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        {
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        {
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            "structure_string": "Ba1 Mg30 Si1 O32\n1.0\n8.724332 0.000000 0.000000\n0.000000 8.724332 0.000000\n0.000000 0.000000 8.621189\nBa Mg Si O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.262161 0.000000 0.242980 Mg\n0.262161 0.000000 0.757020 Mg\n0.737839 0.000000 0.242980 Mg\n0.737839 0.000000 0.757020 Mg\n0.251644 0.500000 0.248971 Mg\n0.251644 0.500000 0.751029 Mg\n0.748356 0.500000 0.248971 Mg\n0.748356 0.500000 0.751029 Mg\n0.000000 0.262161 0.242980 Mg\n0.000000 0.262161 0.757020 Mg\n0.500000 0.251644 0.248971 Mg\n0.500000 0.251644 0.751029 Mg\n0.000000 0.737839 0.242980 Mg\n0.000000 0.737839 0.757020 Mg\n0.500000 0.748356 0.248971 Mg\n0.500000 0.748356 0.751029 Mg\n0.251710 0.251710 0.000000 Mg\n0.258141 0.258141 0.500000 Mg\n0.748290 0.251710 0.000000 Mg\n0.741859 0.258141 0.500000 Mg\n0.251710 0.748290 0.000000 Mg\n0.258141 0.741859 0.500000 Mg\n0.748290 0.748290 0.000000 Mg\n0.741859 0.741859 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.000000 0.267564 0.000000 O\n0.000000 0.278252 0.500000 O\n0.500000 0.253601 0.000000 O\n0.500000 0.256186 0.500000 O\n0.000000 0.732436 0.000000 O\n0.000000 0.721748 0.500000 O\n0.500000 0.746399 0.000000 O\n0.500000 0.743814 0.500000 O\n0.249203 0.249203 0.250456 O\n0.249203 0.249203 0.749544 O\n0.750797 0.249203 0.250456 O\n0.750797 0.249203 0.749544 O\n0.249203 0.750797 0.250456 O\n0.249203 0.750797 0.749544 O\n0.750797 0.750797 0.250456 O\n0.750797 0.750797 0.749544 O\n0.000000 0.000000 0.217289 O\n0.000000 0.000000 0.782711 O\n0.500000 0.000000 0.247094 O\n0.500000 0.000000 0.752906 O\n0.000000 0.500000 0.247094 O\n0.000000 0.500000 0.752906 O\n0.500000 0.500000 0.249252 O\n0.500000 0.500000 0.750748 O\n0.267564 0.000000 0.000000 O\n0.278252 0.000000 0.500000 O\n0.732436 0.000000 0.000000 O\n0.721748 0.000000 0.500000 O\n0.253601 0.500000 0.000000 O\n0.256186 0.500000 0.500000 O\n0.746399 0.500000 0.000000 O\n0.743814 0.500000 0.500000 O\n",
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        {
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            "created_at": "2022-09-04T14:48:31.647429Z",
            "structure_string": "Ca2 Cu4 O8\n1.0\n-3.109620 3.163470 4.230313\n3.109620 -3.163470 4.230313\n3.109620 3.163470 -4.230313\nCa Cu O\n2 4 8\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.141427 0.891427 0.250000 Cu\n0.858573 0.108573 0.750000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.720408 0.216814 0.996406 O\n0.721388 0.229127 0.492262 O\n0.720408 0.724002 0.503594 O\n0.236865 0.229127 0.007738 O\n0.763135 0.770873 0.992262 O\n0.278612 0.770873 0.507738 O\n0.279592 0.275998 0.496406 O\n0.279592 0.783186 0.003594 O\n",
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            "created_at": "2022-09-04T14:48:31.646977Z",
            "structure_string": "Co6 Re8 B8\n1.0\n5.313924 0.000000 0.000000\n0.000000 5.313924 0.000000\n0.000000 0.000000 7.953877\nCo Re B\n6 8 8\ndirect\n0.161760 0.661760 0.500000 Co\n0.838240 0.338240 0.500000 Co\n0.338240 0.161760 0.500000 Co\n0.661760 0.838240 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.674381 0.174381 0.223277 Re\n0.325619 0.825619 0.776723 Re\n0.325619 0.825619 0.223277 Re\n0.825619 0.674381 0.223277 Re\n0.825619 0.674381 0.776723 Re\n0.674381 0.174381 0.776723 Re\n0.174381 0.325619 0.776723 Re\n0.174381 0.325619 0.223277 Re\n0.122452 0.622452 0.000000 B\n0.877548 0.377548 0.000000 B\n0.377548 0.122452 0.000000 B\n0.622452 0.877548 0.000000 B\n0.000000 0.000000 0.375201 B\n0.000000 0.000000 0.624799 B\n0.500000 0.500000 0.624799 B\n0.500000 0.500000 0.375201 B\n",
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            "created_at": "2022-09-04T14:48:31.630084Z",
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            "structure_string": "Li2 Mo6 P6 O32\n1.0\n6.465724 0.000000 0.000000\n1.238587 7.834031 0.000000\n2.668151 1.891183 12.281792\nLi Mo P O\n2 6 6 32\ndirect\n0.580679 0.350060 0.318948 Li\n0.419321 0.649940 0.681052 Li\n0.961961 0.798677 0.847878 Mo\n0.038039 0.201323 0.152122 Mo\n0.601962 0.249724 0.834480 Mo\n0.398038 0.750276 0.165520 Mo\n0.792949 0.787703 0.472933 Mo\n0.207051 0.212297 0.527067 Mo\n0.945588 0.509329 0.687452 P\n0.054412 0.490671 0.312548 P\n0.692666 0.159907 0.566853 P\n0.307334 0.840093 0.433147 P\n0.439949 0.844487 0.889509 P\n0.560051 0.155513 0.110491 P\n0.624878 0.214155 0.679757 O\n0.375122 0.785845 0.320243 O\n0.857325 0.382828 0.788798 O\n0.142675 0.617172 0.211202 O\n0.434269 0.040368 0.882597 O\n0.565731 0.959632 0.117403 O\n0.628476 0.241722 0.992850 O\n0.371524 0.758278 0.007150 O\n0.409287 0.423146 0.825804 O\n0.590713 0.576854 0.174196 O\n0.664135 0.760981 0.837715 O\n0.335865 0.239019 0.162285 O\n0.207066 0.052865 0.636684 O\n0.792934 0.947135 0.363316 O\n0.903995 0.225988 0.507144 O\n0.096005 0.774012 0.492856 O\n0.528534 0.248946 0.493587 O\n0.471466 0.751054 0.506413 O\n0.292226 0.038501 0.417158 O\n0.707774 0.961499 0.582842 O\n0.132060 0.418699 0.612198 O\n0.867940 0.581301 0.387802 O\n0.235082 0.397985 0.372189 O\n0.764918 0.602015 0.627811 O\n0.060715 0.285752 0.018129 O\n0.939285 0.714248 0.981871 O\n0.949101 0.355976 0.268915 O\n0.050899 0.644024 0.731085 O\n0.715897 0.195646 0.179827 O\n0.284103 0.804354 0.820173 O\n0.122446 0.978286 0.158091 O\n0.877554 0.021714 0.841909 O\n",
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            "id": "mp-1176393",
            "created_at": "2022-09-04T14:48:31.572634Z",
            "structure_string": "Na4 Li2 Cu2 P8 O24\n1.0\n0.455626 -0.644793 -8.072611\n-3.233347 -8.018584 -0.022397\n-8.638016 -0.369999 0.022397\nNa Li Cu P O\n4 2 2 8 24\ndirect\n0.709337 0.465813 0.818925 Na\n0.814976 0.822361 0.454823 Na\n0.209337 0.181075 0.534187 Na\n0.314976 0.545177 0.177639 Na\n0.456987 0.905534 0.817402 Li\n0.956985 0.182600 0.094461 Li\n0.109576 0.840204 0.858171 Cu\n0.609576 0.141829 0.159796 Cu\n0.324360 0.214254 0.915438 P\n0.134777 0.561744 0.756068 P\n0.390617 0.774908 0.551778 P\n0.824360 0.084562 0.785745 P\n0.192769 0.923987 0.213218 P\n0.634777 0.243932 0.438256 P\n0.890617 0.448222 0.225092 P\n0.692769 0.786782 0.076013 P\n0.737329 0.908829 0.881539 O\n0.191318 0.606160 0.902339 O\n0.473481 0.294283 0.954762 O\n0.176623 0.359093 0.814026 O\n0.844371 0.179010 0.895557 O\n0.345856 0.908175 0.616038 O\n0.344371 0.104443 0.820990 O\n0.958035 0.600141 0.685072 O\n0.255749 0.633489 0.604071 O\n0.562432 0.689392 0.595072 O\n0.676623 0.185974 0.640907 O\n0.973481 0.045238 0.705717 O\n0.043493 0.960493 0.291958 O\n0.354995 0.854380 0.346713 O\n0.458035 0.314928 0.399859 O\n0.755749 0.395929 0.366511 O\n0.062432 0.404928 0.310608 O\n0.687100 0.886148 0.182411 O\n0.691318 0.097661 0.393840 O\n0.187100 0.817589 0.113852 O\n0.854995 0.653287 0.145620 O\n0.543493 0.708042 0.039507 O\n0.845856 0.383962 0.091825 O\n0.237329 0.118461 0.091171 O\n",
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            "chemical_system": "Cu-Li-Na-O-P",
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            "density_atomic": 0.07282896304999754,
            "volume": 549.232040727255,
            "volume_molar": 8.268881647903957,
            "formula_full": "Na4 Li2 Cu2 P8 O24",
            "formula_reduced": "Na2LiCu(PO3)4",
            "formula_anonymous": "ABC2D4E12",
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            "energy_uncorrected": -261.4251026,
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            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:56.112000Z",
            "spacegroup": 9
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        {
            "id": "mp-1383356",
            "created_at": "2022-09-04T14:48:31.571258Z",
            "structure_string": "Ba1 Hf1 S3\n1.0\n3.544187 -3.543376 0.000000\n3.544187 3.543376 0.000000\n0.001623 0.000000 5.011664\nBa Hf S\n1 1 3\ndirect\n0.008628 0.008628 0.008628 Ba\n0.510476 0.510476 0.510476 Hf\n0.011417 0.513143 0.513143 S\n0.513143 0.513143 0.011417 S\n0.513143 0.011417 0.513143 S\n",
            "nsites": 5,
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            "elements": [
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                "Hf",
                "S"
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            "chemical_system": "Ba-Hf-S",
            "density": 5.435170255671467,
            "density_atomic": 0.039721367758135714,
            "volume": 125.8768336086791,
            "volume_molar": 15.160960208291286,
            "formula_full": "Ba1 Hf1 S3",
            "formula_reduced": "BaHfS3",
            "formula_anonymous": "ABC3",
            "energy": -34.84593258,
            "energy_per_atom": -6.969186516000001,
            "energy_above_hull": null,
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            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.33693258,
            "band_gap": 0.8588999999999998,
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            "is_magnetic": false,
            "total_magnetization": 3.39e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:39:54.334000Z",
            "spacegroup": 221
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        {
            "id": "mp-1229080",
            "created_at": "2022-09-04T14:48:31.571125Z",
            "structure_string": "Ce5 Cu19 P12\n1.0\n10.901593 6.292987 0.000000\n-10.901593 6.292987 0.000000\n0.000000 0.024315 3.888908\nCe Cu P\n5 19 12\ndirect\n0.333543 0.666734 0.000313 Ce\n0.666734 0.333543 0.000313 Ce\n0.186289 0.000114 0.500478 Ce\n0.813725 0.813725 0.501719 Ce\n0.000114 0.186289 0.500478 Ce\n0.360372 0.881828 0.491394 Cu\n0.521403 0.639556 0.512789 Cu\n0.118036 0.478384 0.488029 Cu\n0.639556 0.521403 0.512789 Cu\n0.478384 0.118036 0.488029 Cu\n0.881828 0.360372 0.491394 Cu\n0.173590 0.793562 0.005078 Cu\n0.620580 0.827345 0.004982 Cu\n0.206448 0.380048 0.995169 Cu\n0.827345 0.620580 0.004982 Cu\n0.380048 0.206448 0.995169 Cu\n0.793562 0.173590 0.005078 Cu\n0.000077 0.000077 0.001274 Cu\n0.999996 0.711668 0.496026 Cu\n0.711668 0.999996 0.496026 Cu\n0.288072 0.288072 0.503586 Cu\n0.999558 0.544884 0.921507 Cu\n0.544884 0.999558 0.921507 Cu\n0.454699 0.454699 0.080453 Cu\n0.175573 0.175573 0.002249 P\n0.999946 0.824575 0.998411 P\n0.824575 0.999946 0.998411 P\n0.311624 0.484988 0.496268 P\n0.173371 0.688229 0.505772 P\n0.515282 0.826749 0.503176 P\n0.688229 0.173371 0.505772 P\n0.826749 0.515282 0.503176 P\n0.484988 0.311624 0.496268 P\n0.361499 0.999920 0.997650 P\n0.638569 0.638569 0.005241 P\n0.999920 0.361499 0.997650 P\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Ce",
                "Cu",
                "P"
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            "chemical_system": "Ce-Cu-P",
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            "density_atomic": 0.06746803123463714,
            "volume": 533.5860457347702,
            "volume_molar": 8.92591743051829,
            "formula_full": "Ce5 Cu19 P12",
            "formula_reduced": "Ce5Cu19P12",
            "formula_anonymous": "A5B12C19",
            "energy": -191.57225685,
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            "updated_at": "2021-11-28T01:39:55.834000Z",
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}