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{
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"results": [
{
"id": "mp-1233527",
"created_at": "2022-09-04T14:40:26.601883Z",
"structure_string": "Sr2 Pr2 Mg1 Fe2 Ru2 O12\n1.0\n-0.064375 -6.063912 0.080892\n-5.566992 -0.078825 -0.009989\n-0.027566 0.110530 -8.360038\nSr Pr Mg Fe Ru O\n2 2 1 2 2 12\ndirect\n0.575423 0.528720 0.738669 Sr\n0.925954 0.056707 0.273700 Sr\n0.057157 0.969554 0.732959 Pr\n0.390805 0.474066 0.296838 Pr\n0.783408 0.614079 0.103421 Mg\n0.149419 0.446774 0.936981 Fe\n0.497036 0.008663 0.527744 Fe\n0.984000 0.507365 0.509017 Ru\n0.497278 0.015180 0.999729 Ru\n0.971981 0.397130 0.746792 O\n0.434334 0.121702 0.770792 O\n0.009971 0.593782 0.272212 O\n0.559391 0.836434 0.214063 O\n0.185309 0.214002 0.478745 O\n0.652763 0.302818 0.076463 O\n0.780377 0.844197 0.926557 O\n0.275422 0.711077 0.544869 O\n0.793432 0.800452 0.547724 O\n0.302269 0.740906 0.929261 O\n0.222065 0.197075 0.089164 O\n0.690300 0.309790 0.467633 O\n",
"nsites": 21,
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"elements": [
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"Pr",
"Mg",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-Mg-O-Pr-Ru-Sr",
"density": 5.810452059747056,
"density_atomic": 0.07443589381721996,
"volume": 282.1219565330439,
"volume_molar": 8.090372065374249,
"formula_full": "Sr2 Pr2 Mg1 Fe2 Ru2 O12",
"formula_reduced": "Sr2Pr2MgFe2(RuO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -159.19577372,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:07.611000Z",
"spacegroup": 1
},
{
"id": "mp-542129",
"created_at": "2022-09-04T14:39:38.837816Z",
"structure_string": "Cs4 Al4 B4 P8 H4 O36\n1.0\n8.816717 0.000000 0.000000\n0.000000 9.361546 0.000000\n0.000000 2.413618 9.287646\nCs Al B P H O\n4 4 4 8 4 36\ndirect\n0.617742 0.304588 0.556539 Cs\n0.117742 0.695412 0.943461 Cs\n0.382258 0.695412 0.443461 Cs\n0.882258 0.304588 0.056539 Cs\n0.153504 0.302897 0.427673 Al\n0.653504 0.697103 0.072327 Al\n0.846496 0.697103 0.572327 Al\n0.346496 0.302897 0.927673 Al\n0.966815 0.156318 0.701319 B\n0.466815 0.843682 0.798681 B\n0.033185 0.843682 0.298681 B\n0.533185 0.156318 0.201319 B\n0.073895 0.428457 0.700584 P\n0.573895 0.571543 0.799416 P\n0.926105 0.571543 0.299416 P\n0.426105 0.428457 0.200584 P\n0.772251 0.910973 0.782640 P\n0.272251 0.089027 0.717360 P\n0.227749 0.089027 0.217360 P\n0.727749 0.910973 0.282640 P\n0.945044 0.105769 0.502301 H\n0.445044 0.894231 0.997699 H\n0.054956 0.894231 0.497699 H\n0.554956 0.105769 0.002301 H\n0.951144 0.299274 0.736353 O\n0.451144 0.700726 0.763647 O\n0.048856 0.700726 0.263647 O\n0.548856 0.299274 0.236353 O\n0.101771 0.070915 0.767896 O\n0.601771 0.929085 0.732104 O\n0.898229 0.929085 0.232104 O\n0.398229 0.070915 0.267896 O\n0.181360 0.405023 0.830351 O\n0.681360 0.594977 0.669649 O\n0.818640 0.594977 0.169649 O\n0.318640 0.405023 0.330351 O\n0.827578 0.075147 0.755861 O\n0.327578 0.924853 0.744139 O\n0.172422 0.924853 0.244139 O\n0.672422 0.075147 0.255861 O\n0.782086 0.836974 0.943109 O\n0.282086 0.163026 0.556891 O\n0.217914 0.163026 0.056891 O\n0.717914 0.836974 0.443109 O\n0.866458 0.834661 0.688526 O\n0.366458 0.165339 0.811474 O\n0.133542 0.165339 0.311474 O\n0.633542 0.834661 0.188526 O\n0.989964 0.573759 0.690565 O\n0.489964 0.426241 0.809435 O\n0.010036 0.426241 0.309435 O\n0.510036 0.573759 0.190565 O\n0.155742 0.421674 0.561372 O\n0.655742 0.578326 0.938628 O\n0.844258 0.578326 0.438628 O\n0.344258 0.421674 0.061372 O\n0.974680 0.188910 0.539940 O\n0.474680 0.811090 0.960060 O\n0.025320 0.811090 0.460060 O\n0.525320 0.188910 0.039940 O\n",
"nsites": 60,
"nelements": 6,
"elements": [
"Cs",
"Al",
"B",
"P",
"H",
"O"
],
"chemical_system": "Al-B-Cs-H-O-P",
"density": 3.272172647802672,
"density_atomic": 0.07826924055913306,
"volume": 766.5846707004843,
"volume_molar": 7.6941346523609395,
"formula_full": "Cs4 Al4 B4 P8 H4 O36",
"formula_reduced": "CsAlBP2HO9",
"formula_anonymous": "ABCDE2F9",
"energy": -446.16007202,
"energy_per_atom": -7.436001200333333,
"energy_above_hull": null,
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"energy_uncorrected": -421.42807202,
"band_gap": 5.2653,
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"is_magnetic": false,
"total_magnetization": 0.000806,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.529000Z",
"spacegroup": 14
},
{
"id": "mp-764931",
"created_at": "2022-09-04T14:39:23.387276Z",
"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n10.417476 0.000000 0.021592\n0.000000 6.100445 0.000000\n0.029809 0.000000 14.315625\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.996023 0.499501 0.667157 Li\n0.999522 0.000838 0.999121 Li\n0.999522 0.499162 0.999121 Li\n0.997078 0.998697 0.333818 Li\n0.997078 0.501303 0.333818 Li\n0.996023 0.000499 0.667157 Li\n0.503066 0.999812 0.500472 Li\n0.503066 0.500188 0.500472 Li\n0.501458 0.999894 0.165454 Li\n0.501458 0.500106 0.165454 Li\n0.503192 0.999712 0.833705 Li\n0.503192 0.500288 0.833705 Li\n0.218474 0.750000 0.159275 Mn\n0.219209 0.750000 0.494028 Mn\n0.281903 0.250000 0.660648 Mn\n0.281327 0.250000 0.326384 Mn\n0.217330 0.750000 0.826655 Fe\n0.282735 0.250000 0.990681 Fe\n0.718887 0.750000 0.008449 Fe\n0.719327 0.750000 0.342027 Fe\n0.722770 0.750000 0.671274 Co\n0.780861 0.250000 0.839427 Co\n0.776997 0.250000 0.504828 Co\n0.780975 0.250000 0.172335 Co\n0.093072 0.250000 0.807463 P\n0.092829 0.250000 0.137747 P\n0.090025 0.250000 0.472912 P\n0.409126 0.750000 0.305392 P\n0.408757 0.750000 0.640079 P\n0.405456 0.750000 0.971712 P\n0.598101 0.250000 0.360539 P\n0.595490 0.250000 0.026772 P\n0.599248 0.250000 0.694797 P\n0.901936 0.750000 0.860321 P\n0.902350 0.750000 0.194460 P\n0.901785 0.750000 0.528155 P\n0.040511 0.750000 0.235789 O\n0.039940 0.750000 0.569283 O\n0.040821 0.750000 0.900723 O\n0.095563 0.250000 0.580319 O\n0.097524 0.250000 0.914632 O\n0.097168 0.250000 0.245319 O\n0.163461 0.048497 0.092453 O\n0.163461 0.451503 0.092453 O\n0.160224 0.048014 0.427489 O\n0.160224 0.451986 0.427489 O\n0.163956 0.046977 0.762868 O\n0.163956 0.453023 0.762868 O\n0.339706 0.547947 0.594155 O\n0.339706 0.952053 0.594155 O\n0.339156 0.547623 0.260862 O\n0.339156 0.952377 0.260862 O\n0.334288 0.547204 0.927731 O\n0.334288 0.952796 0.927731 O\n0.404531 0.750000 0.412992 O\n0.402813 0.750000 0.079135 O\n0.401821 0.750000 0.747376 O\n0.460378 0.250000 0.403030 O\n0.456500 0.250000 0.067207 O\n0.460285 0.250000 0.735260 O\n0.547556 0.750000 0.264318 O\n0.543664 0.750000 0.930319 O\n0.548885 0.750000 0.600241 O\n0.600768 0.250000 0.253121 O\n0.600033 0.250000 0.919372 O\n0.602376 0.250000 0.586512 O\n0.665864 0.047670 0.072042 O\n0.669139 0.047735 0.405598 O\n0.668300 0.046803 0.739973 O\n0.668300 0.453197 0.739973 O\n0.665864 0.452330 0.072042 O\n0.669139 0.452265 0.405598 O\n0.832263 0.545442 0.904725 O\n0.832263 0.954558 0.904725 O\n0.832511 0.545272 0.238926 O\n0.831288 0.546742 0.573428 O\n0.832511 0.954728 0.238926 O\n0.831288 0.953258 0.573428 O\n0.899225 0.750000 0.752371 O\n0.901126 0.750000 0.420617 O\n0.900279 0.750000 0.086865 O\n0.954486 0.250000 0.767170 O\n0.953286 0.250000 0.098441 O\n0.950500 0.250000 0.433279 O\n",
"nsites": 84,
"nelements": 6,
"elements": [
"Li",
"Mn",
"Fe",
"Co",
"P",
"O"
],
"chemical_system": "Co-Fe-Li-Mn-O-P",
"density": 3.471238987237175,
"density_atomic": 0.09233084759181809,
"volume": 909.77178473821,
"volume_molar": 6.5223496990118095,
"formula_full": "Li12 Mn4 Fe4 Co4 P12 O48",
"formula_reduced": "Li3MnFeCo(PO4)3",
"formula_anonymous": "ABCD3E3F12",
"energy": -633.82381948,
"energy_per_atom": -7.54552166047619,
"energy_above_hull": null,
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"energy_uncorrected": -578.59981948,
"band_gap": 2.0595000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 47.9999991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.727000Z",
"spacegroup": 6
},
{
"id": "mp-1194719",
"created_at": "2022-09-04T14:41:31.147323Z",
"structure_string": "Cs2 Na4 Fe6 P8 Cl2 O28\n1.0\n2.648375 10.588129 0.000000\n-2.648375 10.588129 0.000000\n0.000000 6.647039 12.267800\nCs Na Fe P Cl O\n2 4 6 8 2 28\ndirect\n0.500000 0.500000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.248781 0.309024 0.150755 Na\n0.690976 0.751219 0.349245 Na\n0.751219 0.690976 0.849245 Na\n0.309024 0.248781 0.650755 Na\n0.666734 0.642973 0.156251 Fe\n0.357027 0.333266 0.343749 Fe\n0.333266 0.357027 0.843749 Fe\n0.642973 0.666734 0.656251 Fe\n0.937371 0.062629 0.250000 Fe\n0.062629 0.937371 0.750000 Fe\n0.179821 0.136984 0.006789 P\n0.863016 0.820179 0.493211 P\n0.820179 0.863016 0.993211 P\n0.136984 0.179821 0.506789 P\n0.869743 0.890668 0.175091 P\n0.109332 0.130257 0.324909 P\n0.130257 0.109332 0.824909 P\n0.890668 0.869743 0.675091 P\n0.461914 0.538086 0.250000 Cl\n0.538086 0.461914 0.750000 Cl\n0.951701 0.964683 0.152214 O\n0.035317 0.048299 0.347786 O\n0.048299 0.035317 0.847786 O\n0.964683 0.951701 0.652214 O\n0.078265 0.138311 0.948095 O\n0.861689 0.921735 0.551905 O\n0.921735 0.861689 0.051905 O\n0.138311 0.078265 0.448095 O\n0.889063 0.424356 0.285022 O\n0.575644 0.110937 0.214978 O\n0.110937 0.575644 0.714978 O\n0.424356 0.889063 0.785022 O\n0.985979 0.252768 0.112498 O\n0.747232 0.014021 0.387502 O\n0.014021 0.747232 0.887502 O\n0.252768 0.985979 0.612498 O\n0.464150 0.848788 0.026631 O\n0.151212 0.535850 0.473369 O\n0.535850 0.151212 0.973369 O\n0.848788 0.464150 0.526631 O\n0.042412 0.624965 0.245317 O\n0.375035 0.957588 0.254683 O\n0.957588 0.375035 0.754683 O\n0.624965 0.042412 0.745317 O\n0.847269 0.688099 0.073095 O\n0.311901 0.152731 0.426905 O\n0.152731 0.311901 0.926905 O\n0.688099 0.847269 0.573095 O\n",
"nsites": 50,
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"elements": [
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"Na",
"Fe",
"P",
"Cl",
"O"
],
"chemical_system": "Cl-Cs-Fe-Na-O-P",
"density": 3.5226017507029,
"density_atomic": 0.07267325593757483,
"volume": 688.0110070057849,
"volume_molar": 8.286598257236367,
"formula_full": "Cs2 Na4 Fe6 P8 Cl2 O28",
"formula_reduced": "CsNa2Fe3P4ClO14",
"formula_anonymous": "ABC2D3E4F14",
"energy": -365.41587624,
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"updated_at": "2021-11-28T01:35:29.775000Z",
"spacegroup": 15
},
{
"id": "mp-24680",
"created_at": "2022-09-04T14:41:35.201058Z",
"structure_string": "Rb1 H18 Ru1 N6 Cl4 O8\n1.0\n9.501016 -3.642694 0.000000\n9.501016 3.642694 0.000000\n8.104405 0.000000 6.152816\nRb H Ru N Cl O\n1 18 1 6 4 8\ndirect\n0.500000 0.500000 0.500000 Rb\n0.647160 0.016624 0.115323 H\n0.884677 0.352840 0.983376 H\n0.983376 0.884677 0.352840 H\n0.352840 0.983376 0.884677 H\n0.115323 0.647160 0.016624 H\n0.016624 0.115323 0.647160 H\n0.738661 0.061102 0.358876 H\n0.567864 0.170794 0.193140 H\n0.170794 0.193140 0.567864 H\n0.193140 0.567864 0.170794 H\n0.432136 0.829206 0.806860 H\n0.061102 0.358876 0.738661 H\n0.806860 0.432136 0.829206 H\n0.641124 0.261339 0.938898 H\n0.261339 0.938898 0.641124 H\n0.938898 0.641124 0.261339 H\n0.358876 0.738661 0.061102 H\n0.829206 0.806860 0.432136 H\n0.000000 0.000000 0.000000 Ru\n0.930690 0.321189 0.876025 N\n0.678811 0.123975 0.069310 N\n0.876025 0.930690 0.321189 N\n0.321189 0.876025 0.930690 N\n0.069310 0.678811 0.123975 N\n0.123975 0.069310 0.678811 N\n0.813934 0.813934 0.813934 Cl\n0.186066 0.186066 0.186066 Cl\n0.626849 0.626849 0.626849 Cl\n0.373151 0.373151 0.373151 Cl\n0.663107 0.012668 0.712486 O\n0.712486 0.663107 0.012668 O\n0.012668 0.712486 0.663107 O\n0.336893 0.987332 0.287514 O\n0.866461 0.866461 0.866461 O\n0.987332 0.287514 0.336893 O\n0.287514 0.336893 0.987332 O\n0.133539 0.133539 0.133539 O\n",
"nsites": 38,
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"elements": [
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"H",
"Ru",
"N",
"Cl",
"O"
],
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"volume": 425.88923546205825,
"volume_molar": 6.749381379266575,
"formula_full": "Rb1 H18 Ru1 N6 Cl4 O8",
"formula_reduced": "RbH18RuN6(ClO2)4",
"formula_anonymous": "ABC4D6E8F18",
"energy": -195.23700219,
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"spacegroup": 148
},
{
"id": "mp-1235518",
"created_at": "2022-09-04T14:41:35.190174Z",
"structure_string": "K2 Ba1 Li1 Co1 N6 O12\n1.0\n6.779170 0.171409 -3.755518\n-2.239152 6.415983 -4.087898\n0.115832 -0.238543 7.840422\nK Ba Li Co N O\n2 1 1 1 6 12\ndirect\n0.194861 0.715764 0.491739 K\n0.770537 0.311930 0.490027 K\n0.498013 0.487821 0.980805 Ba\n0.574133 0.923011 0.482778 Li\n0.005604 0.997416 0.998052 Co\n0.197721 0.808644 0.998687 N\n0.813249 0.186883 0.995675 N\n0.188484 0.196281 0.378525 N\n0.823617 0.802003 0.623636 N\n0.201703 0.195744 0.002214 N\n0.811401 0.808778 0.004510 N\n0.659214 0.153046 0.801831 O\n0.843890 0.351459 0.191262 O\n0.169021 0.646120 0.803239 O\n0.348504 0.842005 0.192468 O\n0.346333 0.143913 0.970193 O\n0.636431 0.687691 0.513374 O\n0.833613 0.635344 0.970720 O\n0.671314 0.863697 0.042368 O\n0.838888 0.866441 0.508831 O\n0.358273 0.338087 0.498191 O\n0.148966 0.167539 0.502405 O\n0.182303 0.370387 0.041803 O\n",
"nsites": 23,
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"elements": [
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"Ba",
"Li",
"Co",
"N",
"O"
],
"chemical_system": "Ba-Co-K-Li-N-O",
"density": 2.7375790662212336,
"density_atomic": 0.06802279180405704,
"volume": 338.12196456523895,
"volume_molar": 8.853122020259134,
"formula_full": "K2 Ba1 Li1 Co1 N6 O12",
"formula_reduced": "K2BaLiCo(NO2)6",
"formula_anonymous": "ABCD2E6F12",
"energy": -150.23673967,
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"spacegroup": 1
},
{
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"total_magnetization": 14.3290675,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.337000Z",
"spacegroup": 6
},
{
"id": "mp-1217377",
"created_at": "2022-09-04T14:39:39.058724Z",
"structure_string": "Zn15 Te5 As2 P8 Pb15 O70\n1.0\n0.000037 0.000128 -5.278915\n-4.290543 -7.430918 0.000202\n-30.029226 22.290111 -0.000291\nZn Te As P Pb O\n15 5 2 8 15 70\ndirect\n0.500272 0.749527 0.000125 Zn\n0.499984 0.349435 0.200000 Zn\n0.500026 0.949395 0.399987 Zn\n0.503260 0.553784 0.598574 Zn\n0.503658 0.153871 0.798697 Zn\n0.500027 0.700270 0.149883 Zn\n0.500095 0.300224 0.349870 Zn\n0.500025 0.900215 0.549776 Zn\n0.503613 0.503354 0.751541 Zn\n0.503589 0.103421 0.951657 Zn\n0.499618 0.150423 0.050221 Zn\n0.499975 0.750384 0.250127 Zn\n0.499933 0.350397 0.450094 Zn\n0.503913 0.942754 0.649656 Zn\n0.503639 0.542772 0.849777 Zn\n0.000064 0.999899 0.000195 Te\n-0.000005 0.600006 0.200015 Te\n0.000010 0.199984 0.399941 Te\n0.000163 0.800100 0.599828 Te\n0.000205 0.399837 0.799979 Te\n0.462089 0.333345 0.666607 As\n0.462244 0.933293 0.866693 As\n0.540967 0.066688 0.133339 P\n0.540745 0.666700 0.333336 P\n0.541062 0.266424 0.533170 P\n0.541115 0.866603 0.733324 P\n0.540940 0.466932 0.933485 P\n0.459140 0.533308 0.066689 P\n0.459068 0.133318 0.266646 P\n0.458993 0.733368 0.466645 P\n0.999848 0.358657 0.119552 Pb\n0.000216 0.958625 0.319532 Pb\n0.999682 0.558799 0.519327 Pb\n0.001911 0.156957 0.719678 Pb\n0.002056 0.756951 0.919916 Pb\n0.999929 0.002165 0.200000 Pb\n0.000087 0.602233 0.400015 Pb\n0.002125 0.201852 0.599392 Pb\n0.001963 0.802357 0.799593 Pb\n0.999862 0.402743 0.000203 Pb\n0.000050 0.839049 0.080512 Pb\n0.000068 0.439021 0.280464 Pb\n0.000099 0.038958 0.480405 Pb\n0.001771 0.640873 0.680698 Pb\n0.002017 0.240918 0.880796 Pb\n0.249255 0.066712 0.133348 O\n0.249455 0.666710 0.333336 O\n0.249373 0.266908 0.533257 O\n0.249821 0.866699 0.733332 O\n0.249736 0.466491 0.933414 O\n0.750695 0.533225 0.066683 O\n0.750692 0.133307 0.266653 O\n0.750748 0.733418 0.466644 O\n0.786177 0.333363 0.666636 O\n0.786134 0.933194 0.866690 O\n0.788648 0.858405 0.024775 O\n0.788732 0.458469 0.224644 O\n0.788768 0.058407 0.424624 O\n0.787742 0.659552 0.624549 O\n0.787696 0.259500 0.824697 O\n0.788715 0.563023 0.156921 O\n0.788819 0.162972 0.356901 O\n0.787113 0.762441 0.556868 O\n0.787711 0.362375 0.757089 O\n0.789288 0.963055 0.957139 O\n0.787239 0.178357 0.018406 O\n0.788710 0.778510 0.218457 O\n0.788746 0.378480 0.418439 O\n0.789174 0.978204 0.618281 O\n0.787665 0.578053 0.818238 O\n0.211028 0.006108 0.043266 O\n0.211254 0.606128 0.243097 O\n0.211259 0.206091 0.443080 O\n0.210365 0.804567 0.642842 O\n0.210214 0.404614 0.843025 O\n0.211233 0.433882 0.175367 O\n0.211273 0.033810 0.375366 O\n0.210063 0.634857 0.574734 O\n0.210148 0.234710 0.775115 O\n0.211285 0.833736 0.975740 O\n0.211277 0.760068 0.181548 O\n0.211280 0.360021 0.381535 O\n0.211156 0.959373 0.581238 O\n0.210196 0.560651 0.781882 O\n0.210341 0.161381 0.982199 O\n0.655254 0.087446 0.095450 O\n0.655257 0.687421 0.295413 O\n0.655166 0.287056 0.495288 O\n0.655781 0.886918 0.695474 O\n0.655828 0.487323 0.895630 O\n0.655260 0.202464 0.160240 O\n0.655306 0.802415 0.360231 O\n0.656484 0.402076 0.559978 O\n0.655885 0.002349 0.760097 O\n0.654561 0.602780 0.960355 O\n0.655166 0.910195 0.144359 O\n0.655249 0.510126 0.344339 O\n0.654508 0.109976 0.544219 O\n0.655731 0.710736 0.744406 O\n0.656424 0.310925 0.944553 O\n0.344791 0.642055 0.039796 O\n0.344782 0.242165 0.239762 O\n0.344732 0.842184 0.439741 O\n0.327623 0.452038 0.637359 O\n0.327643 0.051902 0.837410 O\n0.344834 0.591998 0.104606 O\n0.344749 0.191975 0.304569 O\n0.344668 0.791950 0.504515 O\n0.327618 0.397102 0.707930 O\n0.327788 0.997134 0.908028 O\n0.344674 0.365836 0.055686 O\n0.344754 0.965790 0.255641 O\n0.344874 0.565785 0.455629 O\n0.327728 0.150901 0.654608 O\n0.327549 0.750960 0.854672 O\n",
"nsites": 115,
"nelements": 6,
"elements": [
"Zn",
"Te",
"As",
"P",
"Pb",
"O"
],
"chemical_system": "As-O-P-Pb-Te-Zn",
"density": 6.162045048646028,
"density_atomic": 0.068337675731843,
"volume": 1682.8198906158284,
"volume_molar": 8.812328917405496,
"formula_full": "Zn15 Te5 As2 P8 Pb15 O70",
"formula_reduced": "Zn15Te5As2P8(Pb3O14)5",
"formula_anonymous": "A2B5C8D15E15F70",
"energy": -721.46999097,
"energy_per_atom": -6.273652095391305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -673.37999097,
"band_gap": 3.1867,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044701,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.533000Z",
"spacegroup": 1
}
]
}