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{
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"results": [
{
"id": "mp-1200955",
"created_at": "2022-09-04T14:40:30.865478Z",
"structure_string": "La21 Mn8 Bi7 C12\n1.0\n0.000000 8.282944 8.282944\n8.282944 0.000000 8.282944\n8.282944 8.282944 0.000000\nLa Mn Bi C\n21 8 7 12\ndirect\n0.000000 0.000000 0.343098 La\n0.656902 0.000000 0.343098 La\n0.000000 0.656902 0.343098 La\n0.656902 0.343098 0.000000 La\n0.000000 0.343098 0.000000 La\n0.000000 0.343098 0.656902 La\n0.343098 0.656902 0.000000 La\n0.343098 0.000000 0.656902 La\n0.343098 0.000000 0.000000 La\n0.000000 0.000000 0.656902 La\n0.000000 0.656902 0.000000 La\n0.656902 0.000000 0.000000 La\n0.636571 0.636571 0.090288 La\n0.636571 0.090288 0.636571 La\n0.090288 0.636571 0.636571 La\n0.636571 0.636571 0.636571 La\n0.363429 0.363429 0.909712 La\n0.363429 0.909712 0.363429 La\n0.909712 0.363429 0.363429 La\n0.363429 0.363429 0.363429 La\n0.500000 0.500000 0.500000 La\n0.801383 0.801383 0.595850 Mn\n0.801383 0.595850 0.801383 Mn\n0.595850 0.801383 0.801383 Mn\n0.801383 0.801383 0.801383 Mn\n0.198617 0.198617 0.404150 Mn\n0.198617 0.404150 0.198617 Mn\n0.404150 0.198617 0.198617 Mn\n0.198617 0.198617 0.198617 Mn\n0.709142 0.709142 0.290858 Bi\n0.290858 0.709142 0.290858 Bi\n0.709142 0.290858 0.290858 Bi\n0.290858 0.290858 0.709142 Bi\n0.709142 0.290858 0.709142 Bi\n0.290858 0.709142 0.709142 Bi\n0.000000 0.000000 0.000000 Bi\n0.892747 0.892747 0.607253 C\n0.607253 0.892747 0.607253 C\n0.892747 0.607253 0.607253 C\n0.607253 0.607253 0.892747 C\n0.892747 0.607253 0.892747 C\n0.607253 0.892747 0.892747 C\n0.107253 0.107253 0.392747 C\n0.392747 0.107253 0.392747 C\n0.107253 0.392747 0.392747 C\n0.392747 0.392747 0.107253 C\n0.107253 0.392747 0.107253 C\n0.392747 0.107253 0.107253 C\n",
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"volume": 1136.5385502119489,
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"formula_full": "La21 Mn8 Bi7 C12",
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"energy": -340.90724629,
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"updated_at": "2021-11-28T01:34:58.114000Z",
"spacegroup": 225
},
{
"id": "mp-1217498",
"created_at": "2022-09-04T14:40:30.892563Z",
"structure_string": "U6 Ga4 Si6\n1.0\n0.000000 5.292262 5.549323\n5.106031 0.000000 5.549323\n5.106031 5.292262 0.000000\nU Ga Si\n6 4 6\ndirect\n0.149976 0.551766 0.850024 U\n0.448234 0.850024 0.551766 U\n0.025519 0.974481 0.662736 U\n0.337264 0.662736 0.974481 U\n0.815847 0.488054 0.184153 U\n0.511946 0.184153 0.488054 U\n0.507406 0.992594 0.992594 Ga\n0.007406 0.492594 0.492594 Ga\n0.011001 0.988999 0.264589 Ga\n0.735411 0.264589 0.988999 Ga\n0.332045 0.667955 0.372514 Si\n0.627486 0.372514 0.667955 Si\n0.140988 0.166653 0.859012 Si\n0.833347 0.859012 0.166653 Si\n0.258063 0.241937 0.241937 Si\n0.758063 0.741937 0.741937 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ga",
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],
"chemical_system": "Ga-Si-U",
"density": 10.384594695474979,
"density_atomic": 0.05334886689906753,
"volume": 299.9126491340655,
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"formula_full": "U6 Ga4 Si6",
"formula_reduced": "U3Ga2Si3",
"formula_anonymous": "A2B3C3",
"energy": -113.79569409,
"energy_per_atom": -7.112230880625,
"energy_above_hull": null,
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"energy_uncorrected": -114.22169409,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.7799113,
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"updated_at": "2021-11-28T01:35:06.773000Z",
"spacegroup": 42
},
{
"id": "mp-1207379",
"created_at": "2022-09-04T14:40:30.685638Z",
"structure_string": "Y3 Tl1 S6\n1.0\n5.579475 -9.697321 0.000000\n5.579475 9.697321 0.000000\n0.000000 0.000000 52.592400\nY Tl S\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.231039 S\n0.000000 0.000000 0.768961 S\n0.280478 0.997133 0.000000 S\n0.719522 0.002867 0.000000 S\n0.997133 0.280478 0.000000 S\n0.002867 0.719522 0.000000 S\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "S-Tl-Y",
"density": 0.19359134723478236,
"density_atomic": 0.0017571219608662027,
"volume": 5691.124590503856,
"volume_molar": 342.7275336671158,
"formula_full": "Y3 Tl1 S6",
"formula_reduced": "Y3TlS6",
"formula_anonymous": "AB3C6",
"energy": -37.6211459,
"energy_per_atom": -3.7621145900000004,
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"updated_at": "2021-11-28T01:35:03.017000Z",
"spacegroup": 65
},
{
"id": "mp-1173728",
"created_at": "2022-09-04T14:40:30.688871Z",
"structure_string": "Na4 Mn2 Cd2 Fe2 P6 O24\n1.0\n6.425747 6.143399 0.000000\n-6.425747 6.143399 0.000000\n0.000000 2.749584 6.051796\nNa Mn Cd Fe P O\n4 2 2 2 6 24\ndirect\n0.980070 0.019930 0.500000 Na\n0.024637 0.975363 0.000000 Na\n0.501837 0.498279 0.250698 Na\n0.501721 0.498163 0.749302 Na\n0.375348 0.070909 0.611037 Mn\n0.929091 0.624652 0.388963 Mn\n0.270896 0.729104 0.500000 Cd\n0.730117 0.269883 0.000000 Cd\n0.617560 0.933063 0.883785 Fe\n0.066937 0.382440 0.116215 Fe\n0.659187 0.872096 0.375551 P\n0.127904 0.340813 0.624449 P\n0.342829 0.132471 0.121714 P\n0.867529 0.657171 0.878286 P\n0.719726 0.280274 0.500000 P\n0.284530 0.715470 0.000000 P\n0.154161 0.165712 0.656622 O\n0.834288 0.845839 0.343378 O\n0.815365 0.825349 0.874254 O\n0.174651 0.184635 0.125746 O\n0.256381 0.827037 0.792003 O\n0.172963 0.743619 0.207997 O\n0.739701 0.153147 0.709647 O\n0.846853 0.260299 0.290353 O\n0.316548 0.008340 0.350885 O\n0.991660 0.683452 0.649115 O\n0.655342 0.991828 0.149234 O\n0.008172 0.344658 0.850766 O\n0.280284 0.455481 0.571380 O\n0.544519 0.719716 0.428620 O\n0.720881 0.537526 0.924583 O\n0.462474 0.279119 0.075417 O\n0.557632 0.260198 0.466035 O\n0.739802 0.442368 0.533965 O\n0.459479 0.740813 0.001397 O\n0.259187 0.540521 0.998603 O\n0.605012 0.946353 0.566575 O\n0.053647 0.394988 0.433425 O\n0.403276 0.052197 0.938044 O\n0.947803 0.596724 0.061956 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
"Na",
"Mn",
"Cd",
"Fe",
"P",
"O"
],
"chemical_system": "Cd-Fe-Mn-Na-O-P",
"density": 3.851332001734183,
"density_atomic": 0.08371694484509515,
"volume": 477.80052263031837,
"volume_molar": 7.193455006203357,
"formula_full": "Na4 Mn2 Cd2 Fe2 P6 O24",
"formula_reduced": "Na2MnCdFe(PO4)3",
"formula_anonymous": "ABCD2E3F12",
"energy": -291.49157549,
"energy_per_atom": -7.28728938725,
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"updated_at": "2021-11-28T01:34:52.459000Z",
"spacegroup": 5
},
{
"id": "mp-1247418",
"created_at": "2022-09-04T14:40:30.723063Z",
"structure_string": "Li2 Mn1 N2\n1.0\n3.026200 -0.000129 0.000464\n-1.513211 2.620958 0.000000\n-0.000190 -0.000109 5.423215\nLi Mn N\n2 1 2\ndirect\n0.666490 0.333245 0.353737 Li\n0.333510 0.666755 0.646263 Li\n0.000000 0.000000 0.000000 Mn\n0.666799 0.333400 0.800681 N\n0.333201 0.666600 0.199319 N\n",
"nsites": 5,
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"elements": [
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"Mn",
"N"
],
"chemical_system": "Li-Mn-N",
"density": 3.7382699111580324,
"density_atomic": 0.1162428312431008,
"volume": 43.01340518404449,
"volume_molar": 5.1806556117045925,
"formula_full": "Li2 Mn1 N2",
"formula_reduced": "Li2MnN2",
"formula_anonymous": "AB2C2",
"energy": -32.53333578,
"energy_per_atom": -6.506667156000001,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:06.379000Z",
"spacegroup": 164
},
{
"id": "mp-755816",
"created_at": "2022-09-04T14:40:30.736686Z",
"structure_string": "Na16 Mn4 O16\n1.0\n6.337886 0.020459 -0.000081\n0.026510 7.587907 -0.000239\n-0.000147 -0.000368 11.406362\nNa Mn O\n16 4 16\ndirect\n0.045058 0.665390 0.447145 Na\n0.045109 0.665463 0.947230 Na\n0.544916 0.165433 0.052798 Na\n0.545156 0.165420 0.552755 Na\n0.308625 0.726141 0.155628 Na\n0.308705 0.726159 0.655633 Na\n0.808647 0.226154 0.344405 Na\n0.808644 0.226184 0.844377 Na\n0.227539 0.315080 0.189342 Na\n0.227714 0.315134 0.689389 Na\n0.727574 0.815050 0.310651 Na\n0.727719 0.815159 0.810564 Na\n0.262164 0.001271 0.348669 Na\n0.262071 0.001391 0.848798 Na\n0.762137 0.501242 0.151330 Na\n0.762148 0.501315 0.651231 Na\n0.989947 0.996471 0.591100 Mn\n0.489897 0.496564 0.908869 Mn\n0.989534 0.996423 0.091270 Mn\n0.489765 0.496431 0.408797 Mn\n0.262492 0.025138 0.129240 O\n0.262863 0.025226 0.629234 O\n0.762681 0.525229 0.370709 O\n0.762848 0.525223 0.870768 O\n0.434531 0.476252 0.063369 O\n0.434376 0.476197 0.563262 O\n0.934543 0.976258 0.436578 O\n0.934139 0.976170 0.936863 O\n0.432987 0.269218 0.363163 O\n0.432938 0.269323 0.863203 O\n0.932864 0.769169 0.136882 O\n0.933070 0.769264 0.636751 O\n0.380144 0.704261 0.349845 O\n0.380428 0.704407 0.849819 O\n0.879537 0.204286 0.150174 O\n0.880418 0.204291 0.650155 O\n",
"nsites": 36,
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"elements": [
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"Mn",
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],
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"density": 2.5536779424943297,
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"volume": 548.5404704995038,
"volume_molar": 9.176077571957334,
"formula_full": "Na16 Mn4 O16",
"formula_reduced": "Na4MnO4",
"formula_anonymous": "AB4C4",
"energy": -198.02056465,
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"spacegroup": 7
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{
"id": "mp-1195792",
"created_at": "2022-09-04T14:40:30.742318Z",
"structure_string": "Tm4 Co20 P12\n1.0\n3.629335 0.000000 0.000000\n0.000000 10.260262 0.000000\n0.000000 0.000000 11.690139\nTm Co P\n4 20 12\ndirect\n0.250000 0.582872 0.703006 Tm\n0.250000 0.917128 0.203006 Tm\n0.750000 0.417128 0.296994 Tm\n0.750000 0.082872 0.796994 Tm\n0.250000 0.716687 0.990388 Co\n0.250000 0.783313 0.490388 Co\n0.750000 0.283313 0.009612 Co\n0.750000 0.216687 0.509612 Co\n0.250000 0.406990 0.486964 Co\n0.250000 0.093010 0.986964 Co\n0.750000 0.593010 0.513036 Co\n0.750000 0.906990 0.013036 Co\n0.250000 0.220924 0.176476 Co\n0.250000 0.279076 0.676476 Co\n0.750000 0.779076 0.823524 Co\n0.750000 0.720924 0.323524 Co\n0.250000 0.882799 0.698507 Co\n0.250000 0.617201 0.198507 Co\n0.750000 0.117201 0.301493 Co\n0.750000 0.382799 0.801493 Co\n0.250000 0.467385 0.931343 Co\n0.250000 0.032615 0.431343 Co\n0.750000 0.532615 0.068657 Co\n0.750000 0.967385 0.568657 Co\n0.250000 0.418158 0.112527 P\n0.250000 0.081842 0.612527 P\n0.750000 0.581842 0.887473 P\n0.750000 0.918158 0.387473 P\n0.250000 0.269303 0.870012 P\n0.250000 0.230697 0.370012 P\n0.750000 0.730697 0.129988 P\n0.750000 0.769303 0.629988 P\n0.250000 0.600829 0.390449 P\n0.250000 0.899171 0.890449 P\n0.750000 0.399171 0.609551 P\n0.750000 0.100829 0.109551 P\n",
"nsites": 36,
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"elements": [
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"density": 8.491527694287397,
"density_atomic": 0.08269844013636983,
"volume": 435.3165542256414,
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"formula_full": "Tm4 Co20 P12",
"formula_reduced": "TmCo5P3",
"formula_anonymous": "AB3C5",
"energy": -255.78697664,
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"updated_at": "2021-11-28T01:34:59.340000Z",
"spacegroup": 62
},
{
"id": "mp-774306",
"created_at": "2022-09-04T14:40:30.749135Z",
"structure_string": "Li4 Cr4 P4 O20\n1.0\n7.144838 0.000000 -0.062388\n0.000000 10.330963 0.000000\n-1.618930 0.000000 4.710097\nLi Cr P O\n4 4 4 20\ndirect\n0.166958 0.102153 0.125640 Li\n0.333042 0.602153 0.374360 Li\n0.666958 0.397847 0.625640 Li\n0.833042 0.897847 0.874360 Li\n0.178404 0.927003 0.617475 Cr\n0.321596 0.427003 0.882525 Cr\n0.678404 0.572997 0.117475 Cr\n0.821596 0.072997 0.382525 Cr\n0.028391 0.348663 0.218255 P\n0.528391 0.151337 0.718255 P\n0.471609 0.848663 0.281745 P\n0.971609 0.651337 0.781745 P\n0.030767 0.781888 0.685949 O\n0.148284 0.310441 0.020459 O\n0.999467 0.956035 0.270610 O\n0.159868 0.573698 0.948438 O\n0.159034 0.429951 0.472387 O\n0.340132 0.073698 0.551562 O\n0.351716 0.810441 0.479541 O\n0.469233 0.281888 0.814051 O\n0.340966 0.929951 0.027613 O\n0.499467 0.543965 0.770610 O\n0.500533 0.456035 0.229390 O\n0.659034 0.070049 0.972387 O\n0.530767 0.718112 0.185949 O\n0.648284 0.189559 0.520459 O\n0.659868 0.926302 0.448438 O\n0.840966 0.570049 0.527613 O\n0.840132 0.426302 0.051562 O\n0.000533 0.043965 0.729390 O\n0.851716 0.689559 0.979541 O\n0.969233 0.218112 0.314051 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 3.2558539922877756,
"density_atomic": 0.09231926438973505,
"volume": 346.62321251725734,
"volume_molar": 6.523168051444743,
"formula_full": "Li4 Cr4 P4 O20",
"formula_reduced": "LiCrPO5",
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"spacegroup": 14
},
{
"id": "mp-1221631",
"created_at": "2022-09-04T14:40:30.768738Z",
"structure_string": "Mn1 Co1 Sn1 Pd1\n1.0\n0.000000 3.122164 3.122164\n3.122164 0.000000 3.122164\n3.122164 3.122164 0.000000\nMn Co Sn Pd\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Sn\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 9.248115673231563,
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"formula_full": "Mn1 Co1 Sn1 Pd1",
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"energy": -26.17258706,
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"spacegroup": 216
},
{
"id": "mp-1228717",
"created_at": "2022-09-04T14:40:30.769811Z",
"structure_string": "Ca13 Nb3 Si8 O36\n1.0\n7.382453 0.000000 0.000000\n-0.033077 -10.536308 0.000000\n-3.647574 0.002603 -10.369875\nCa Nb Si O\n13 3 8 36\ndirect\n0.032440 0.907813 0.067440 Ca\n0.962207 0.419825 0.924885 Ca\n0.963892 0.101960 0.433339 Ca\n0.033748 0.597647 0.572278 Ca\n0.461670 0.103122 0.434069 Ca\n0.527697 0.587985 0.556994 Ca\n0.345311 0.628032 0.188245 Ca\n0.677207 0.125505 0.830231 Ca\n0.532126 0.906022 0.061425 Ca\n0.475873 0.406616 0.940215 Ca\n0.167390 0.386098 0.332918 Ca\n0.649713 0.380290 0.312685 Ca\n0.325924 0.888715 0.670804 Ca\n0.843084 0.891700 0.685935 Nb\n0.850314 0.615711 0.192077 Nb\n0.159104 0.119970 0.819906 Nb\n0.227815 0.813909 0.389139 Si\n0.776946 0.314981 0.621712 Si\n0.657188 0.834318 0.371923 Si\n0.343650 0.314508 0.629601 Si\n0.772477 0.196480 0.112887 Si\n0.228101 0.695814 0.882089 Si\n0.338391 0.180772 0.122045 Si\n0.656589 0.686396 0.875123 Si\n0.207319 0.960793 0.426452 O\n0.812799 0.465580 0.613048 O\n0.610625 0.526595 0.128964 O\n0.389645 0.023238 0.853862 O\n0.247577 0.773445 0.014024 O\n0.769455 0.281117 0.986612 O\n0.907795 0.241990 0.254666 O\n0.071682 0.753423 0.749090 O\n0.254622 0.727996 0.517955 O\n0.747638 0.239600 0.487583 O\n0.025964 0.523074 0.132841 O\n0.951264 0.993744 0.851813 O\n0.069957 0.764348 0.253910 O\n0.930950 0.248328 0.750106 O\n0.338912 0.242961 0.256622 O\n0.694638 0.759164 0.753310 O\n0.430567 0.795602 0.354796 O\n0.579439 0.289744 0.661847 O\n0.679160 0.762308 0.245608 O\n0.323506 0.264332 0.766279 O\n0.787688 0.777694 0.515602 O\n0.238188 0.227350 0.504416 O\n0.437928 0.504490 0.360256 O\n0.613342 0.989132 0.640396 O\n0.922134 0.535162 0.354596 O\n0.039600 0.006583 0.651177 O\n0.777178 0.748684 0.015966 O\n0.196747 0.243239 0.984556 O\n0.551507 0.230481 0.116335 O\n0.429558 0.732343 0.849311 O\n0.784953 0.047217 0.074350 O\n0.210271 0.544360 0.900485 O\n0.681894 0.985502 0.366735 O\n0.291880 0.462582 0.598850 O\n0.312120 0.028311 0.116467 O\n0.672642 0.535293 0.863149 O\n",
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"elements": [
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],
"chemical_system": "Ca-Nb-O-Si",
"density": 3.2946839498439435,
"density_atomic": 0.07438555038411186,
"volume": 806.6082685437185,
"volume_molar": 8.095847552250255,
"formula_full": "Ca13 Nb3 Si8 O36",
"formula_reduced": "Ca13Nb3(Si2O9)4",
"formula_anonymous": "A3B8C13D36",
"energy": -481.41717423,
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"energy_uncorrected": -456.68517423,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.858000Z",
"spacegroup": 1
},
{
"id": "mp-759457",
"created_at": "2022-09-04T14:40:30.746499Z",
"structure_string": "Li8 Nb1 Ni3 P6 O24\n1.0\n7.587831 -4.439366 0.000000\n7.587831 4.439366 0.000000\n4.990519 0.000000 7.237256\nLi Nb Ni P O\n8 1 3 6 24\ndirect\n0.650739 0.310130 0.833009 Li\n0.310130 0.833009 0.650739 Li\n0.833009 0.650739 0.310130 Li\n0.974026 0.974026 0.974026 Li\n0.158492 0.332729 0.697576 Li\n0.477321 0.477321 0.477321 Li\n0.697576 0.158492 0.332729 Li\n0.332729 0.697576 0.158492 Li\n0.146345 0.146345 0.146345 Nb\n0.650527 0.650527 0.650527 Ni\n0.852226 0.852226 0.852226 Ni\n0.347994 0.347994 0.347994 Ni\n0.247913 0.554630 0.953700 P\n0.953700 0.247913 0.554630 P\n0.554630 0.953700 0.247913 P\n0.460003 0.045814 0.746196 P\n0.045814 0.746196 0.460003 P\n0.746196 0.460003 0.045814 P\n0.125182 0.272564 0.533440 O\n0.533440 0.125182 0.272564 O\n0.272564 0.533440 0.125182 O\n0.000809 0.179367 0.399044 O\n0.399044 0.000809 0.179367 O\n0.110801 0.751386 0.895032 O\n0.179367 0.399044 0.000809 O\n0.428655 0.538530 0.784974 O\n0.895032 0.110801 0.751386 O\n0.784974 0.428655 0.538530 O\n0.538530 0.784974 0.428655 O\n0.613168 0.010349 0.804000 O\n0.261279 0.100549 0.893809 O\n0.010349 0.804000 0.613168 O\n0.751386 0.895032 0.110801 O\n0.452853 0.222806 0.570082 O\n0.222806 0.570082 0.452853 O\n0.100549 0.893809 0.261279 O\n0.570082 0.452853 0.222806 O\n0.804000 0.613168 0.010349 O\n0.893809 0.261279 0.100549 O\n0.719940 0.468290 0.880804 O\n0.468290 0.880804 0.719940 O\n0.880804 0.719940 0.468290 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
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],
"chemical_system": "Li-Nb-Ni-O-P",
"density": 3.0458643476677163,
"density_atomic": 0.08614037512120344,
"volume": 487.5762375181683,
"volume_molar": 6.991077937060958,
"formula_full": "Li8 Nb1 Ni3 P6 O24",
"formula_reduced": "Li8NbNi3(PO4)6",
"formula_anonymous": "AB3C6D8E24",
"energy": -298.71612882,
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"formation_energy": null,
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"energy_uncorrected": -274.60512882,
"band_gap": 0.2894999999999994,
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"updated_at": "2021-11-28T01:35:01.676000Z",
"spacegroup": 146
},
{
"id": "mp-758372",
"created_at": "2022-09-04T14:40:30.780010Z",
"structure_string": "Li8 Co4 Si4 O16\n1.0\n7.359907 -0.000009 -0.000019\n-3.679966 -3.819675 6.304722\n0.000010 -7.639136 0.000139\nLi Co Si O\n8 4 4 16\ndirect\n0.568651 0.499990 0.750032 Li\n0.068686 0.499991 0.250004 Li\n0.681352 0.000017 0.999928 Li\n0.181349 0.000010 0.500056 Li\n0.875017 0.750028 0.937956 Li\n0.374978 0.749965 0.438049 Li\n0.624980 0.249955 0.562036 Li\n0.125024 0.250055 0.061944 Li\n0.624990 0.250004 0.196386 Co\n0.874989 0.750001 0.303623 Co\n0.125007 0.249981 0.696320 Co\n0.375006 0.750007 0.803747 Co\n0.324024 0.999926 0.999971 Si\n0.824093 0.000092 0.499999 Si\n0.925909 0.499972 0.750032 Si\n0.425946 0.500005 0.249969 Si\n0.304800 0.215896 0.893460 O\n0.804892 0.216075 0.393546 O\n0.588863 0.784146 0.606537 O\n0.088868 0.783937 0.106364 O\n0.161175 0.715898 0.640635 O\n0.661087 0.716008 0.140291 O\n0.945294 0.284079 0.859434 O\n0.445089 0.283982 0.359581 O\n0.463134 0.000986 0.170367 O\n0.963069 0.001027 0.670516 O\n0.962185 0.999076 0.329627 O\n0.462137 0.999012 0.829490 O\n0.786879 0.499081 0.921390 O\n0.286949 0.499034 0.421431 O\n0.787758 0.500861 0.578699 O\n0.287818 0.500905 0.078581 O\n",
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"elements": [
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],
"chemical_system": "Co-Li-O-Si",
"density": 3.0899267628201845,
"density_atomic": 0.09027612522118464,
"volume": 354.46802708464855,
"volume_molar": 6.670801106322644,
"formula_full": "Li8 Co4 Si4 O16",
"formula_reduced": "Li2CoSiO4",
"formula_anonymous": "ABC2D4",
"energy": -224.72091598,
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"is_magnetic": true,
"total_magnetization": 4.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.354000Z",
"spacegroup": 20
}
]
}