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{
"count": 146323,
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"results": [
{
"id": "mp-1205507",
"created_at": "2022-09-04T14:47:58.139971Z",
"structure_string": "Eu2 Mg1 W1 O6\n1.0\n0.000000 4.003435 4.003435\n4.003435 0.000000 4.003435\n4.003435 4.003435 0.000000\nEu Mg W O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 W\n0.755569 0.244431 0.244431 O\n0.244431 0.755569 0.755569 O\n0.244431 0.755569 0.244431 O\n0.755569 0.244431 0.755569 O\n0.244431 0.244431 0.755569 O\n0.755569 0.755569 0.244431 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Eu",
"Mg",
"W",
"O"
],
"chemical_system": "Eu-Mg-O-W",
"density": 7.868173096762199,
"density_atomic": 0.07792407565505138,
"volume": 128.33004326246063,
"volume_molar": 7.728215842634276,
"formula_full": "Eu2 Mg1 W1 O6",
"formula_reduced": "Eu2MgWO6",
"formula_anonymous": "ABC2D6",
"energy": -94.16302379,
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"updated_at": "2021-11-28T01:38:23.631000Z",
"spacegroup": 225
},
{
"id": "mp-505001",
"created_at": "2022-09-04T14:47:57.161205Z",
"structure_string": "Rb12 Zn4 Br20\n1.0\n9.279413 0.000000 0.000000\n0.000000 10.670238 0.000000\n0.000000 0.000000 13.777032\nRb Zn Br\n12 4 20\ndirect\n0.911389 0.021094 0.671522 Rb\n0.588611 0.978906 0.171522 Rb\n0.588611 0.521094 0.171522 Rb\n0.088611 0.521094 0.328478 Rb\n0.088611 0.978906 0.328478 Rb\n0.411389 0.021094 0.828478 Rb\n0.588214 0.750000 0.454025 Rb\n0.911786 0.250000 0.954025 Rb\n0.088214 0.750000 0.045975 Rb\n0.411786 0.250000 0.545975 Rb\n0.411389 0.478906 0.828478 Rb\n0.911389 0.478906 0.671522 Rb\n0.690224 0.750000 0.891189 Zn\n0.309776 0.250000 0.108811 Zn\n0.190224 0.750000 0.608811 Zn\n0.809776 0.250000 0.391189 Zn\n0.660735 0.250000 0.734161 Br\n0.314153 0.558254 0.564402 Br\n0.864717 0.250000 0.219039 Br\n0.839265 0.750000 0.234161 Br\n0.635283 0.750000 0.719039 Br\n0.685847 0.441746 0.435598 Br\n0.814153 0.558254 0.935598 Br\n0.534187 0.250000 0.014259 Br\n0.965813 0.750000 0.514259 Br\n0.160735 0.250000 0.765839 Br\n0.814153 0.941746 0.935598 Br\n0.314153 0.941746 0.564402 Br\n0.339265 0.750000 0.265839 Br\n0.185847 0.058254 0.064402 Br\n0.685847 0.058254 0.435598 Br\n0.135283 0.750000 0.780961 Br\n0.364717 0.250000 0.280961 Br\n0.034187 0.250000 0.485741 Br\n0.185847 0.441746 0.064402 Br\n0.465813 0.750000 0.985741 Br\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"Br"
],
"chemical_system": "Br-Rb-Zn",
"density": 3.5123214064622372,
"density_atomic": 0.02639077978508619,
"volume": 1364.112780795667,
"volume_molar": 22.8191088290737,
"formula_full": "Rb12 Zn4 Br20",
"formula_reduced": "Rb3ZnBr5",
"formula_anonymous": "AB3C5",
"energy": -114.53332378,
"energy_per_atom": -3.181481216111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.85332377999998,
"band_gap": 3.6019,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000924,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.793000Z",
"spacegroup": 62
},
{
"id": "mp-1192718",
"created_at": "2022-09-04T14:48:01.691964Z",
"structure_string": "Sb2 H10 Cl12 O4\n1.0\n3.618867 6.083686 0.000000\n-3.618867 6.083686 0.000000\n0.000000 5.537373 12.382742\nSb H Cl O\n2 10 12 4\ndirect\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.718424 0.281576 0.750000 H\n0.281576 0.718424 0.250000 H\n0.694592 0.130995 0.666869 H\n0.869005 0.305408 0.833131 H\n0.305408 0.869005 0.333131 H\n0.130995 0.694592 0.166869 H\n0.772264 0.329641 0.600766 H\n0.670359 0.227736 0.899234 H\n0.227736 0.670359 0.399234 H\n0.329641 0.772264 0.100766 H\n0.234545 0.327315 0.567577 Cl\n0.672685 0.765455 0.932423 Cl\n0.765455 0.672685 0.432423 Cl\n0.327315 0.234545 0.067577 Cl\n0.342854 0.148758 0.341238 Cl\n0.851242 0.657146 0.158762 Cl\n0.657146 0.851242 0.658762 Cl\n0.148758 0.342854 0.841238 Cl\n0.246229 0.827725 0.592418 Cl\n0.172275 0.753771 0.907582 Cl\n0.753771 0.172275 0.407582 Cl\n0.827725 0.246229 0.092418 Cl\n0.687509 0.273302 0.669538 O\n0.726698 0.312491 0.830462 O\n0.312491 0.726698 0.330462 O\n0.273302 0.687509 0.169538 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sb",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sb",
"density": 2.2629292029667756,
"density_atomic": 0.05135370696280233,
"volume": 545.2381464941097,
"volume_molar": 11.726788806817959,
"formula_full": "Sb2 H10 Cl12 O4",
"formula_reduced": "SbH5(Cl3O)2",
"formula_anonymous": "AB2C5D6",
"energy": -117.60457902,
"energy_per_atom": -4.200163536428572,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -107.48857902,
"band_gap": 1.7813,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013872,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.098000Z",
"spacegroup": 15
},
{
"id": "mp-1209960",
"created_at": "2022-09-04T14:48:03.293134Z",
"structure_string": "Na2 Y2 Cl8\n1.0\n6.683964 0.000000 0.000000\n1.353699 6.632906 0.000000\n0.269374 0.021816 7.064100\nNa Y Cl\n2 2 8\ndirect\n0.231682 0.197423 0.535451 Na\n0.768318 0.802577 0.464549 Na\n0.788898 0.299466 0.054924 Y\n0.211102 0.700534 0.945076 Y\n0.612275 0.207088 0.365476 Cl\n0.387725 0.792912 0.634524 Cl\n0.095641 0.002102 0.205684 Cl\n0.904359 0.997898 0.794316 Cl\n0.047029 0.503405 0.241253 Cl\n0.952971 0.496595 0.758747 Cl\n0.566816 0.686206 0.118176 Cl\n0.433184 0.313794 0.881824 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Y",
"Cl"
],
"chemical_system": "Cl-Na-Y",
"density": 2.6904059818135764,
"density_atomic": 0.03831655566893802,
"volume": 313.1805505610205,
"volume_molar": 15.716811323106352,
"formula_full": "Na2 Y2 Cl8",
"formula_reduced": "NaYCl4",
"formula_anonymous": "ABC4",
"energy": -60.61502854,
"energy_per_atom": -5.051252378333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -55.70302854,
"band_gap": 4.6098,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.932000Z",
"spacegroup": 2
},
{
"id": "mp-606691",
"created_at": "2022-09-04T14:47:58.062440Z",
"structure_string": "K4 U8 P12 O56\n1.0\n10.445772 0.000000 0.000000\n0.000000 10.791389 0.000000\n0.000000 0.000000 11.300478\nK U P O\n4 8 12 56\ndirect\n0.389992 0.000000 0.750000 K\n0.110008 0.500000 0.250000 K\n0.889992 0.500000 0.750000 K\n0.610008 0.000000 0.250000 K\n0.676115 0.806135 0.904811 U\n0.176115 0.306135 0.595189 U\n0.823885 0.693865 0.404811 U\n0.176115 0.693865 0.904811 U\n0.323885 0.193865 0.095189 U\n0.323885 0.806135 0.404811 U\n0.823885 0.306135 0.095189 U\n0.676115 0.193865 0.595189 U\n0.580383 0.500000 0.250000 P\n0.427508 0.685953 0.118169 P\n0.572492 0.685953 0.618169 P\n0.072492 0.185953 0.881831 P\n0.927508 0.814047 0.118169 P\n0.919617 0.000000 0.750000 P\n0.072492 0.814047 0.618169 P\n0.572492 0.314047 0.881831 P\n0.419617 0.500000 0.750000 P\n0.080383 0.000000 0.250000 P\n0.927508 0.185953 0.381831 P\n0.427508 0.314047 0.381831 P\n0.431763 0.767629 0.229066 O\n0.749440 0.654306 0.893273 O\n0.985358 0.950559 0.150873 O\n0.102164 0.541966 0.908829 O\n0.208696 0.155491 0.923037 O\n0.568237 0.232371 0.770934 O\n0.750560 0.154306 0.106727 O\n0.845747 0.892709 0.802081 O\n0.749440 0.345694 0.606727 O\n0.708696 0.655491 0.576963 O\n0.485358 0.549441 0.150873 O\n0.397836 0.041966 0.091171 O\n0.513761 0.265216 0.479890 O\n0.931763 0.732371 0.229066 O\n0.791304 0.155491 0.423037 O\n0.014642 0.950559 0.650873 O\n0.431763 0.232371 0.270934 O\n0.986239 0.234784 0.979890 O\n0.345747 0.392709 0.697919 O\n0.845747 0.107291 0.697919 O\n0.602164 0.041966 0.591171 O\n0.485358 0.450559 0.349127 O\n0.013761 0.765216 0.020110 O\n0.250560 0.345694 0.106727 O\n0.102164 0.458034 0.591171 O\n0.250560 0.654306 0.393273 O\n0.068237 0.732371 0.729066 O\n0.986239 0.765216 0.520110 O\n0.154253 0.892709 0.302081 O\n0.931763 0.267629 0.270934 O\n0.291304 0.655491 0.076963 O\n0.249440 0.154306 0.606727 O\n0.514642 0.450559 0.849127 O\n0.897836 0.541966 0.408829 O\n0.568237 0.767629 0.729066 O\n0.397836 0.958034 0.408829 O\n0.291304 0.344509 0.423037 O\n0.513761 0.734784 0.020110 O\n0.345747 0.607291 0.802081 O\n0.654253 0.607291 0.302081 O\n0.014642 0.049441 0.849127 O\n0.486239 0.734784 0.520110 O\n0.791304 0.844509 0.076963 O\n0.897836 0.458034 0.091171 O\n0.013761 0.234784 0.479890 O\n0.486239 0.265216 0.979890 O\n0.654253 0.392709 0.197919 O\n0.154253 0.107291 0.197919 O\n0.068237 0.267629 0.770934 O\n0.249440 0.845694 0.893273 O\n0.708696 0.344509 0.923037 O\n0.514642 0.549441 0.650873 O\n0.602164 0.958034 0.908829 O\n0.750560 0.845694 0.393273 O\n0.985358 0.049441 0.349127 O\n0.208696 0.844509 0.576963 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"K",
"U",
"P",
"O"
],
"chemical_system": "K-O-P-U",
"density": 4.3386411357969035,
"density_atomic": 0.06280226146513737,
"volume": 1273.8394786055499,
"volume_molar": 9.589050807259538,
"formula_full": "K4 U8 P12 O56",
"formula_reduced": "KU2P3O14",
"formula_anonymous": "AB2C3D14",
"energy": -683.8878549799999,
"energy_per_atom": -8.548598187249999,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:29.245000Z",
"spacegroup": 60
},
{
"id": "mp-1188078",
"created_at": "2022-09-04T14:48:02.069056Z",
"structure_string": "Tb1 Mg149\n1.0\n13.849877 -7.996234 0.000000\n0.000000 15.992468 0.000000\n0.000000 -0.000000 15.621671\nTb Mg\n1 149\ndirect\n0.000000 0.000000 -0.000000 Tb\n0.600052 0.200104 -0.000000 Mg\n0.799409 0.200591 -0.000000 Mg\n0.401181 0.200591 -0.000000 Mg\n0.202060 0.204972 -0.000000 Mg\n0.002912 0.204972 -0.000000 Mg\n0.000158 0.400173 -0.000000 Mg\n0.400015 0.400173 -0.000000 Mg\n0.799896 0.399949 -0.000000 Mg\n0.600052 0.399949 -0.000000 Mg\n0.201580 0.403159 -0.000000 Mg\n0.799409 0.598819 -0.000000 Mg\n0.000158 0.599985 -0.000000 Mg\n0.599828 0.599986 -0.000000 Mg\n0.399745 0.600255 -0.000000 Mg\n0.200510 0.600255 -0.000000 Mg\n0.596841 0.798420 -0.000000 Mg\n0.201580 0.798421 -0.000000 Mg\n0.795028 0.797940 -0.000000 Mg\n0.002912 0.797940 -0.000000 Mg\n0.399745 0.799490 -0.000000 Mg\n0.202060 0.997088 -0.000000 Mg\n0.795028 0.997088 -0.000000 Mg\n0.400015 0.999842 -0.000000 Mg\n0.599828 0.999842 -0.000000 Mg\n0.263833 0.131916 0.164637 Mg\n0.868084 0.131916 0.164637 Mg\n0.868084 0.736167 0.164637 Mg\n0.666667 0.333333 0.166107 Mg\n0.465598 0.132966 0.166517 Mg\n0.667367 0.132966 0.166517 Mg\n0.465598 0.332633 0.166517 Mg\n0.867034 0.332634 0.166517 Mg\n0.667367 0.534401 0.166517 Mg\n0.867034 0.534401 0.166517 Mg\n0.066711 0.533355 0.167268 Mg\n0.466645 0.533355 0.167268 Mg\n0.466645 0.933289 0.167268 Mg\n0.267146 0.534293 0.167348 Mg\n0.465707 0.732853 0.167348 Mg\n0.267146 0.732854 0.167348 Mg\n0.267594 0.335615 0.167675 Mg\n0.068020 0.335615 0.167675 Mg\n0.664385 0.732406 0.167675 Mg\n0.068020 0.732406 0.167675 Mg\n0.664385 0.931980 0.167675 Mg\n0.267594 0.931980 0.167675 Mg\n0.067952 0.135905 0.169659 Mg\n0.864095 0.932048 0.169659 Mg\n0.067952 0.932048 0.169659 Mg\n0.399708 0.199853 0.332807 Mg\n0.800147 0.199854 0.332807 Mg\n0.800147 0.600292 0.332807 Mg\n0.599990 0.199980 0.332769 Mg\n0.800020 0.400010 0.332769 Mg\n0.599990 0.400010 0.332769 Mg\n0.799441 0.000008 0.333462 Mg\n0.200568 0.000009 0.333462 Mg\n0.200568 0.200560 0.333462 Mg\n0.999991 0.200560 0.333462 Mg\n0.999991 0.799431 0.333462 Mg\n0.799441 0.799432 0.333462 Mg\n0.400461 0.000186 0.333757 Mg\n0.599726 0.000187 0.333757 Mg\n0.400461 0.400274 0.333757 Mg\n0.999814 0.400275 0.333757 Mg\n0.999814 0.599539 0.333757 Mg\n0.599726 0.599539 0.333757 Mg\n0.400074 0.599926 0.333692 Mg\n0.199853 0.599926 0.333692 Mg\n0.400074 0.800147 0.333692 Mg\n0.200218 0.400439 0.334138 Mg\n0.599561 0.799781 0.334138 Mg\n0.200218 0.799781 0.334138 Mg\n0.000000 0.000000 0.334656 Mg\n0.866429 0.133571 0.500000 Mg\n0.267142 0.133571 0.500000 Mg\n0.066799 0.133599 0.500000 Mg\n0.667124 0.134151 0.500000 Mg\n0.467028 0.134151 0.500000 Mg\n0.865848 0.332876 0.500000 Mg\n0.467028 0.332876 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.266770 0.333598 0.500000 Mg\n0.066828 0.333598 0.500000 Mg\n0.865848 0.532972 0.500000 Mg\n0.667124 0.532973 0.500000 Mg\n0.066076 0.533038 0.500000 Mg\n0.466962 0.533038 0.500000 Mg\n0.266770 0.533539 0.500000 Mg\n0.866429 0.732858 0.500000 Mg\n0.066828 0.733229 0.500000 Mg\n0.666402 0.733229 0.500000 Mg\n0.466461 0.733230 0.500000 Mg\n0.266770 0.733230 0.500000 Mg\n0.866401 0.933200 0.500000 Mg\n0.066799 0.933200 0.500000 Mg\n0.266770 0.933172 0.500000 Mg\n0.666402 0.933172 0.500000 Mg\n0.466962 0.933923 0.500000 Mg\n0.000000 0.000000 0.665344 Mg\n0.200218 0.400439 0.665862 Mg\n0.599561 0.799781 0.665862 Mg\n0.200218 0.799781 0.665862 Mg\n0.400074 0.599926 0.666308 Mg\n0.199853 0.599926 0.666308 Mg\n0.400074 0.800147 0.666308 Mg\n0.400461 0.000186 0.666243 Mg\n0.599726 0.000187 0.666243 Mg\n0.400461 0.400274 0.666243 Mg\n0.999814 0.400275 0.666243 Mg\n0.999814 0.599539 0.666243 Mg\n0.599726 0.599539 0.666243 Mg\n0.799441 0.000008 0.666538 Mg\n0.200568 0.000009 0.666538 Mg\n0.200568 0.200560 0.666538 Mg\n0.999991 0.200560 0.666538 Mg\n0.999991 0.799431 0.666538 Mg\n0.799441 0.799432 0.666538 Mg\n0.599990 0.199980 0.667231 Mg\n0.800020 0.400010 0.667231 Mg\n0.599990 0.400010 0.667231 Mg\n0.399708 0.199853 0.667193 Mg\n0.800147 0.199854 0.667193 Mg\n0.800147 0.600292 0.667193 Mg\n0.067952 0.135905 0.830341 Mg\n0.864095 0.932048 0.830341 Mg\n0.067952 0.932048 0.830341 Mg\n0.267594 0.335615 0.832325 Mg\n0.068020 0.335615 0.832325 Mg\n0.664385 0.732406 0.832325 Mg\n0.068020 0.732406 0.832325 Mg\n0.664385 0.931980 0.832325 Mg\n0.267594 0.931980 0.832325 Mg\n0.267146 0.534293 0.832652 Mg\n0.465707 0.732853 0.832652 Mg\n0.267146 0.732854 0.832652 Mg\n0.066711 0.533355 0.832732 Mg\n0.466645 0.533355 0.832732 Mg\n0.466645 0.933289 0.832732 Mg\n0.465598 0.132966 0.833483 Mg\n0.667367 0.132966 0.833483 Mg\n0.465598 0.332633 0.833483 Mg\n0.867034 0.332634 0.833483 Mg\n0.667367 0.534401 0.833483 Mg\n0.867034 0.534401 0.833483 Mg\n0.666667 0.333333 0.833893 Mg\n0.263833 0.131916 0.835363 Mg\n0.868084 0.131916 0.835363 Mg\n0.868084 0.736167 0.835363 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Tb",
"Mg"
],
"chemical_system": "Mg-Tb",
"density": 1.8142392221968295,
"density_atomic": 0.04335132392051699,
"volume": 3460.101940024238,
"volume_molar": 13.891480617850025,
"formula_full": "Tb1 Mg149",
"formula_reduced": "TbMg149",
"formula_anonymous": "AB149",
"energy": -246.9045042,
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"band_gap": 0.2509999999999999,
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"total_magnetization": 3.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.593000Z",
"spacegroup": 187
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{
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