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{
"id": "mp-17722",
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{
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"formula_full": "Ba6 Ge6 O18",
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"spacegroup": 1
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{
"id": "mp-1183630",
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"structure_string": "Cd3 Fe1\n1.0\n0.000000 3.366008 3.366008\n3.366008 0.000000 3.366008\n3.366008 3.366008 0.000000\nCd Fe\n3 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Fe\n",
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"formula_full": "Cd3 Fe1",
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{
"id": "mp-1431",
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"structure_string": "Mn4 Si4\n1.0\n4.519741 0.000000 0.000000\n0.000000 4.519741 0.000000\n0.000000 0.000000 4.519741\nMn Si\n4 4\ndirect\n0.863424 0.636576 0.363424 Mn\n0.636576 0.363424 0.863424 Mn\n0.363424 0.863424 0.636576 Mn\n0.136576 0.136576 0.136576 Mn\n0.154866 0.345134 0.654866 Si\n0.345134 0.654866 0.154866 Si\n0.654866 0.154866 0.345134 Si\n0.845134 0.845134 0.845134 Si\n",
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{
"id": "mp-1522506",
"created_at": "2022-09-04T14:46:11.518332Z",
"structure_string": "Ba2 Eu2 Y2 Bi2 O12\n1.0\n6.079300 0.007681 0.003621\n0.009954 6.181550 -0.002864\n0.007187 -0.002117 8.660147\nBa Eu Y Bi O\n2 2 2 2 12\ndirect\n0.989834 0.036737 0.250070 Ba\n0.010166 0.963263 0.749930 Ba\n0.509521 0.545797 0.250513 Eu\n0.490479 0.454203 0.749487 Eu\n0.500000 0.000000 0.000000 Y\n-0.000000 0.500000 0.500000 Y\n-0.000000 0.500000 0.000000 Bi\n0.500000 0.000000 0.500000 Bi\n0.211259 0.220986 0.954027 O\n0.307545 0.702199 0.548583 O\n0.788741 0.779014 0.045973 O\n0.692455 0.297801 0.451417 O\n0.295844 0.693917 0.950258 O\n0.220654 0.213852 0.545614 O\n0.704156 0.306083 0.049742 O\n0.779346 0.786148 0.454386 O\n0.428199 0.962105 0.254055 O\n0.103441 0.488138 0.244929 O\n0.571801 0.037895 0.745945 O\n0.896559 0.511862 0.755071 O\n",
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"formula_full": "Ba2 Eu2 Y2 Bi2 O12",
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{
"id": "mp-16254",
"created_at": "2022-09-04T14:46:11.526153Z",
"structure_string": "Ba2 Cu2 P2\n1.0\n2.110306 -3.655158 0.000000\n2.110306 3.655158 0.000000\n0.000000 0.000000 9.224670\nBa Cu P\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.750000 Cu\n0.666667 0.333333 0.250000 Cu\n0.666667 0.333333 0.750000 P\n0.333333 0.666667 0.250000 P\n",
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{
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"structure_string": "Dy3 In3 Ni3\n1.0\n3.757717 -6.508557 0.000000\n3.757717 6.508557 0.000000\n0.000000 0.000000 3.726322\nDy In Ni\n3 3 3\ndirect\n0.409479 0.409479 0.500000 Dy\n0.590521 0.000000 0.500000 Dy\n0.000000 0.590521 0.500000 Dy\n0.744330 0.744330 0.000000 In\n0.000000 0.255670 0.000000 In\n0.255670 0.000000 0.000000 In\n0.666667 0.333333 0.000000 Ni\n0.333333 0.666667 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n",
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"formula_full": "Dy3 In3 Ni3",
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{
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"created_at": "2022-09-04T14:46:11.540999Z",
"structure_string": "Hg3 Te3\n1.0\n2.357628 -4.083532 0.000000\n2.357628 4.083532 0.000000\n0.000000 0.000000 10.413739\nHg Te\n3 3\ndirect\n0.329171 0.329171 0.000000 Hg\n0.000000 0.670829 0.666667 Hg\n0.670829 0.000000 0.333333 Hg\n0.482087 0.482087 0.500000 Te\n0.000000 0.517913 0.166667 Te\n0.517913 0.000000 0.833333 Te\n",
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{
"id": "mp-1214265",
"created_at": "2022-09-04T14:46:11.545302Z",
"structure_string": "Bi12 Br5 O16\n1.0\n1.998261 15.684250 0.000000\n-1.998261 15.684250 0.000000\n0.000000 0.088193 10.232373\nBi Br O\n12 5 16\ndirect\n0.531281 0.531281 0.231652 Bi\n0.468719 0.468719 0.768348 Bi\n0.827322 0.827322 0.237950 Bi\n0.172678 0.172678 0.762050 Bi\n0.413102 0.413102 0.395206 Bi\n0.586898 0.586898 0.604794 Bi\n0.648679 0.648679 0.067463 Bi\n0.351321 0.351321 0.932537 Bi\n0.704893 0.704893 0.440854 Bi\n0.295107 0.295107 0.559146 Bi\n0.941527 0.941527 0.075670 Bi\n0.058473 0.058473 0.924330 Bi\n0.222173 0.222173 0.187440 Br\n0.777827 0.777827 0.812560 Br\n0.000000 0.000000 0.500000 Br\n0.887452 0.887452 0.653499 Br\n0.112548 0.112548 0.346501 Br\n0.573565 0.573565 0.051306 O\n0.426435 0.426435 0.948694 O\n0.867240 0.867240 0.028776 O\n0.132760 0.132760 0.971224 O\n0.981385 0.981385 0.867899 O\n0.018615 0.018615 0.132101 O\n0.458125 0.458125 0.215867 O\n0.541875 0.541875 0.784133 O\n0.777171 0.777171 0.462399 O\n0.222829 0.222829 0.537601 O\n0.658608 0.658608 0.614072 O\n0.341392 0.341392 0.385928 O\n0.323261 0.323261 0.125181 O\n0.676739 0.676739 0.874819 O\n0.897051 0.897051 0.294859 O\n0.102949 0.102949 0.705141 O\n",
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"volume": 641.3902107803286,
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"formula_full": "Bi12 Br5 O16",
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{
"id": "mp-1245472",
"created_at": "2022-09-04T14:46:11.556117Z",
"structure_string": "Ca16 Cr16 N32\n1.0\n5.449873 0.000000 0.000000\n0.000000 10.666245 0.000000\n0.000000 0.000000 14.867834\nCa Cr N\n16 16 32\ndirect\n0.728600 0.005817 0.432768 Ca\n0.228600 0.494183 0.567232 Ca\n0.271400 0.505817 0.067232 Ca\n0.771400 0.994183 0.932768 Ca\n0.271400 0.994183 0.567232 Ca\n0.771400 0.505817 0.432768 Ca\n0.728600 0.494183 0.932768 Ca\n0.228600 0.005817 0.067232 Ca\n0.891447 0.280085 0.309887 Ca\n0.391447 0.219915 0.690113 Ca\n0.108553 0.780085 0.190113 Ca\n0.608553 0.719915 0.809887 Ca\n0.108553 0.719915 0.690113 Ca\n0.608553 0.780085 0.309887 Ca\n0.891447 0.219915 0.809887 Ca\n0.391447 0.280085 0.190113 Ca\n0.723734 0.012861 0.188583 Cr\n0.223734 0.487139 0.811417 Cr\n0.276266 0.512861 0.311417 Cr\n0.776266 0.987139 0.688583 Cr\n0.276266 0.987139 0.811417 Cr\n0.776266 0.512861 0.188583 Cr\n0.723734 0.487139 0.688583 Cr\n0.223734 0.012861 0.311417 Cr\n0.846189 0.270762 0.062463 Cr\n0.346189 0.229238 0.937537 Cr\n0.153811 0.770762 0.437537 Cr\n0.653811 0.729238 0.562463 Cr\n0.153811 0.729238 0.937537 Cr\n0.653811 0.770762 0.062463 Cr\n0.846189 0.229238 0.562463 Cr\n0.346189 0.270762 0.437537 Cr\n0.596088 0.460444 0.286313 N\n0.096088 0.039556 0.713687 N\n0.403912 0.960444 0.213687 N\n0.903912 0.539556 0.786313 N\n0.403912 0.539556 0.713687 N\n0.903912 0.960444 0.286313 N\n0.596088 0.039556 0.786313 N\n0.096088 0.460444 0.213687 N\n0.682622 0.277606 0.457361 N\n0.182622 0.222394 0.542639 N\n0.317378 0.777606 0.042639 N\n0.817378 0.722394 0.957361 N\n0.317378 0.722394 0.542639 N\n0.817378 0.777606 0.457361 N\n0.682622 0.222394 0.957361 N\n0.182622 0.277606 0.042639 N\n0.693359 0.427388 0.085264 N\n0.193359 0.072612 0.914736 N\n0.306641 0.927388 0.414736 N\n0.806641 0.572612 0.585264 N\n0.306641 0.572612 0.914736 N\n0.806641 0.927388 0.085264 N\n0.693359 0.072612 0.585264 N\n0.193359 0.427388 0.414736 N\n0.774020 0.178736 0.166139 N\n0.274020 0.321264 0.833861 N\n0.225980 0.678736 0.333861 N\n0.725980 0.821264 0.666139 N\n0.225980 0.821264 0.833861 N\n0.725980 0.678736 0.166139 N\n0.774020 0.321264 0.666139 N\n0.274020 0.178736 0.333861 N\n",
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{
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"structure_string": "Co2 S4 N4 O28\n1.0\n12.006401 0.000000 0.000000\n0.000000 6.448123 0.000000\n0.000000 2.146179 9.620873\nCo S N O\n2 4 4 28\ndirect\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.332062 0.760993 0.058901 S\n0.832062 0.239007 0.441099 S\n0.667938 0.239007 0.941099 S\n0.167938 0.760993 0.558901 S\n0.388529 0.386200 0.824553 N\n0.888529 0.613800 0.675447 N\n0.611471 0.613800 0.175447 N\n0.111471 0.386200 0.324553 N\n0.532565 0.607993 0.239174 O\n0.032565 0.392007 0.260826 O\n0.467435 0.392007 0.760826 O\n0.967435 0.607993 0.739174 O\n0.459431 0.736645 0.484365 O\n0.959431 0.263355 0.015635 O\n0.540569 0.263355 0.515635 O\n0.040569 0.736645 0.984365 O\n0.320475 0.940065 0.122361 O\n0.820475 0.059935 0.377639 O\n0.679525 0.059935 0.877639 O\n0.179525 0.940065 0.622361 O\n0.268705 0.569650 0.107563 O\n0.768705 0.430350 0.392437 O\n0.731295 0.430350 0.892437 O\n0.231295 0.569650 0.607563 O\n0.409726 0.770640 0.945694 O\n0.909726 0.229360 0.554306 O\n0.590274 0.229360 0.054306 O\n0.090274 0.770640 0.445694 O\n0.429055 0.158491 0.357876 O\n0.929055 0.841509 0.142124 O\n0.570945 0.841509 0.642124 O\n0.070945 0.158491 0.857876 O\n0.423566 0.059538 0.644551 O\n0.923566 0.940462 0.855449 O\n0.576434 0.940462 0.355449 O\n0.076434 0.059538 0.144551 O\n",
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"updated_at": "2021-11-28T01:37:21.873000Z",
"spacegroup": 14
},
{
"id": "mp-1523236",
"created_at": "2022-09-04T14:46:11.559958Z",
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],
"chemical_system": "Ba-Ce-Eu-Ni-O",
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"volume": 141.1318626618657,
"volume_molar": 8.499159426707436,
"formula_full": "Ba1 Ce1 Eu1 Ni1 O6",
"formula_reduced": "BaCeEuNiO6",
"formula_anonymous": "ABCDE6",
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"updated_at": "2021-11-28T01:37:21.588000Z",
"spacegroup": 216
}
]
}