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{
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"results": [
{
"id": "mp-1178342",
"created_at": "2022-09-04T14:47:07.125710Z",
"structure_string": "Fe10 O9 F11\n1.0\n4.767862 0.000000 0.000000\n-0.276995 4.771644 0.000000\n-0.008169 -0.027247 15.504196\nFe O F\n10 9 11\ndirect\n0.999614 0.976953 0.003349 Fe\n0.038743 0.015704 0.194105 Fe\n0.991168 0.988120 0.401455 Fe\n0.021320 0.012498 0.605204 Fe\n0.035039 0.008030 0.792636 Fe\n0.461025 0.514445 0.094090 Fe\n0.489726 0.483069 0.495177 Fe\n0.494218 0.484292 0.304531 Fe\n0.452410 0.505007 0.700046 Fe\n0.496718 0.475994 0.905926 Fe\n0.186734 0.810700 0.101620 O\n0.202305 0.805709 0.705032 O\n0.289101 0.294236 0.999631 O\n0.315716 0.319161 0.201988 O\n0.295122 0.287266 0.397890 O\n0.317917 0.320831 0.596023 O\n0.309948 0.314025 0.804170 O\n0.688549 0.691129 0.999281 O\n0.698380 0.690201 0.398397 O\n0.194851 0.806897 0.298728 F\n0.201918 0.795663 0.494346 F\n0.191300 0.802201 0.898966 F\n0.705399 0.711837 0.203779 F\n0.701006 0.701875 0.597687 F\n0.704194 0.707052 0.802824 F\n0.801680 0.196566 0.102779 F\n0.803080 0.193853 0.496415 F\n0.811627 0.187827 0.297479 F\n0.808412 0.183334 0.899190 F\n0.792775 0.215525 0.707257 F\n",
"nsites": 30,
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"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.29071869707985,
"density_atomic": 0.08505117019698047,
"volume": 352.7288328957651,
"volume_molar": 7.080608939362719,
"formula_full": "Fe10 O9 F11",
"formula_reduced": "Fe10O9F11",
"formula_anonymous": "A9B10C11",
"energy": -212.41823466,
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"updated_at": "2021-11-28T01:37:58.072000Z",
"spacegroup": 1
},
{
"id": "mp-774660",
"created_at": "2022-09-04T14:47:07.128188Z",
"structure_string": "Na8 Ni4 P4 C4 O28\n1.0\n5.148574 0.000000 0.000000\n0.239665 11.071641 0.000000\n0.263620 3.224662 10.691844\nNa Ni P C O\n8 4 4 4 28\ndirect\n0.243278 0.132031 0.119452 Na\n0.749349 0.352195 0.379373 Na\n0.756907 0.631110 0.115775 Na\n0.212527 0.314669 0.595444 Na\n0.249033 0.638269 0.623377 Na\n0.247982 0.372951 0.888649 Na\n0.244423 0.868751 0.384909 Na\n0.758723 0.873558 0.877403 Na\n0.780589 0.048298 0.298491 Ni\n0.219501 0.450293 0.199853 Ni\n0.780138 0.551536 0.801161 Ni\n0.216799 0.956684 0.698071 Ni\n0.717023 0.335496 0.085472 P\n0.284358 0.162940 0.412512 P\n0.719294 0.838260 0.587108 P\n0.285013 0.667265 0.915628 P\n0.285137 0.088256 0.839176 C\n0.286715 0.587582 0.338318 C\n0.717465 0.911949 0.162826 C\n0.712147 0.413389 0.658258 C\n0.789933 0.193429 0.129406 O\n0.139452 0.088825 0.337286 O\n0.414469 0.350994 0.102841 O\n0.581294 0.148184 0.386590 O\n0.853755 0.410390 0.163079 O\n0.208801 0.619005 0.056482 O\n0.222851 0.118838 0.553854 O\n0.215215 0.306715 0.371497 O\n0.481524 0.539771 0.289047 O\n0.472916 0.038672 0.788030 O\n0.056846 0.062169 0.806723 O\n0.060632 0.556141 0.307107 O\n0.684161 0.348045 0.583509 O\n0.688320 0.844405 0.091387 O\n0.320170 0.157970 0.908439 O\n0.312192 0.655139 0.410283 O\n0.943686 0.941790 0.195173 O\n0.940959 0.441244 0.690538 O\n0.514319 0.457562 0.708982 O\n0.523998 0.960368 0.212714 O\n0.788621 0.384667 0.944812 O\n0.791383 0.881764 0.445836 O\n0.787459 0.694940 0.633158 O\n0.150419 0.590782 0.838970 O\n0.418633 0.855230 0.604245 O\n0.586468 0.652574 0.900583 O\n0.862950 0.911087 0.663165 O\n0.206244 0.808730 0.869768 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Ni",
"P",
"C",
"O"
],
"chemical_system": "C-Na-Ni-O-P",
"density": 2.829770410048374,
"density_atomic": 0.07875709152175295,
"volume": 609.4689261949478,
"volume_molar": 7.646474296650055,
"formula_full": "Na8 Ni4 P4 C4 O28",
"formula_reduced": "Na2NiPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -330.83845404,
"energy_per_atom": -6.8924677925,
"energy_above_hull": null,
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"energy_uncorrected": -301.43845404,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:57.847000Z",
"spacegroup": 1
},
{
"id": "mp-893087",
"created_at": "2022-09-04T14:47:07.180897Z",
"structure_string": "Li10 Mn12 B12 O36\n1.0\n10.434476 0.000000 0.000000\n-1.270020 8.787423 0.000000\n-1.338748 -3.017520 8.194826\nLi Mn B O\n10 12 12 36\ndirect\n0.189701 0.204609 0.902330 Li\n0.533977 0.231128 0.511235 Li\n0.775843 0.480013 0.765189 Li\n0.167754 0.445563 0.458711 Li\n0.438361 0.455333 0.160468 Li\n0.408747 0.690844 0.707932 Li\n0.026253 0.727193 0.014634 Li\n0.656473 0.934699 0.951643 Li\n0.933119 0.955189 0.651545 Li\n0.281701 0.979366 0.258299 Li\n0.814308 0.175138 0.835661 Mn\n0.162244 0.158916 0.515454 Mn\n0.528746 0.162361 0.148764 Mn\n0.412933 0.404182 0.775961 Mn\n0.783744 0.411448 0.398642 Mn\n0.064293 0.425725 0.076563 Mn\n0.659912 0.649597 0.047643 Mn\n0.007493 0.667835 0.649656 Mn\n0.318262 0.684229 0.320693 Mn\n0.910501 0.912918 0.270550 Mn\n0.272510 0.914531 0.893228 Mn\n0.564723 0.929143 0.570416 Mn\n0.459568 0.126873 0.789692 B\n0.790583 0.132443 0.467934 B\n0.261507 0.252337 0.250111 B\n0.034465 0.372741 0.706690 B\n0.712832 0.384078 0.050286 B\n0.499980 0.497821 0.499807 B\n0.952074 0.615426 0.288187 B\n0.289660 0.628089 0.957960 B\n0.749696 0.748849 0.767163 B\n0.205113 0.874679 0.534103 B\n0.539247 0.873862 0.198459 B\n0.003361 0.992585 0.992439 B\n0.000328 0.068467 0.873931 O\n0.577643 0.051646 0.799809 O\n0.909481 0.060328 0.467362 O\n0.704157 0.118616 0.571447 O\n0.373201 0.123089 0.896463 O\n0.426114 0.206685 0.675365 O\n0.751017 0.218190 0.360823 O\n0.373201 0.169191 0.282290 O\n0.947202 0.368494 0.809987 O\n0.163144 0.308670 0.722022 O\n0.826124 0.311130 0.045375 O\n0.172575 0.274364 0.349534 O\n0.671914 0.469719 0.941081 O\n0.244346 0.314868 0.117658 O\n0.632267 0.378070 0.163499 O\n0.623523 0.425053 0.535941 O\n0.996652 0.445742 0.582419 O\n0.422313 0.563188 0.983259 O\n0.404173 0.511388 0.598886 O\n0.860676 0.597349 0.389058 O\n0.467607 0.554085 0.366172 O\n0.865749 0.669057 0.795557 O\n0.084593 0.557799 0.301517 O\n0.904883 0.692284 0.170900 O\n0.254623 0.697153 0.834116 O\n0.640068 0.745327 0.851886 O\n0.197877 0.617754 0.057345 O\n0.747074 0.831138 0.658882 O\n0.331060 0.806551 0.548291 O\n0.660447 0.801133 0.203608 O\n0.456175 0.869949 0.306095 O\n0.114652 0.865646 0.637161 O\n0.888708 0.989663 0.066820 O\n0.168245 0.952369 0.417466 O\n0.508849 0.952819 0.084408 O\n0.123746 0.917363 0.033280 O\n",
"nsites": 70,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.169862896093519,
"density_atomic": 0.0931592806402849,
"volume": 751.4012508350121,
"volume_molar": 6.464348713955014,
"formula_full": "Li10 Mn12 B12 O36",
"formula_reduced": "Li5Mn6(BO3)6",
"formula_anonymous": "A5B6C6D18",
"energy": -537.43446285,
"energy_per_atom": -7.67763518357143,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -492.68646285,
"band_gap": 0.2498,
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"updated_at": "2021-11-28T01:37:55.864000Z",
"spacegroup": 1
},
{
"id": "mp-772448",
"created_at": "2022-09-04T14:47:07.317453Z",
"structure_string": "Mn3 Co3 Te2 O16\n1.0\n-5.930768 0.000000 0.000000\n2.964826 5.186623 0.000000\n-0.135650 -0.258649 -9.271106\nMn Co Te O\n3 3 2 16\ndirect\n0.169746 0.826935 0.792021 Mn\n0.828715 0.658099 0.289121 Mn\n0.332614 0.166626 0.295497 Mn\n0.663146 0.829203 0.786428 Co\n0.170849 0.337676 0.784281 Co\n0.826333 0.165056 0.280663 Co\n0.330082 0.661647 0.511619 Te\n0.670689 0.335000 0.010677 Te\n0.652949 0.823454 0.402976 O\n0.478205 0.521851 0.649234 O\n0.334347 0.670016 0.889903 O\n0.001797 0.994644 0.704063 O\n0.996210 0.992327 0.203359 O\n0.166575 0.339163 0.405761 O\n0.465442 0.956850 0.657373 O\n0.039494 0.530447 0.658540 O\n0.836308 0.172995 0.909740 O\n0.161974 0.809477 0.401935 O\n0.961720 0.489674 0.157264 O\n0.518998 0.049873 0.150838 O\n0.667416 0.340774 0.388720 O\n0.837437 0.653865 0.901044 O\n0.542556 0.505096 0.150927 O\n0.346600 0.169450 0.902292 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Co",
"Te",
"O"
],
"chemical_system": "Co-Mn-O-Te",
"density": 4.96559418193167,
"density_atomic": 0.08415580486913289,
"volume": 285.1853183190557,
"volume_molar": 7.155942206678166,
"formula_full": "Mn3 Co3 Te2 O16",
"formula_reduced": "Mn3Co3(TeO8)2",
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"energy": -169.18483036,
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"updated_at": "2021-11-28T01:37:58.864000Z",
"spacegroup": 1
},
{
"id": "mp-752819",
"created_at": "2022-09-04T14:47:07.376346Z",
"structure_string": "Li13 Mn2 O12\n1.0\n5.641714 0.006894 0.040346\n2.805341 4.946379 -0.182716\n0.078779 -3.042859 9.189928\nLi Mn O\n13 2 12\ndirect\n0.008004 0.353370 0.873342 Li\n0.999204 0.690662 0.745012 Li\n0.013300 0.739783 0.463863 Li\n0.488472 0.975030 0.117523 Li\n0.459533 0.375385 0.039149 Li\n0.535949 0.324418 0.753005 Li\n0.556095 0.303223 0.365079 Li\n0.452161 0.663815 0.622552 Li\n0.460376 0.694877 0.261121 Li\n0.509085 0.927592 0.861343 Li\n0.979032 0.268167 0.541253 Li\n0.000158 0.324522 0.256285 Li\n0.976316 0.674411 0.135626 Li\n0.011540 0.998799 0.000470 Mn\n0.495337 0.003307 0.504781 Mn\n0.187667 0.239994 0.041053 O\n0.233538 0.251672 0.685901 O\n0.250950 0.239850 0.395612 O\n0.250459 0.791614 0.113940 O\n0.285320 0.753494 0.820101 O\n0.325933 0.774925 0.460236 O\n0.666494 0.230296 0.544143 O\n0.713056 0.257490 0.174712 O\n0.772972 0.198101 0.883508 O\n0.738465 0.763276 0.610646 O\n0.759190 0.763059 0.318253 O\n0.833362 0.771676 0.960534 O\n",
"nsites": 27,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.575759482901088,
"density_atomic": 0.10681224381065396,
"volume": 252.78000945156523,
"volume_molar": 5.63806221567206,
"formula_full": "Li13 Mn2 O12",
"formula_reduced": "Li13Mn2O12",
"formula_anonymous": "A2B12C13",
"energy": -154.25347634000002,
"energy_per_atom": -5.713091716296297,
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"updated_at": "2021-11-28T01:37:53.089000Z",
"spacegroup": 1
},
{
"id": "mp-766397",
"created_at": "2022-09-04T14:47:07.461972Z",
"structure_string": "Li2 Cr4 P4 O20\n1.0\n6.732289 -0.034567 0.047799\n-3.031326 6.280872 -0.021272\n-0.151635 -0.040001 8.037191\nLi Cr P O\n2 4 4 20\ndirect\n0.221655 0.280351 0.072366 Li\n0.689852 0.184329 0.568586 Li\n0.242507 0.002926 0.754759 Cr\n0.247487 0.502241 0.739653 Cr\n0.760199 0.502607 0.248913 Cr\n0.751931 0.000825 0.243317 Cr\n0.240165 0.756022 0.083921 P\n0.263231 0.242932 0.415350 P\n0.739754 0.754626 0.583134 P\n0.760263 0.247376 0.914057 P\n0.146032 0.881321 0.976791 O\n0.072377 0.633876 0.223036 O\n0.235058 0.741405 0.696497 O\n0.281039 0.585162 0.985762 O\n0.191820 0.389161 0.518222 O\n0.065542 0.090300 0.307670 O\n0.451692 0.917131 0.171774 O\n0.260260 0.258447 0.826627 O\n0.657087 0.890848 0.475681 O\n0.434673 0.371630 0.280660 O\n0.562647 0.623998 0.712374 O\n0.359211 0.127267 0.531626 O\n0.739454 0.752191 0.193809 O\n0.554485 0.085785 0.817980 O\n0.942740 0.912018 0.682740 O\n0.798376 0.597980 0.483337 O\n0.704939 0.402892 0.017734 O\n0.762959 0.248560 0.323738 O\n0.921984 0.358883 0.769997 O\n0.865397 0.135528 0.028824 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.260560128486525,
"density_atomic": 0.08848171988409294,
"volume": 339.0530839511104,
"volume_molar": 6.806084655552279,
"formula_full": "Li2 Cr4 P4 O20",
"formula_reduced": "LiCr2(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy": -232.24013940000003,
"energy_per_atom": -7.741337980000001,
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"updated_at": "2021-11-28T01:37:50.665000Z",
"spacegroup": 1
},
{
"id": "mp-770974",
"created_at": "2022-09-04T14:47:07.487616Z",
"structure_string": "Li4 Mn3 Nb2 Cu3 O16\n1.0\n5.935036 0.072302 0.125822\n-2.904747 5.127881 -0.015581\n0.203290 0.089860 9.790276\nLi Mn Nb Cu O\n4 3 2 3 16\ndirect\n0.346283 0.676359 0.903860 Li\n0.989587 0.995534 0.993369 Li\n0.992790 0.994568 0.485755 Li\n0.675375 0.333187 0.402251 Li\n0.656910 0.830871 0.220446 Mn\n0.828577 0.662382 0.715150 Mn\n0.826229 0.164123 0.716104 Mn\n0.309648 0.644413 0.485105 Nb\n0.659647 0.335371 0.995447 Nb\n0.164623 0.830033 0.211130 Cu\n0.163503 0.335499 0.209602 Cu\n0.337829 0.168183 0.713822 Cu\n0.145758 0.816090 0.587737 O\n0.041786 0.499399 0.357549 O\n0.343022 0.670269 0.120874 O\n0.992847 0.999684 0.296025 O\n0.995379 0.995996 0.804372 O\n0.152855 0.322688 0.594895 O\n0.502612 0.969917 0.345716 O\n0.533792 0.557744 0.355050 O\n0.323486 0.180626 0.072966 O\n0.678923 0.841249 0.609503 O\n0.549294 0.514459 0.843174 O\n0.538760 0.041450 0.840137 O\n0.675875 0.337425 0.615642 O\n0.816138 0.663006 0.094691 O\n0.966238 0.481553 0.828488 O\n0.792233 0.138220 0.088975 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Nb",
"Cu",
"O"
],
"chemical_system": "Cu-Li-Mn-Nb-O",
"density": 4.56873608400951,
"density_atomic": 0.09337721131427934,
"volume": 299.8590299057069,
"volume_molar": 6.4492617366043445,
"formula_full": "Li4 Mn3 Nb2 Cu3 O16",
"formula_reduced": "Li4Mn3Nb2Cu3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -203.94637985,
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"energy_above_hull": null,
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"energy_uncorrected": -187.95037985,
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"updated_at": "2021-11-28T01:37:54.030000Z",
"spacegroup": 1
},
{
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