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{
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"results": [
{
"id": "mp-1174775",
"created_at": "2022-09-04T14:40:55.283865Z",
"structure_string": "Li6 Mn3 Co1 O10\n1.0\n5.162966 0.000000 0.000000\n-1.902780 5.608317 0.000000\n-0.706576 -1.941531 6.190154\nLi Mn Co O\n6 3 1 10\ndirect\n0.800551 0.104403 0.596009 Li\n0.603357 0.693989 0.202155 Li\n0.200121 0.906354 0.391968 Li\n0.990185 0.496924 0.009477 Li\n0.406196 0.298602 0.803391 Li\n0.602995 0.203217 0.204033 Li\n0.000530 0.001773 0.001860 Mn\n0.797124 0.592396 0.592793 Mn\n0.401094 0.803495 0.804239 Mn\n0.202183 0.393478 0.392378 Co\n0.076089 0.941585 0.708647 O\n0.899366 0.558489 0.324261 O\n0.504286 0.721585 0.509164 O\n0.272141 0.336621 0.102829 O\n0.709114 0.119572 0.903043 O\n0.513387 0.272592 0.512447 O\n0.280731 0.860163 0.077919 O\n0.927913 0.064434 0.288104 O\n0.721821 0.659151 0.894658 O\n0.090817 0.471177 0.680625 O\n",
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"formula_full": "Li6 Mn3 Co1 O10",
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{
"id": "mp-504103",
"created_at": "2022-09-04T14:44:46.223821Z",
"structure_string": "Li2 W4 O8\n1.0\n0.000000 4.503155 4.503155\n4.503155 0.000000 4.503155\n4.503155 4.503155 0.000000\nLi W O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.125000 0.125000 0.125000 W\n0.125000 0.125000 0.625000 W\n0.125000 0.625000 0.125000 W\n0.625000 0.125000 0.125000 W\n0.911094 0.362969 0.362969 O\n0.362969 0.362969 0.362969 O\n0.338906 0.887031 0.887031 O\n0.887031 0.887031 0.338906 O\n0.887031 0.887031 0.887031 O\n0.887031 0.338906 0.887031 O\n0.362969 0.362969 0.911094 O\n0.362969 0.911094 0.362969 O\n",
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"density_atomic": 0.0766562116647757,
"volume": 182.63360132148483,
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"formula_full": "Li2 W4 O8",
"formula_reduced": "Li(WO2)2",
"formula_anonymous": "AB2C4",
"energy": -120.53464958,
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"updated_at": "2021-11-28T01:36:44.668000Z",
"spacegroup": 227
},
{
"id": "mp-1175780",
"created_at": "2022-09-04T14:45:13.707798Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.949158 5.121189 0.000000\n-2.949158 5.121189 0.000000\n0.000000 3.259596 9.580644\nLi Mn Co O\n9 2 5 16\ndirect\n0.494598 0.997241 0.755701 Li\n0.758574 0.744550 0.998121 Li\n0.002759 0.505402 0.244299 Li\n0.997798 0.498375 0.752694 Li\n0.255450 0.241426 0.001879 Li\n0.501625 0.002202 0.247306 Li\n0.754368 0.746995 0.499279 Li\n0.253005 0.245632 0.500721 Li\n0.248703 0.751297 0.000000 Li\n0.001436 0.998529 0.752799 Mn\n0.001471 0.998564 0.247201 Mn\n0.493643 0.503493 0.241635 Co\n0.746365 0.253635 0.500000 Co\n0.496507 0.506357 0.758365 Co\n0.754980 0.245020 0.000000 Co\n0.249749 0.750251 0.500000 Co\n0.882409 0.891810 0.626872 O\n0.124753 0.645154 0.863144 O\n0.392758 0.379153 0.129395 O\n0.380716 0.398090 0.619781 O\n0.651422 0.118416 0.867147 O\n0.873289 0.903961 0.128265 O\n0.123791 0.648397 0.367652 O\n0.657831 0.124135 0.370245 O\n0.096039 0.126711 0.871735 O\n0.354846 0.875247 0.136856 O\n0.601910 0.619284 0.380219 O\n0.620847 0.607242 0.870605 O\n0.881584 0.348578 0.132853 O\n0.108190 0.117591 0.373128 O\n0.351603 0.876209 0.632348 O\n0.875865 0.342169 0.629755 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.92616759,
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"spacegroup": 5
},
{
"id": "mp-3930",
"created_at": "2022-09-04T14:41:13.468787Z",
"structure_string": "Sc4 Mn2 S8\n1.0\n0.000000 5.306475 5.306475\n5.306475 0.000000 5.306475\n5.306475 5.306475 0.000000\nSc Mn S\n4 2 8\ndirect\n0.125000 0.125000 0.625000 Sc\n0.625000 0.125000 0.125000 Sc\n0.125000 0.625000 0.125000 Sc\n0.125000 0.125000 0.125000 Sc\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Mn\n0.369011 0.369011 0.369011 S\n0.880989 0.357032 0.880989 S\n0.369011 0.892968 0.369011 S\n0.880989 0.880989 0.357032 S\n0.357032 0.880989 0.880989 S\n0.369011 0.369011 0.892968 S\n0.892968 0.369011 0.369011 S\n0.880989 0.880989 0.880989 S\n",
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"elements": [
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"chemical_system": "Mn-S-Sc",
"density": 3.035065889997954,
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"volume": 298.8466302778118,
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"formula_full": "Sc4 Mn2 S8",
"formula_reduced": "Sc2MnS4",
"formula_anonymous": "AB2C4",
"energy": -102.40883776,
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"updated_at": "2021-11-28T01:35:12.660000Z",
"spacegroup": 227
},
{
"id": "mp-754842",
"created_at": "2022-09-04T14:41:14.690613Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n5.213015 0.000000 0.000000\n0.000000 5.084732 0.000000\n0.000000 5.049445 6.731599\nLi Fe Si O\n2 2 2 8\ndirect\n0.681088 0.508325 0.002959 Li\n0.318912 0.508325 0.502959 Li\n0.322115 0.009591 0.004943 Fe\n0.677885 0.009591 0.504943 Fe\n0.814623 0.761476 0.252785 Si\n0.185377 0.761476 0.752785 Si\n0.663993 0.841955 0.055874 O\n0.123735 0.714573 0.239406 O\n0.761678 0.069829 0.264315 O\n0.683396 0.429340 0.449912 O\n0.336007 0.841955 0.555874 O\n0.876265 0.714573 0.739406 O\n0.238322 0.069829 0.764315 O\n0.316604 0.429340 0.949912 O\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Fe-Li-O-Si",
"density": 2.882495169985566,
"density_atomic": 0.07846080439397157,
"volume": 178.4330419262904,
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"formula_full": "Li2 Fe2 Si2 O8",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:35:15.322000Z",
"spacegroup": 7
},
{
"id": "mp-699008",
"created_at": "2022-09-04T14:42:39.622900Z",
"structure_string": "Rb4 Mn2 V4 Cl4 O12\n1.0\n5.515438 0.000000 0.000000\n-0.941668 9.811438 0.000000\n-1.431853 -1.150717 10.823323\nRb Mn V Cl O\n4 2 4 4 12\ndirect\n0.445138 0.785538 0.911754 Rb\n0.916568 0.582415 0.618468 Rb\n0.399398 0.286698 0.448962 Rb\n0.692107 0.065831 0.220347 Rb\n0.802729 0.434757 0.263224 Mn\n0.246637 0.321679 0.067067 Mn\n0.189219 0.291090 0.770054 V\n0.319171 0.853975 0.456347 V\n0.955812 0.002237 0.548521 V\n0.859091 0.497608 0.973667 V\n0.079276 0.081740 0.038535 Cl\n0.285562 0.808619 0.243364 Cl\n0.399643 0.636104 0.509050 Cl\n0.486614 0.163250 0.844102 Cl\n0.107402 0.025416 0.423335 O\n0.006609 0.147755 0.655745 O\n0.773455 0.582838 0.334874 O\n0.299208 0.400709 0.680109 O\n0.964215 0.651216 0.933712 O\n0.549917 0.487973 0.955457 O\n0.008232 0.364496 0.887291 O\n0.524550 0.334134 0.199726 O\n0.111400 0.863301 0.594529 O\n0.978544 0.454752 0.127732 O\n0.928424 0.329571 0.361975 O\n0.637264 0.956168 0.502536 O\n",
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"elements": [
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"Cl",
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],
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"density": 2.804863673089637,
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"volume": 585.6973918199391,
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"formula_full": "Rb4 Mn2 V4 Cl4 O12",
"formula_reduced": "Rb2MnV2(ClO3)2",
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"energy": -178.33773507,
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"spacegroup": 1
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{
"id": "mp-1041454",
"created_at": "2022-09-04T14:44:58.675406Z",
"structure_string": "Ba1 W4 O8\n1.0\n3.044871 -5.273871 0.000000\n3.044871 5.273871 0.000000\n0.000000 0.000000 7.282206\nBa W O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.719735 W\n0.666667 0.333333 0.719735 W\n0.333333 0.666667 0.280265 W\n0.666667 0.333333 0.280265 W\n0.344983 0.344983 0.714116 O\n0.655017 0.000000 0.714116 O\n0.000000 0.655017 0.714116 O\n0.655017 0.655017 0.285884 O\n0.000000 0.344983 0.285884 O\n0.344983 0.000000 0.285884 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"volume": 233.87906899302416,
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"formula_full": "Ba1 W4 O8",
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{
"id": "mp-1284127",
"created_at": "2022-09-04T14:43:01.665944Z",
"structure_string": "Li4 Mn2 Ni2 O8\n1.0\n5.173680 -0.148042 0.000001\n2.131205 4.716643 0.000001\n0.000002 0.000002 5.735988\nLi Mn Ni O\n4 2 2 8\ndirect\n0.000000 0.500001 0.250000 Li\n0.500001 0.000000 0.750000 Li\n0.500001 0.500001 0.999752 Li\n0.000002 0.999999 0.500248 Li\n0.999994 0.499983 0.749994 Mn\n0.499998 0.000007 0.250003 Mn\n0.999998 0.000004 0.998150 Ni\n0.499995 0.500004 0.501854 Ni\n0.277880 0.777880 0.249999 O\n0.776435 0.276432 0.750001 O\n0.722122 0.222120 0.249999 O\n0.223566 0.723566 0.750000 O\n0.230069 0.248679 0.990591 O\n0.748683 0.730065 0.509410 O\n0.251320 0.269936 0.509410 O\n0.769935 0.751322 0.990591 O\n",
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"volume": 141.78163174276293,
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"formula_full": "Li4 Mn2 Ni2 O8",
"formula_reduced": "Li2MnNiO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 21
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{
"id": "mp-1238798",
"created_at": "2022-09-04T14:45:08.383650Z",
"structure_string": "Na2 Cr4 S8\n1.0\n-3.887380 3.887380 4.441135\n3.887380 -3.887380 4.441135\n3.887380 3.887380 -4.441135\nNa Cr S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Na\n0.875000 0.625000 0.250000 Cr\n0.375000 0.125000 0.750000 Cr\n0.375000 0.625000 0.750000 Cr\n0.375000 0.625000 0.250000 Cr\n0.551504 0.362758 0.188746 S\n0.637242 0.448496 0.811254 S\n0.174012 0.362758 0.811254 S\n0.637242 0.825988 0.188746 S\n0.198496 0.887242 0.311254 S\n0.112758 0.424012 0.311254 S\n0.575988 0.887242 0.688746 S\n0.112758 0.801504 0.688746 S\n",
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{
"id": "mp-1100680",
"created_at": "2022-09-04T14:41:52.278818Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.774955 5.115603 0.000000\n-5.774955 5.115603 0.000000\n0.000000 1.847913 4.827473\nLi Mn Co O\n9 2 5 16\ndirect\n0.876242 0.375486 0.501517 Li\n0.992555 0.747223 0.496589 Li\n0.114853 0.114853 0.507023 Li\n0.252282 0.505970 0.502661 Li\n0.375486 0.876242 0.501517 Li\n0.505970 0.252282 0.502661 Li\n0.631438 0.631438 0.492237 Li\n0.747223 0.992555 0.496589 Li\n0.874155 0.874155 0.997441 Li\n0.995285 0.247112 0.996807 Mn\n0.247112 0.995285 0.996807 Mn\n0.123535 0.626663 0.000326 Co\n0.379800 0.379800 0.005405 Co\n0.510359 0.757883 0.002616 Co\n0.626663 0.123535 0.000326 Co\n0.757883 0.510359 0.002616 Co\n0.766558 0.251106 0.237094 O\n0.885151 0.617944 0.222626 O\n0.015381 0.015381 0.226634 O\n0.124085 0.377535 0.207650 O\n0.251106 0.766558 0.237094 O\n0.377535 0.124085 0.207650 O\n0.502625 0.502625 0.242182 O\n0.617944 0.885151 0.222626 O\n0.998631 0.485994 0.762560 O\n0.133733 0.871367 0.784136 O\n0.236631 0.236631 0.770056 O\n0.364334 0.620505 0.788699 O\n0.485994 0.998631 0.762560 O\n0.620505 0.364334 0.788699 O\n0.737580 0.737580 0.752459 O\n0.871367 0.133733 0.784136 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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"formula_anonymous": "A2B5C9D16",
"energy": -209.04807549,
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{
"id": "mp-26190",
"created_at": "2022-09-04T14:43:16.520180Z",
"structure_string": "Co6 P8 O32\n1.0\n7.515169 0.000000 0.000000\n0.000000 7.514241 0.000000\n0.000000 0.627233 9.943009\nCo P O\n6 8 32\ndirect\n0.490238 0.759359 0.623417 Co\n0.364394 0.340011 0.315266 Co\n0.864394 0.659989 0.684734 Co\n0.508150 0.762361 0.128352 Co\n0.008150 0.237639 0.871648 Co\n0.990238 0.240641 0.376583 Co\n0.800042 0.053504 0.641469 P\n0.173299 0.447669 0.100887 P\n0.200807 0.437328 0.612872 P\n0.300042 0.946496 0.358531 P\n0.314682 0.937495 0.863201 P\n0.673299 0.552331 0.899113 P\n0.700807 0.562672 0.387128 P\n0.814682 0.062505 0.136799 P\n0.453114 0.086588 0.839410 O\n0.610726 0.988235 0.608160 O\n0.128925 0.000462 0.903964 O\n0.931972 0.890156 0.652651 O\n0.953114 0.913412 0.160590 O\n0.554633 0.415504 0.404551 O\n0.054633 0.584496 0.595449 O\n0.431972 0.109844 0.347349 O\n0.379963 0.522372 0.641893 O\n0.371123 0.784876 0.966340 O\n0.310062 0.859133 0.221308 O\n0.307545 0.857231 0.721453 O\n0.879963 0.477628 0.358107 O\n0.110726 0.011765 0.391840 O\n0.810062 0.140867 0.778692 O\n0.866717 0.501954 0.840270 O\n0.041867 0.594822 0.095281 O\n0.628925 0.999538 0.096036 O\n0.649190 0.718108 0.288436 O\n0.146907 0.296430 0.225844 O\n0.694425 0.652830 0.027831 O\n0.646907 0.703570 0.774156 O\n0.863040 0.197145 0.536030 O\n0.807545 0.142769 0.278547 O\n0.541867 0.405178 0.904719 O\n0.363040 0.802855 0.463970 O\n0.366717 0.498046 0.159730 O\n0.698511 0.645157 0.531283 O\n0.871123 0.215124 0.033660 O\n0.194425 0.347170 0.972169 O\n0.149190 0.281892 0.711564 O\n0.198511 0.354843 0.468717 O\n",
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"elements": [
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],
"chemical_system": "Co-O-P",
"density": 3.2926603537190546,
"density_atomic": 0.08192493923792259,
"volume": 561.4895833661707,
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"formula_full": "Co6 P8 O32",
"formula_reduced": "Co3(PO4)4",
"formula_anonymous": "A3B4C16",
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"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -298.33092245,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:12.773000Z",
"spacegroup": 4
},
{
"id": "mp-756714",
"created_at": "2022-09-04T14:47:00.554543Z",
"structure_string": "Li5 Co5 Sn2 O12\n1.0\n4.583878 2.603312 0.000000\n-4.583878 2.603312 0.000000\n0.000000 2.049667 9.841507\nLi Co Sn O\n5 5 2 12\ndirect\n0.811979 0.682176 0.250789 Li\n0.670065 0.812653 0.743326 Li\n0.317824 0.188021 0.749211 Li\n0.187347 0.329935 0.256674 Li\n0.085786 0.914214 0.500000 Li\n0.915856 0.084144 0.000000 Co\n0.999514 0.503451 0.746632 Co\n0.496549 0.000486 0.253368 Co\n0.582435 0.417565 0.000000 Co\n0.418726 0.581274 0.500000 Co\n0.749242 0.250758 0.500000 Sn\n0.248995 0.751005 0.000000 Sn\n0.054538 0.238229 0.616782 O\n0.761771 0.945462 0.383218 O\n0.871397 0.373505 0.123598 O\n0.626495 0.128603 0.876402 O\n0.687093 0.527758 0.615332 O\n0.472242 0.312907 0.384668 O\n0.535949 0.713416 0.118704 O\n0.286584 0.464051 0.881296 O\n0.383323 0.845068 0.613536 O\n0.154932 0.616677 0.386464 O\n0.212370 0.031011 0.124202 O\n0.968989 0.787630 0.875798 O\n",
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"nelements": 4,
"elements": [
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"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-O-Sn",
"density": 5.364339567799169,
"density_atomic": 0.10217869924133686,
"volume": 234.88261426497675,
"volume_molar": 5.893734021585308,
"formula_full": "Li5 Co5 Sn2 O12",
"formula_reduced": "Li5Co5(SnO6)2",
"formula_anonymous": "A2B5C5D12",
"energy": -154.95241611,
"energy_per_atom": -6.45635067125,
"energy_above_hull": null,
"is_stable": null,
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"total_magnetization": 9.9999524,
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"updated_at": "2021-11-28T01:37:52.459000Z",
"spacegroup": 5
}
]
}