.562735 0.375439 0.640656 O\n0.437265 0.624561 0.359344 O\n0.415574 0.198443 0.867734 O\n0.584426 0.801557 0.132266 O\n0.909552 0.157166 0.906134 O\n0.090448 0.842834 0.093866 O\n0.298176 0.067096 0.086573 O\n0.701824 0.932904 0.913427 O\n",
"nsites": 116,
"nelements": 4,
"elements": [
"Na",
"P",
"H",
"O"
],
"chemical_system": "H-Na-O-P",
"density": 1.750395999697218,
"density_atomic": 0.10396313103708135,
"volume": 1115.7801697856269,
"volume_molar": 5.792573482470469,
"formula_full": "Na10 P6 H56 O44",
"formula_reduced": "Na5P3(H14O11)2",
"formula_anonymous": "A3B5C22D28",
"energy": -635.6759739099999,
"energy_per_atom": -5.479965292327585,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -605.44797391,
"band_gap": 4.0378,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.385000Z",
"spacegroup": 2
},
{
"id": "mp-1661936",
"created_at": "2022-09-04T14:42:01.987669Z",
"structure_string": "Mg4 V6 O16\n1.0\n5.915824 -0.000057 0.000111\n-2.957926 5.123301 -0.000084\n0.000194 -0.000061 9.505615\nMg V O\n4 6 16\ndirect\n0.666652 0.333324 0.022214 Mg\n0.333336 0.666661 0.522254 Mg\n0.666652 0.333350 0.421529 Mg\n0.333353 0.666674 0.921523 Mg\n0.837672 0.163806 0.744388 V\n0.836206 0.673825 0.744396 V\n0.326188 0.162347 0.744391 V\n0.673737 0.836503 0.244166 V\n0.162720 0.326257 0.244154 V\n0.163487 0.837269 0.244165 V\n0.999990 0.000025 0.353110 O\n0.000027 0.000004 0.853406 O\n0.333318 0.666671 0.131756 O\n0.666683 0.333319 0.631912 O\n0.851569 0.178145 0.145577 O\n0.673439 0.822010 0.645871 O\n0.148615 0.326550 0.645855 O\n0.821833 0.673441 0.145584 O\n0.326548 0.148417 0.145579 O\n0.177975 0.851380 0.645862 O\n0.505618 0.468412 0.864975 O\n0.037185 0.531671 0.364793 O\n0.494445 0.962812 0.364800 O\n0.531598 0.037186 0.864971 O\n0.962826 0.494390 0.864975 O\n0.468332 0.505557 0.364796 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.79750997018332,
"density_atomic": 0.09024651226530449,
"volume": 288.0997763499806,
"volume_molar": 6.672990023477316,
"formula_full": "Mg4 V6 O16",
"formula_reduced": "Mg2V3O8",
"formula_anonymous": "A2B3C8",
"energy": -209.65775801,
"energy_per_atom": -8.06375992346154,
"energy_above_hull": null,
"is_stable": null,
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"is_magnetic": true,
"total_magnetization": 3.37e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.647000Z",
"spacegroup": 159
},
{
"id": "mp-1080155",
"created_at": "2022-09-04T14:42:02.050741Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n1.700631 -2.945579 0.000000\n1.700631 2.945579 0.000000\n0.000000 0.000000 38.855686\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.000000 0.000000 0.330204 Te\n0.000000 0.000000 0.705938 Te\n0.000000 0.000000 0.233330 Te\n0.000000 0.000000 0.609118 Te\n0.000000 0.000000 0.093953 Mo\n0.000000 0.000000 0.469678 Mo\n0.333333 0.666667 0.281804 W\n0.333333 0.666667 0.657548 W\n0.333333 0.666667 0.427285 Se\n0.333333 0.666667 0.512020 Se\n0.333333 0.666667 0.055305 S\n0.333333 0.666667 0.132566 S\n",
"nsites": 12,
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"elements": [
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"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.511243881525502,
"density_atomic": 0.030825909795160943,
"volume": 389.28291426726236,
"volume_molar": 19.535970876503885,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy": -83.49364537000001,
"energy_per_atom": -6.957803780833334,
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"band_gap": 0.0548000000000001,
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"updated_at": "2021-11-28T01:35:44.103000Z",
"spacegroup": 156
},
{
"id": "mp-775170",
"created_at": "2022-09-04T14:42:28.968629Z",
"structure_string": "Li12 Al6 Cr12 Sb6 O48\n1.0\n-5.878385 0.000000 0.000000\n2.930507 5.110257 0.000000\n-0.024223 -0.068305 -28.785650\nLi Al Cr Sb O\n12 6 12 6 48\ndirect\n0.667070 0.333540 0.365910 Li\n0.666788 0.332571 0.699000 Li\n0.666532 0.332577 0.033237 Li\n0.000102 0.000395 0.005531 Li\n0.002667 0.997790 0.836118 Li\n0.999596 0.000595 0.670611 Li\n0.997435 0.995101 0.502039 Li\n0.000247 0.000782 0.338053 Li\n0.000140 0.000569 0.168541 Li\n0.332330 0.668200 0.864888 Li\n0.333653 0.667670 0.197187 Li\n0.333814 0.668658 0.530838 Li\n0.170870 0.341454 0.095166 Al\n0.658820 0.830078 0.428319 Al\n0.658583 0.828972 0.095198 Al\n0.170571 0.829122 0.761781 Al\n0.171450 0.830210 0.428328 Al\n0.170554 0.829099 0.095215 Al\n0.830345 0.169480 0.929329 Cr\n0.830002 0.169958 0.595121 Cr\n0.831230 0.170880 0.261716 Cr\n0.338996 0.169646 0.929257 Cr\n0.338639 0.170248 0.595060 Cr\n0.339781 0.170863 0.261744 Cr\n0.830207 0.660900 0.929285 Cr\n0.829414 0.660794 0.594921 Cr\n0.830905 0.661639 0.261661 Cr\n0.169651 0.339749 0.762124 Cr\n0.170420 0.340609 0.428768 Cr\n0.660307 0.830243 0.762202 Cr\n0.667320 0.333083 0.837452 Sb\n0.665395 0.331181 0.503173 Sb\n0.666797 0.333880 0.169503 Sb\n0.331589 0.668366 0.671229 Sb\n0.335477 0.670741 0.338240 Sb\n0.333282 0.666496 0.005803 Sb\n0.827113 0.154404 0.466724 O\n0.836980 0.163444 0.801957 O\n0.835600 0.165063 0.132368 O\n0.517873 0.035042 0.885735 O\n0.518173 0.035768 0.217961 O\n0.517094 0.034751 0.551760 O\n0.667374 0.335138 0.297329 O\n0.666532 0.334225 0.964852 O\n0.666383 0.334751 0.630679 O\n0.999252 0.999521 0.563394 O\n0.009750 0.990049 0.732694 O\n0.991217 0.982276 0.400890 O\n0.327210 0.154478 0.466775 O\n0.000538 0.000289 0.230011 O\n0.999969 0.999675 0.068821 O\n0.999786 0.999065 0.897580 O\n0.329318 0.165169 0.132419 O\n0.332077 0.157782 0.800399 O\n0.965383 0.481903 0.885870 O\n0.964993 0.481504 0.551354 O\n0.965812 0.482768 0.217996 O\n0.516465 0.482640 0.885414 O\n0.515582 0.481824 0.551355 O\n0.517125 0.483182 0.218085 O\n0.164479 0.329220 0.969678 O\n0.164027 0.330326 0.635362 O\n0.165425 0.331075 0.302430 O\n0.832554 0.665387 0.465972 O\n0.835354 0.671056 0.132496 O\n0.842364 0.667989 0.800482 O\n0.482105 0.518154 0.718968 O\n0.488103 0.525656 0.386557 O\n0.481287 0.518755 0.054273 O\n0.035545 0.523321 0.719659 O\n0.037938 0.525841 0.386575 O\n0.324317 0.675619 0.796378 O\n0.341742 0.683526 0.461903 O\n0.333401 0.666930 0.128059 O\n0.669491 0.835890 0.635245 O\n0.670523 0.835633 0.969631 O\n0.671649 0.837166 0.301925 O\n0.037817 0.518945 0.054293 O\n0.476726 0.964141 0.719696 O\n0.482199 0.964470 0.386924 O\n0.480801 0.961628 0.054347 O\n0.164946 0.835520 0.969558 O\n0.165491 0.836954 0.301894 O\n0.164033 0.835950 0.634883 O\n",
"nsites": 84,
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"elements": [
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"Al",
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"Sb",
"O"
],
"chemical_system": "Al-Cr-Li-O-Sb",
"density": 4.546661883988995,
"density_atomic": 0.0971409792748177,
"volume": 864.7225983007535,
"volume_molar": 6.1993823872858025,
"formula_full": "Li12 Al6 Cr12 Sb6 O48",
"formula_reduced": "Li2AlCr2SbO8",
"formula_anonymous": "ABC2D2E8",
"energy": -633.4102508000001,
"energy_per_atom": -7.540598223809525,
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"updated_at": "2021-11-28T01:35:50.912000Z",
"spacegroup": 1
},
{
"id": "mp-1218779",
"created_at": "2022-09-04T14:42:01.989206Z",
"structure_string": "Sr4 Pr2 Mn6 O18\n1.0\n2.729970 4.819816 0.000000\n-2.729970 4.819816 0.000000\n0.000000 0.335731 13.500238\nSr Pr Mn O\n4 2 6 18\ndirect\n0.831362 0.834773 0.917201 Sr\n0.165227 0.168638 0.582799 Sr\n0.834773 0.831362 0.417201 Sr\n0.168638 0.165227 0.082799 Sr\n0.504645 0.495355 0.250000 Pr\n0.495355 0.504645 0.750000 Pr\n0.832826 0.833240 0.666037 Mn\n0.167174 0.166760 0.333963 Mn\n0.500000 0.500000 0.000000 Mn\n0.166760 0.167174 0.833963 Mn\n0.500000 0.500000 0.500000 Mn\n0.833240 0.832826 0.166037 Mn\n0.199336 0.612455 0.100402 O\n0.522860 0.936810 0.761577 O\n0.855969 0.285003 0.427531 O\n0.800664 0.387545 0.899598 O\n0.144031 0.714997 0.572469 O\n0.477140 0.063190 0.238423 O\n0.612455 0.199336 0.600402 O\n0.936810 0.522860 0.261577 O\n0.285003 0.855969 0.927531 O\n0.714997 0.144031 0.072469 O\n0.063190 0.477140 0.738423 O\n0.387545 0.800664 0.399598 O\n0.336939 0.336209 0.911499 O\n0.663791 0.663061 0.588501 O\n0.007047 0.992953 0.250000 O\n0.992953 0.007047 0.750000 O\n0.336209 0.336939 0.411499 O\n0.663061 0.663791 0.088501 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
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"Pr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Pr-Sr",
"density": 5.842100832619283,
"density_atomic": 0.08444258128582363,
"volume": 355.2709964947087,
"volume_molar": 7.131639829455341,
"formula_full": "Sr4 Pr2 Mn6 O18",
"formula_reduced": "Sr2PrMn3O9",
"formula_anonymous": "AB2C3D9",
"energy": -239.79513405,
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"updated_at": "2021-11-28T01:35:33.251000Z",
"spacegroup": 15
},
{
"id": "mp-1195164",
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"formula_full": "Tb1 Mn2 Bi1 O6",
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{
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}