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{
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"results": [
{
"id": "mp-781712",
"created_at": "2022-09-04T14:41:49.206418Z",
"structure_string": "Na8 Sn4 O8\n1.0\n5.265917 0.000000 0.000000\n0.000000 6.697144 0.000000\n0.000000 0.000000 9.760577\nNa Sn O\n8 4 8\ndirect\n0.006878 0.620398 0.426672 Na\n0.008979 0.137002 0.754365 Na\n0.491021 0.862998 0.254365 Na\n0.493122 0.379602 0.926672 Na\n0.506878 0.879602 0.573328 Na\n0.508979 0.362998 0.245635 Na\n0.991021 0.637002 0.745635 Na\n0.993122 0.120398 0.073328 Na\n0.003577 0.098314 0.428411 Sn\n0.496423 0.901686 0.928411 Sn\n0.503577 0.401686 0.571589 Sn\n0.996423 0.598314 0.071589 Sn\n0.018471 0.890719 0.580935 O\n0.110320 0.338928 0.555545 O\n0.389680 0.661072 0.055545 O\n0.481529 0.109281 0.080935 O\n0.518471 0.609281 0.419065 O\n0.610320 0.161072 0.444455 O\n0.889680 0.838928 0.944455 O\n0.981529 0.390719 0.919065 O\n",
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"elements": [
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"formula_full": "Na8 Sn4 O8",
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"updated_at": "2021-11-28T01:35:28.747000Z",
"spacegroup": 19
},
{
"id": "mp-1027379",
"created_at": "2022-09-04T14:41:49.228361Z",
"structure_string": "Te2 Mo3 W1 S6\n1.0\n1.636159 -2.833911 0.000000\n1.636159 2.833911 0.000000\n0.000000 0.000000 39.050560\nTe Mo W S\n2 3 1 6\ndirect\n0.333333 0.666667 0.331127 Te\n0.333333 0.666667 0.232211 Te\n0.333333 0.666667 0.092938 Mo\n0.666667 0.333333 0.281688 Mo\n0.666667 0.333333 0.657626 Mo\n0.333333 0.666667 0.470668 W\n0.333333 0.666667 0.697073 S\n0.666667 0.333333 0.053551 S\n0.666667 0.333333 0.431074 S\n0.666667 0.333333 0.132362 S\n0.666667 0.333333 0.510239 S\n0.333333 0.666667 0.618191 S\n",
"nsites": 12,
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"elements": [
"Te",
"Mo",
"W",
"S"
],
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"density": 4.215157061588291,
"density_atomic": 0.03313693009627188,
"volume": 362.13372708747323,
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"formula_full": "Te2 Mo3 W1 S6",
"formula_reduced": "Te2Mo3WS6",
"formula_anonymous": "AB2C3D6",
"energy": -88.24249538999999,
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"updated_at": "2021-11-28T01:35:29.679000Z",
"spacegroup": 156
},
{
"id": "mp-1195665",
"created_at": "2022-09-04T14:41:49.236828Z",
"structure_string": "Na2 Mg6 P6 H4 O24\n1.0\n0.012038 0.000000 -6.561652\n-5.462951 -6.085904 2.416463\n-5.462951 6.085904 2.416463\nNa Mg P H O\n2 6 6 4 24\ndirect\n0.750000 0.025050 0.974950 Na\n0.250000 0.974950 0.025050 Na\n0.250000 0.276442 0.723558 Mg\n0.750000 0.723558 0.276442 Mg\n0.125656 0.374648 0.050206 Mg\n0.374344 0.949794 0.625352 Mg\n0.874344 0.625352 0.949794 Mg\n0.625656 0.050206 0.374648 Mg\n0.250000 0.684461 0.315539 P\n0.750000 0.315539 0.684461 P\n0.112829 0.105218 0.328481 P\n0.387171 0.671519 0.894782 P\n0.887171 0.894782 0.671519 P\n0.612829 0.328481 0.105218 P\n0.195588 0.374090 0.391099 H\n0.304412 0.608901 0.625910 H\n0.804412 0.625910 0.608901 H\n0.695588 0.391099 0.374090 H\n0.037127 0.721153 0.204382 O\n0.462873 0.795618 0.278847 O\n0.962873 0.278847 0.795618 O\n0.537127 0.204382 0.721153 O\n0.236120 0.500820 0.283466 O\n0.263880 0.716534 0.499180 O\n0.763880 0.499180 0.716534 O\n0.736120 0.283466 0.500820 O\n0.887803 0.982036 0.325990 O\n0.612197 0.674010 0.017964 O\n0.112197 0.017964 0.674010 O\n0.387803 0.325990 0.982036 O\n0.158789 0.265969 0.451683 O\n0.341211 0.548317 0.734031 O\n0.841211 0.734031 0.548317 O\n0.658789 0.451683 0.265969 O\n0.307635 0.034672 0.393810 O\n0.192365 0.606190 0.965328 O\n0.692365 0.965328 0.606190 O\n0.807635 0.393810 0.034672 O\n0.099090 0.157558 0.155151 O\n0.400910 0.844849 0.842442 O\n0.900910 0.842442 0.844849 O\n0.599090 0.155151 0.157558 O\n",
"nsites": 42,
"nelements": 5,
"elements": [
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"Mg",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-Na-O-P",
"density": 2.9164021781442298,
"density_atomic": 0.09633991881075356,
"volume": 435.9563566012879,
"volume_molar": 6.250929868261217,
"formula_full": "Na2 Mg6 P6 H4 O24",
"formula_reduced": "NaMg3P3(HO6)2",
"formula_anonymous": "AB2C3D3E12",
"energy": -291.28824922,
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"band_gap": 5.2188,
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"updated_at": "2021-11-28T01:35:24.692000Z",
"spacegroup": 15
},
{
"id": "mp-647305",
"created_at": "2022-09-04T14:41:49.250234Z",
"structure_string": "Si16 Ag80 Cl16 O64\n1.0\n12.987150 0.005763 0.000000\n-6.227495 11.442640 0.000000\n0.000000 0.000000 19.458328\nSi Ag Cl O\n16 80 16 64\ndirect\n0.677514 0.576609 0.608580 Si\n0.317241 0.930842 0.101812 Si\n0.817241 0.930842 0.398188 Si\n0.177514 0.576609 0.891420 Si\n0.564204 0.679513 0.102645 Si\n0.064204 0.679513 0.397355 Si\n0.682759 0.069158 0.898188 Si\n0.935796 0.320487 0.602645 Si\n0.569264 0.171190 0.394118 Si\n0.822486 0.423391 0.108580 Si\n0.322486 0.423391 0.391420 Si\n0.182759 0.069158 0.601812 Si\n0.430736 0.828810 0.605882 Si\n0.069264 0.171190 0.105882 Si\n0.930736 0.828810 0.894118 Si\n0.435796 0.320487 0.897355 Si\n0.580259 0.926242 0.751997 Ag\n0.501453 0.332495 0.292168 Ag\n0.553878 0.701231 0.393630 Ag\n0.056012 0.943441 0.462948 Ag\n0.946122 0.298769 0.893630 Ag\n0.558715 0.942566 0.463435 Ag\n0.449141 0.570317 0.533479 Ag\n0.074022 0.432572 0.747596 Ag\n0.332039 0.206684 0.056176 Ag\n0.047338 0.422367 0.452377 Ag\n0.452662 0.577633 0.952377 Ag\n0.181516 0.800461 0.960102 Ag\n0.318484 0.199539 0.460102 Ag\n0.080259 0.926242 0.748003 Ag\n0.193423 0.250462 0.257259 Ag\n0.815801 0.453915 0.700204 Ag\n0.941285 0.057434 0.963435 Ag\n0.184199 0.546085 0.299796 Ag\n0.693423 0.250462 0.242741 Ag\n0.681516 0.800461 0.539898 Ag\n0.456923 0.832882 0.199394 Ag\n0.296800 0.941765 0.399346 Ag\n0.796800 0.941765 0.100654 Ag\n0.446832 0.805225 0.902148 Ag\n0.704952 0.309592 0.533336 Ag\n0.425978 0.567428 0.247596 Ag\n0.354257 0.005860 0.702160 Ag\n0.058715 0.942566 0.036565 Ag\n0.732445 0.806046 0.241586 Ag\n0.043077 0.167118 0.699394 Ag\n0.001453 0.332495 0.207832 Ag\n0.446122 0.298769 0.606370 Ag\n0.767555 0.193954 0.741586 Ag\n0.553168 0.194775 0.097852 Ag\n0.574022 0.432572 0.752404 Ag\n0.203200 0.058235 0.899346 Ag\n0.998547 0.667505 0.792168 Ag\n0.498547 0.667505 0.707832 Ag\n0.791499 0.441551 0.396371 Ag\n0.795048 0.690408 0.033336 Ag\n0.315801 0.453915 0.799796 Ag\n0.952662 0.577633 0.547623 Ag\n0.667961 0.793317 0.943824 Ag\n0.232445 0.806046 0.258414 Ag\n0.767734 0.660435 0.446676 Ag\n0.053878 0.701231 0.106370 Ag\n0.291499 0.441551 0.103629 Ag\n0.919741 0.073758 0.251997 Ag\n0.419741 0.073758 0.248003 Ag\n0.684199 0.546085 0.200204 Ag\n0.306577 0.749538 0.757259 Ag\n0.050859 0.429683 0.033479 Ag\n0.167961 0.793317 0.556176 Ag\n0.550859 0.429683 0.466521 Ag\n0.145743 0.994140 0.202160 Ag\n0.556012 0.943441 0.037052 Ag\n0.053168 0.194775 0.402148 Ag\n0.543077 0.167118 0.800606 Ag\n0.832039 0.206684 0.443824 Ag\n0.956923 0.832882 0.300606 Ag\n0.806577 0.749538 0.742741 Ag\n0.547338 0.422367 0.047623 Ag\n0.232266 0.339565 0.553324 Ag\n0.267734 0.660435 0.053324 Ag\n0.204952 0.309592 0.966664 Ag\n0.854257 0.005860 0.797840 Ag\n0.208501 0.558449 0.603629 Ag\n0.943988 0.056559 0.537052 Ag\n0.708501 0.558449 0.896371 Ag\n0.946832 0.805225 0.597852 Ag\n0.295048 0.690408 0.466664 Ag\n0.818484 0.199539 0.039898 Ag\n0.703200 0.058235 0.600654 Ag\n0.443988 0.056559 0.962948 Ag\n0.267555 0.193954 0.758414 Ag\n0.925978 0.567428 0.252404 Ag\n0.441285 0.057434 0.536565 Ag\n0.645743 0.994140 0.297840 Ag\n0.732266 0.339565 0.946676 Ag\n0.949141 0.570317 0.966521 Ag\n0.906904 0.802450 0.174754 Cl\n0.673466 0.073431 0.178093 Cl\n0.826534 0.926569 0.678093 Cl\n0.329092 0.424498 0.670820 Cl\n0.931662 0.340718 0.327754 Cl\n0.568338 0.659282 0.827754 Cl\n0.593096 0.197550 0.674754 Cl\n0.326534 0.926569 0.821907 Cl\n0.170908 0.575502 0.170820 Cl\n0.431662 0.340718 0.172246 Cl\n0.173466 0.073431 0.321907 Cl\n0.068338 0.659282 0.672246 Cl\n0.093096 0.197550 0.825246 Cl\n0.406904 0.802450 0.325246 Cl\n0.829092 0.424498 0.829180 Cl\n0.670908 0.575502 0.329180 Cl\n0.934399 0.603709 0.433988 O\n0.596710 0.644997 0.608548 O\n0.360004 0.393467 0.900707 O\n0.702623 0.347620 0.062052 O\n0.096710 0.644997 0.891452 O\n0.697889 0.858110 0.350658 O\n0.302111 0.141890 0.649342 O\n0.142856 0.096653 0.101964 O\n0.890770 0.554463 0.073084 O\n0.197889 0.858110 0.149342 O\n0.297377 0.652380 0.937948 O\n0.860004 0.393467 0.599293 O\n0.434399 0.603709 0.066012 O\n0.797377 0.652380 0.562052 O\n0.142788 0.292696 0.151157 O\n0.636880 0.803964 0.059657 O\n0.719167 0.046231 0.976114 O\n0.065601 0.396291 0.566012 O\n0.863120 0.196036 0.559657 O\n0.607256 0.940105 0.860488 O\n0.202623 0.347620 0.437948 O\n0.546835 0.208532 0.472230 O\n0.892744 0.059895 0.360488 O\n0.780833 0.953769 0.476114 O\n0.059203 0.905125 0.856272 O\n0.049830 0.708988 0.315946 O\n0.392243 0.857870 0.096581 O\n0.107757 0.142130 0.596581 O\n0.559203 0.905125 0.643728 O\n0.363120 0.196036 0.940343 O\n0.357212 0.707304 0.651157 O\n0.711242 0.564177 0.689118 O\n0.609230 0.445537 0.573084 O\n0.549830 0.708988 0.184054 O\n0.139996 0.606533 0.400707 O\n0.288758 0.435823 0.310882 O\n0.046835 0.208532 0.027770 O\n0.450170 0.291012 0.815946 O\n0.219167 0.046231 0.523886 O\n0.109230 0.445537 0.926916 O\n0.390770 0.554463 0.426916 O\n0.788758 0.435823 0.189118 O\n0.642856 0.096653 0.398036 O\n0.857144 0.903347 0.898036 O\n0.453165 0.791468 0.527770 O\n0.639996 0.606533 0.099293 O\n0.950170 0.291012 0.684054 O\n0.607757 0.142130 0.903419 O\n0.440797 0.094875 0.356272 O\n0.940797 0.094875 0.143728 O\n0.357144 0.903347 0.601964 O\n0.280833 0.953769 0.023886 O\n0.903290 0.355003 0.108548 O\n0.211242 0.564177 0.810882 O\n0.857212 0.707304 0.848843 O\n0.802111 0.141890 0.850658 O\n0.642788 0.292696 0.348843 O\n0.392744 0.059895 0.139512 O\n0.565601 0.396291 0.933988 O\n0.892243 0.857870 0.403419 O\n0.107256 0.940105 0.639512 O\n0.953165 0.791468 0.972230 O\n0.136880 0.803964 0.440343 O\n0.403290 0.355003 0.391452 O\n",
"nsites": 176,
"nelements": 4,
"elements": [
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"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O-Si",
"density": 6.125822416570065,
"density_atomic": 0.060850224672142086,
"volume": 2892.3475788015417,
"volume_molar": 9.896661503629588,
"formula_full": "Si16 Ag80 Cl16 O64",
"formula_reduced": "SiAg5ClO4",
"formula_anonymous": "ABC4D5",
"energy": -866.24040905,
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"band_gap": 0.4153,
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"updated_at": "2021-11-28T01:35:25.209000Z",
"spacegroup": 14
},
{
"id": "mp-1096586",
"created_at": "2022-09-04T14:41:49.217450Z",
"structure_string": "Zr1 Zn1 Ir2\n1.0\n-4.807879 5.587132 7.899684\n4.807879 -5.587132 7.899684\n4.807879 5.587132 -7.899684\nZr Zn Ir\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.264172 0.264172 Ir\n0.000000 0.735828 0.735828 Ir\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ir"
],
"chemical_system": "Ir-Zn-Zr",
"density": 1.0584929568623187,
"density_atomic": 0.004712461548677962,
"volume": 848.813291881854,
"volume_molar": 127.79182806678723,
"formula_full": "Zr1 Zn1 Ir2",
"formula_reduced": "ZrZnIr2",
"formula_anonymous": "ABC2",
"energy": -18.26643103,
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"updated_at": "2021-11-28T01:35:29.208000Z",
"spacegroup": 71
},
{
"id": "mp-541938",
"created_at": "2022-09-04T14:41:49.218881Z",
"structure_string": "Nb6 Co16 Si7\n1.0\n0.000000 5.593843 5.593843\n5.593843 0.000000 5.593843\n5.593843 5.593843 0.000000\nNb Co Si\n6 16 7\ndirect\n0.203255 0.796745 0.203255 Nb\n0.203255 0.796745 0.796745 Nb\n0.796745 0.203255 0.203255 Nb\n0.796745 0.796745 0.203255 Nb\n0.203255 0.203255 0.796745 Nb\n0.796745 0.203255 0.796745 Nb\n0.166528 0.166528 0.166528 Co\n0.499585 0.833472 0.833472 Co\n0.833472 0.499585 0.833472 Co\n0.833472 0.833472 0.499585 Co\n0.166528 0.500415 0.166528 Co\n0.166528 0.166528 0.500415 Co\n0.500415 0.166528 0.166528 Co\n0.833472 0.833472 0.833472 Co\n0.381235 0.381235 0.381235 Co\n0.143705 0.618765 0.618765 Co\n0.618765 0.143705 0.618765 Co\n0.618765 0.618765 0.143705 Co\n0.381235 0.856295 0.381235 Co\n0.381235 0.381235 0.856295 Co\n0.856295 0.381235 0.381235 Co\n0.618765 0.618765 0.618765 Co\n0.500000 0.500000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n",
"nsites": 29,
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"density": 8.0493703543958,
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"volume": 350.07477214379924,
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"formula_full": "Nb6 Co16 Si7",
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"updated_at": "2021-11-28T01:35:28.966000Z",
"spacegroup": 225
},
{
"id": "mp-10155",
"created_at": "2022-09-04T14:41:49.256865Z",
"structure_string": "P8 Ir4\n1.0\n5.837716 0.000000 0.000000\n0.000000 5.795391 0.000000\n0.000000 2.144100 5.497402\nP Ir\n8 4\ndirect\n0.118930 0.842099 0.870911 P\n0.618930 0.157901 0.629089 P\n0.881070 0.157901 0.129089 P\n0.381070 0.842099 0.370911 P\n0.623566 0.665894 0.188990 P\n0.123566 0.334106 0.311010 P\n0.376434 0.334106 0.811010 P\n0.876434 0.665894 0.688990 P\n0.500708 0.728324 0.791801 Ir\n0.000708 0.271676 0.708199 Ir\n0.499292 0.271676 0.208199 Ir\n0.999292 0.728324 0.291801 Ir\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Ir-P",
"density": 9.076968319764667,
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