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"results": [
{
"id": "mp-570252",
"created_at": "2022-09-04T14:40:10.513714Z",
"structure_string": "U8 Hg32 As16 Cl48\n1.0\n13.960750 0.000000 0.000000\n0.000000 14.219174 0.000000\n0.000000 0.000000 17.441822\nU Hg As Cl\n8 32 16 48\ndirect\n0.199939 0.490179 0.614152 U\n0.300061 0.509821 0.114152 U\n0.800061 0.990179 0.885848 U\n0.800061 0.509821 0.385848 U\n0.300061 0.990179 0.614152 U\n0.699939 0.009821 0.385848 U\n0.699939 0.490179 0.885848 U\n0.199939 0.009821 0.114152 U\n0.910652 0.009948 0.643843 Hg\n0.910652 0.490052 0.143843 Hg\n0.521782 0.208292 0.997654 Hg\n0.975571 0.756733 0.748197 Hg\n0.410652 0.490052 0.356157 Hg\n0.727745 0.734493 0.127603 Hg\n0.772255 0.265507 0.627603 Hg\n0.024429 0.243267 0.251803 Hg\n0.589348 0.509948 0.643843 Hg\n0.089348 0.990052 0.356157 Hg\n0.024429 0.256733 0.751803 Hg\n0.272255 0.265507 0.872397 Hg\n0.478218 0.791708 0.002346 Hg\n0.089348 0.509948 0.856157 Hg\n0.978218 0.708292 0.997654 Hg\n0.524429 0.256733 0.748197 Hg\n0.021782 0.208292 0.502346 Hg\n0.272255 0.234493 0.372397 Hg\n0.475571 0.756733 0.751803 Hg\n0.021782 0.291708 0.002346 Hg\n0.589348 0.990052 0.143843 Hg\n0.524429 0.243267 0.248197 Hg\n0.978218 0.791708 0.497654 Hg\n0.227745 0.734493 0.372397 Hg\n0.410652 0.009948 0.856157 Hg\n0.475571 0.743267 0.251803 Hg\n0.227745 0.765507 0.872397 Hg\n0.975571 0.743267 0.248197 Hg\n0.478218 0.708292 0.502346 Hg\n0.727745 0.765507 0.627603 Hg\n0.521782 0.291708 0.497654 Hg\n0.772255 0.234493 0.127603 Hg\n0.399119 0.670336 0.372089 As\n0.938182 0.310837 0.133423 As\n0.561818 0.689163 0.633423 As\n0.600881 0.329664 0.627911 As\n0.561818 0.810837 0.133423 As\n0.938182 0.189163 0.633423 As\n0.061818 0.810837 0.366577 As\n0.100881 0.170336 0.372089 As\n0.100881 0.329664 0.872089 As\n0.600881 0.170336 0.127911 As\n0.061818 0.689163 0.866577 As\n0.899119 0.829664 0.627911 As\n0.438182 0.189163 0.866577 As\n0.438182 0.310837 0.366577 As\n0.399119 0.829664 0.872089 As\n0.899119 0.670336 0.127911 As\n0.766367 0.924935 0.265338 Cl\n0.469353 0.512844 0.176880 Cl\n0.263767 0.832230 0.681523 Cl\n0.837768 0.351706 0.453352 Cl\n0.162232 0.648294 0.546648 Cl\n0.236233 0.167770 0.181523 Cl\n0.969353 0.512844 0.323120 Cl\n0.733633 0.075065 0.765338 Cl\n0.733633 0.424935 0.265338 Cl\n0.372162 0.490531 0.554193 Cl\n0.030647 0.012844 0.176880 Cl\n0.337768 0.148294 0.546648 Cl\n0.162232 0.851706 0.046648 Cl\n0.662232 0.851706 0.453352 Cl\n0.530647 0.487156 0.823120 Cl\n0.736233 0.332230 0.818477 Cl\n0.139340 0.398689 0.494962 Cl\n0.639340 0.101311 0.505038 Cl\n0.360660 0.898689 0.494962 Cl\n0.266367 0.924935 0.234662 Cl\n0.763767 0.667770 0.318477 Cl\n0.469353 0.987156 0.676880 Cl\n0.969353 0.987156 0.823120 Cl\n0.372162 0.009469 0.054193 Cl\n0.872162 0.490531 0.945807 Cl\n0.639340 0.398689 0.005038 Cl\n0.530647 0.012844 0.323120 Cl\n0.030647 0.487156 0.676880 Cl\n0.263767 0.667770 0.181523 Cl\n0.860660 0.898689 0.005038 Cl\n0.233633 0.424935 0.234662 Cl\n0.236233 0.332230 0.681523 Cl\n0.837768 0.148294 0.953352 Cl\n0.662232 0.648294 0.953352 Cl\n0.627838 0.990531 0.945807 Cl\n0.763767 0.832230 0.818477 Cl\n0.337768 0.351706 0.046648 Cl\n0.127838 0.990531 0.554193 Cl\n0.139340 0.101311 0.994962 Cl\n0.233633 0.075065 0.734662 Cl\n0.627838 0.509469 0.445807 Cl\n0.266367 0.575065 0.734662 Cl\n0.736233 0.167770 0.318477 Cl\n0.127838 0.509469 0.054193 Cl\n0.360660 0.601311 0.994962 Cl\n0.860660 0.601311 0.505038 Cl\n0.766367 0.575065 0.765338 Cl\n0.872162 0.009469 0.445807 Cl\n",
"nsites": 104,
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"elements": [
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"As",
"Cl"
],
"chemical_system": "As-Cl-Hg-U",
"density": 5.382776442281079,
"density_atomic": 0.03003712559251316,
"volume": 3462.381900681012,
"volume_molar": 20.048991510362878,
"formula_full": "U8 Hg32 As16 Cl48",
"formula_reduced": "UHg4(AsCl3)2",
"formula_anonymous": "AB2C4D6",
"energy": -384.78207981,
"energy_per_atom": -3.6998276904807694,
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"updated_at": "2021-11-28T01:34:47.227000Z",
"spacegroup": 61
},
{
"id": "mp-1176718",
"created_at": "2022-09-04T14:40:10.570691Z",
"structure_string": "Li6 Fe6 F18\n1.0\n6.555608 0.000000 0.000000\n-0.791483 6.627998 0.000000\n-2.215670 -0.354939 8.514100\nLi Fe F\n6 6 18\ndirect\n0.651852 0.557864 0.256560 Li\n0.794798 0.694419 0.979086 Li\n0.975340 0.100449 0.702081 Li\n0.024660 0.899551 0.297919 Li\n0.205202 0.305581 0.020914 Li\n0.348148 0.442136 0.743440 Li\n0.756475 0.641694 0.581444 Fe\n0.574446 0.063582 0.332269 Fe\n0.292355 0.811623 0.000180 Fe\n0.707645 0.188377 0.999820 Fe\n0.425554 0.936418 0.667731 Fe\n0.243525 0.358306 0.418556 Fe\n0.177883 0.409916 0.204128 F\n0.493008 0.779321 0.239259 F\n0.705078 0.962112 0.571611 F\n0.586314 0.368808 0.414092 F\n0.423655 0.127335 0.085559 F\n0.712642 0.471770 0.082631 F\n0.946631 0.169517 0.901864 F\n0.160964 0.893438 0.751846 F\n0.895945 0.693044 0.408109 F\n0.104055 0.306956 0.591891 F\n0.839036 0.106562 0.248154 F\n0.053369 0.830483 0.098136 F\n0.287358 0.528230 0.917369 F\n0.576345 0.872665 0.914441 F\n0.413686 0.631192 0.585908 F\n0.294922 0.037888 0.428389 F\n0.506992 0.220679 0.760741 F\n0.822117 0.590084 0.795872 F\n",
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"elements": [
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"F"
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"chemical_system": "F-Fe-Li",
"density": 3.2259300815401013,
"density_atomic": 0.08109370870665479,
"volume": 369.94238490831424,
"volume_molar": 7.426150383359894,
"formula_full": "Li6 Fe6 F18",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy": -178.85998055000002,
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"updated_at": "2021-11-28T01:34:56.260000Z",
"spacegroup": 2
},
{
"id": "mp-1225903",
"created_at": "2022-09-04T14:40:10.697212Z",
"structure_string": "Gd4 Mn2 Ge8 O24\n1.0\n0.000000 0.000000 5.055892\n10.105997 -0.059992 0.000000\n-0.059992 10.105997 0.000000\nGd Mn Ge O\n4 2 8 24\ndirect\n0.500000 0.000000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.500000 0.750000 0.750000 Gd\n0.500000 0.250000 0.250000 Gd\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.994291 0.746078 0.476486 Ge\n0.005709 0.253922 0.523514 Ge\n0.005709 0.246078 0.976486 Ge\n0.994291 0.753922 0.023514 Ge\n0.005709 0.476486 0.746078 Ge\n0.994291 0.523514 0.253922 Ge\n0.994291 0.976486 0.246078 Ge\n0.005709 0.023514 0.753922 Ge\n0.261959 0.559998 0.668363 O\n0.247923 0.062413 0.327949 O\n0.247923 0.437587 0.172051 O\n0.261959 0.940002 0.831637 O\n0.738041 0.440002 0.331637 O\n0.752077 0.937587 0.672051 O\n0.752077 0.562413 0.827949 O\n0.738041 0.059998 0.168363 O\n0.738041 0.668363 0.559998 O\n0.752077 0.327949 0.062413 O\n0.752077 0.172051 0.437587 O\n0.738041 0.831637 0.940002 O\n0.261959 0.331637 0.440002 O\n0.247923 0.672051 0.937587 O\n0.247923 0.827949 0.562413 O\n0.261959 0.168363 0.059998 O\n0.831970 0.368862 0.631138 O\n0.833374 0.871747 0.371747 O\n0.833374 0.628253 0.128253 O\n0.831970 0.131138 0.868862 O\n0.168030 0.631138 0.368862 O\n0.166626 0.128253 0.628253 O\n0.166626 0.371747 0.871747 O\n0.168030 0.868862 0.131138 O\n",
"nsites": 38,
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"elements": [
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"Ge",
"O"
],
"chemical_system": "Gd-Ge-Mn-O",
"density": 5.479907244952254,
"density_atomic": 0.07359406344944493,
"volume": 516.3459961156229,
"volume_molar": 8.18291649860709,
"formula_full": "Gd4 Mn2 Ge8 O24",
"formula_reduced": "Gd2Mn(GeO3)4",
"formula_anonymous": "AB2C4D12",
"energy": -330.47651496000003,
"energy_per_atom": -8.696750393684212,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:50.490000Z",
"spacegroup": 67
},
{
"id": "mp-1157835",
"created_at": "2022-09-04T14:40:10.704001Z",
"structure_string": "Mg4 Cr8 Si12 O48\n1.0\n-5.830264 5.830264 5.900866\n5.830264 -5.830264 5.900866\n5.830264 5.830264 -5.900866\nMg Cr Si O\n4 8 12 48\ndirect\n0.750000 0.750000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.250000 0.250000 0.000000 Mg\n0.875000 0.125000 0.250000 Cr\n0.875000 0.625000 0.250000 Cr\n0.375000 0.125000 0.250000 Cr\n0.375000 0.625000 0.250000 Cr\n0.375000 0.125000 0.750000 Cr\n0.875000 0.625000 0.750000 Cr\n0.375000 0.625000 0.750000 Cr\n0.875000 0.125000 0.750000 Cr\n0.250000 0.750000 0.500000 Si\n0.625000 0.249782 0.124782 Si\n0.750218 0.875000 0.375218 Si\n0.125000 0.500218 0.875218 Si\n0.250218 0.875000 0.875218 Si\n0.499782 0.375000 0.624782 Si\n0.750000 0.250000 0.500000 Si\n0.999782 0.375000 0.124782 Si\n0.000000 0.000000 0.000000 Si\n0.125000 0.000218 0.375218 Si\n0.625000 0.749782 0.624782 Si\n0.500000 0.500000 0.000000 Si\n0.061573 0.701970 0.449427 O\n0.476319 0.619011 0.437246 O\n0.068235 0.130989 0.357308 O\n0.985214 0.329346 0.262895 O\n0.264786 0.027681 0.844132 O\n0.451970 0.502543 0.140397 O\n0.362146 0.311573 0.859603 O\n0.789073 0.726319 0.357308 O\n0.777681 0.433549 0.262895 O\n0.369011 0.431765 0.642692 O\n0.472319 0.235214 0.155868 O\n0.880989 0.023681 0.562754 O\n0.170654 0.514786 0.737105 O\n0.079346 0.316451 0.844132 O\n0.460927 0.318235 0.437246 O\n0.997457 0.048030 0.859603 O\n0.181765 0.039073 0.562754 O\n0.188427 0.137854 0.140397 O\n0.183549 0.420654 0.155868 O\n0.252543 0.612146 0.550573 O\n0.798030 0.438427 0.550573 O\n0.773681 0.710927 0.642692 O\n0.066451 0.722319 0.737105 O\n0.887854 0.247457 0.449427 O\n0.688427 0.548030 0.050573 O\n0.273681 0.630989 0.062754 O\n0.681765 0.119011 0.142692 O\n0.764786 0.920654 0.237105 O\n0.485214 0.222319 0.655868 O\n0.298030 0.747457 0.359603 O\n0.387854 0.938427 0.640397 O\n0.960927 0.523681 0.142692 O\n0.972319 0.816451 0.237105 O\n0.380989 0.818235 0.857308 O\n0.277681 0.014786 0.344132 O\n0.869011 0.226319 0.937246 O\n0.579346 0.735214 0.762895 O\n0.670654 0.933549 0.655868 O\n0.289073 0.931765 0.062754 O\n0.752543 0.201970 0.640397 O\n0.568235 0.210927 0.937246 O\n0.561573 0.112146 0.359603 O\n0.566451 0.829346 0.344132 O\n0.497457 0.637854 0.949427 O\n0.951970 0.811573 0.949427 O\n0.976319 0.539073 0.857308 O\n0.683549 0.527681 0.762895 O\n0.862146 0.002543 0.050573 O\n",
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"elements": [
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],
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"density": 3.3490786919433346,
"density_atomic": 0.0897388111159155,
"volume": 802.3284363216902,
"volume_molar": 6.710742748999882,
"formula_full": "Mg4 Cr8 Si12 O48",
"formula_reduced": "MgCr2(SiO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -562.79667688,
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"updated_at": "2021-11-28T01:34:49.690000Z",
"spacegroup": 142
},
{
"id": "mp-1522511",
"created_at": "2022-09-04T14:40:10.711873Z",
"structure_string": "Na1 Sr2 Mn1 O6\n1.0\n-0.000000 -4.063191 -4.063191\n4.063191 0.000000 -4.063191\n4.063191 -4.063191 0.000000\nNa Sr Mn O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n-0.000000 0.000000 0.000000 Mn\n0.768604 0.231396 0.231396 O\n0.231396 0.768604 0.768604 O\n0.768604 0.231396 0.768604 O\n0.231396 0.768604 0.231396 O\n0.768604 0.768604 0.231396 O\n0.231396 0.231396 0.768604 O\n",
"nsites": 10,
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"elements": [
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"Mn",
"O"
],
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"volume": 134.16267511582174,
"volume_molar": 8.079465142856279,
"formula_full": "Na1 Sr2 Mn1 O6",
"formula_reduced": "NaSr2MnO6",
"formula_anonymous": "ABC2D6",
"energy": -63.8591822,
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"updated_at": "2021-11-28T01:34:51.735000Z",
"spacegroup": 225
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{
"id": "mp-1100526",
"created_at": "2022-09-04T14:40:10.715473Z",
"structure_string": "Li9 Mn7 O16\n1.0\n6.476061 0.000000 0.000000\n-1.986163 -6.223834 0.000000\n-3.127036 0.618320 -7.395750\nLi Mn O\n9 7 16\ndirect\n0.624677 0.188431 0.438322 Li\n0.642035 0.684884 0.943313 Li\n0.887308 0.073582 0.832866 Li\n0.880396 0.567144 0.313447 Li\n0.112692 0.926418 0.167134 Li\n0.119604 0.432856 0.686553 Li\n0.375323 0.811569 0.561678 Li\n0.357965 0.315116 0.056687 Li\n0.000000 0.500000 0.000000 Li\n0.753373 0.124974 0.122609 Mn\n0.246627 0.875026 0.877391 Mn\n0.754264 0.624351 0.631336 Mn\n0.000000 0.000000 0.500000 Mn\n0.245736 0.375649 0.368664 Mn\n0.494570 0.747240 0.243185 Mn\n0.505430 0.252760 0.756815 Mn\n0.460624 0.023983 0.170816 O\n0.460523 0.524830 0.669491 O\n0.681539 0.880957 0.504226 O\n0.667992 0.372852 0.004834 O\n0.950882 0.789079 0.898998 O\n0.956483 0.277369 0.415470 O\n0.209248 0.655954 0.289936 O\n0.205785 0.156145 0.787031 O\n0.790752 0.344046 0.710064 O\n0.794215 0.843855 0.212969 O\n0.049118 0.210921 0.101002 O\n0.043517 0.722631 0.584530 O\n0.318461 0.119043 0.495774 O\n0.332008 0.627148 0.995166 O\n0.539376 0.976017 0.829184 O\n0.539477 0.475170 0.330509 O\n",
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"formula_full": "Li9 Mn7 O16",
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"formula_anonymous": "A7B9C16",
"energy": -228.93996898,
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{
"id": "mp-568961",
"created_at": "2022-09-04T14:40:10.723201Z",
"structure_string": "Ba2 Fe4 As4\n1.0\n0.000013 -0.000018 5.600425\n6.444864 2.847372 0.000005\n0.000569 5.693443 -0.000018\nBa Fe As\n2 4 4\ndirect\n0.999967 0.000001 0.999999 Ba\n0.500034 0.999999 0.500001 Ba\n0.249942 0.499998 0.000000 Fe\n0.750060 0.500003 0.999999 Fe\n0.749939 0.499997 0.499999 Fe\n0.250059 0.500001 0.500001 Fe\n0.500068 0.701329 0.149242 As\n0.999927 0.701327 0.649270 As\n0.999932 0.298673 0.350730 As\n0.500073 0.298671 0.850759 As\n",
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"elements": [
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"density": 6.446281283688921,
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"volume": 205.4899297949565,
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