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"results": [
{
"id": "mp-17554",
"created_at": "2022-09-04T14:42:28.794547Z",
"structure_string": "La4 Mn4 O12\n1.0\n5.871430 0.000008 0.000004\n0.000010 7.777417 -0.006886\n0.000004 -0.004900 5.585994\nLa Mn O\n4 4 12\ndirect\n0.057612 0.250224 0.988846 La\n0.942407 0.749755 0.011176 La\n0.557619 0.249774 0.511148 La\n0.442421 0.750215 0.488826 La\n0.999963 0.999971 0.499965 Mn\n0.000007 0.500024 0.500067 Mn\n0.499980 0.500055 0.999958 Mn\n0.499956 0.999978 0.000051 Mn\n0.478986 0.248695 0.086781 O\n0.521021 0.751301 0.913187 O\n0.978985 0.251310 0.413217 O\n0.021022 0.748702 0.586813 O\n0.310037 0.044123 0.719020 O\n0.688860 0.544250 0.279636 O\n0.690010 0.955828 0.281041 O\n0.311097 0.455796 0.720308 O\n0.809996 0.455880 0.781035 O\n0.188902 0.955749 0.220289 O\n0.189975 0.544174 0.219019 O\n0.811144 0.044198 0.779617 O\n",
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{
"id": "mp-1197642",
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"structure_string": "Ag24 Sn12 S40 N8\n1.0\n6.615763 0.000000 0.000000\n0.000000 13.912224 0.000000\n0.000000 0.000000 22.730634\nAg Sn S N\n24 12 40 8\ndirect\n0.020733 0.798171 0.082723 Ag\n0.479267 0.298171 0.417277 Ag\n0.479267 0.201829 0.582723 Ag\n0.020733 0.701829 0.917277 Ag\n0.979267 0.201829 0.917277 Ag\n0.520733 0.701829 0.582723 Ag\n0.520733 0.798171 0.417277 Ag\n0.979267 0.298171 0.082723 Ag\n0.455159 0.517249 0.109434 Ag\n0.044841 0.017249 0.390566 Ag\n0.044841 0.482751 0.609434 Ag\n0.455159 0.982751 0.890566 Ag\n0.544841 0.482751 0.890566 Ag\n0.955159 0.982751 0.609434 Ag\n0.955159 0.517249 0.390566 Ag\n0.544841 0.017249 0.109434 Ag\n0.914151 0.908454 0.968421 Ag\n0.585849 0.408454 0.531579 Ag\n0.585849 0.091546 0.468421 Ag\n0.914151 0.591546 0.031579 Ag\n0.085849 0.091546 0.031579 Ag\n0.414151 0.591546 0.468421 Ag\n0.414151 0.908454 0.531579 Ag\n0.085849 0.408454 0.968421 Ag\n0.941691 0.551948 0.196680 Sn\n0.558309 0.051948 0.303320 Sn\n0.558309 0.448052 0.696680 Sn\n0.941691 0.948052 0.803320 Sn\n0.058309 0.448052 0.803320 Sn\n0.441691 0.948052 0.696680 Sn\n0.441691 0.551948 0.303320 Sn\n0.058309 0.051948 0.196680 Sn\n0.473032 0.750000 0.000000 Sn\n0.026968 0.250000 0.500000 Sn\n0.526968 0.250000 0.000000 Sn\n0.973032 0.750000 0.500000 Sn\n0.688992 0.864304 0.052791 S\n0.811008 0.364304 0.447209 S\n0.811008 0.135696 0.552791 S\n0.688992 0.635696 0.947209 S\n0.311008 0.135696 0.947209 S\n0.188992 0.635696 0.552791 S\n0.188992 0.864304 0.447209 S\n0.311008 0.364304 0.052791 S\n0.253291 0.660591 0.068057 S\n0.246709 0.160591 0.431943 S\n0.246709 0.339409 0.568057 S\n0.253291 0.839409 0.931943 S\n0.746709 0.339409 0.931943 S\n0.753291 0.839409 0.568057 S\n0.753291 0.660591 0.431943 S\n0.746709 0.160591 0.068057 S\n0.877008 0.744931 0.220780 S\n0.622992 0.244931 0.279220 S\n0.622992 0.255069 0.720780 S\n0.877008 0.755069 0.779220 S\n0.122992 0.255069 0.779220 S\n0.377008 0.755069 0.720780 S\n0.377008 0.744931 0.279220 S\n0.122992 0.244931 0.220780 S\n0.785839 0.484522 0.289191 S\n0.714161 0.984522 0.210809 S\n0.714161 0.515478 0.789191 S\n0.785839 0.015478 0.710809 S\n0.214161 0.515478 0.710809 S\n0.285839 0.015478 0.789191 S\n0.285839 0.484522 0.210809 S\n0.214161 0.984522 0.289191 S\n0.820628 0.468047 0.109005 S\n0.679372 0.968047 0.390995 S\n0.679372 0.531953 0.609005 S\n0.820628 0.031953 0.890995 S\n0.179372 0.531953 0.890995 S\n0.320628 0.031953 0.609005 S\n0.320628 0.468047 0.390995 S\n0.179372 0.968047 0.109005 S\n0.979561 0.762126 0.278489 N\n0.520439 0.262126 0.221511 N\n0.520439 0.237874 0.778489 N\n0.979561 0.737874 0.721511 N\n0.020439 0.237874 0.721511 N\n0.479561 0.737874 0.778489 N\n0.479561 0.762126 0.221511 N\n0.020439 0.262126 0.278489 N\n",
"nsites": 84,
"nelements": 4,
"elements": [
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"N"
],
"chemical_system": "Ag-N-S-Sn",
"density": 4.2923839859694,
"density_atomic": 0.04015052574134267,
"volume": 2092.1270257117926,
"volume_molar": 14.998908853138756,
"formula_full": "Ag24 Sn12 S40 N8",
"formula_reduced": "Ag6Sn3(S5N)2",
"formula_anonymous": "A2B3C6D10",
"energy": -345.4376197,
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"band_gap": 0.0270000000000001,
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"updated_at": "2021-11-28T01:35:52.689000Z",
"spacegroup": 60
},
{
"id": "mp-10925",
"created_at": "2022-09-04T14:42:28.805549Z",
"structure_string": "Pr8 Se8 O4\n1.0\n7.410691 0.000000 0.000000\n0.000000 7.422728 0.000000\n0.000000 1.513926 8.820001\nPr Se O\n8 8 4\ndirect\n0.052066 0.746325 0.142879 Pr\n0.552066 0.753675 0.857121 Pr\n0.947934 0.253675 0.857121 Pr\n0.447934 0.246325 0.142879 Pr\n0.147804 0.673270 0.574564 Pr\n0.647804 0.826730 0.425436 Pr\n0.852196 0.326730 0.425436 Pr\n0.352196 0.173270 0.574564 Pr\n0.722296 0.971197 0.076871 Se\n0.629107 0.430332 0.679837 Se\n0.370893 0.569668 0.320163 Se\n0.870893 0.930332 0.679837 Se\n0.222296 0.528803 0.923129 Se\n0.277704 0.028803 0.923129 Se\n0.777704 0.471197 0.076871 Se\n0.129107 0.069668 0.320163 Se\n0.085091 0.350614 0.614212 O\n0.414909 0.850614 0.614212 O\n0.914909 0.649386 0.385788 O\n0.585091 0.149386 0.385788 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Se",
"O"
],
"chemical_system": "O-Pr-Se",
"density": 6.239220010990112,
"density_atomic": 0.04122295400347592,
"volume": 485.1665894276669,
"volume_molar": 14.608707467912689,
"formula_full": "Pr8 Se8 O4",
"formula_reduced": "Pr2Se2O",
"formula_anonymous": "AB2C2",
"energy": -141.13840703,
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"band_gap": 2.0624,
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"updated_at": "2021-11-28T01:35:49.789000Z",
"spacegroup": 14
},
{
"id": "mp-626813",
"created_at": "2022-09-04T14:42:28.810444Z",
"structure_string": "Mo4 H4 O14\n1.0\n3.808014 0.000000 0.000000\n0.000000 7.402457 0.000000\n0.000000 2.353407 9.170640\nMo H O\n4 4 14\ndirect\n0.250895 0.816019 0.974995 Mo\n0.750895 0.183981 0.025005 Mo\n0.716775 0.832519 0.440491 Mo\n0.216775 0.167481 0.559509 Mo\n0.949633 0.688461 0.718357 H\n0.449633 0.311539 0.281643 H\n0.857798 0.598811 0.296110 H\n0.357798 0.401189 0.703890 H\n0.763706 0.714200 0.643591 O\n0.263706 0.285800 0.356409 O\n0.225163 0.644578 0.879706 O\n0.725163 0.355422 0.120294 O\n0.751090 0.899660 0.966602 O\n0.251090 0.100340 0.033398 O\n0.242117 0.686776 0.154398 O\n0.742117 0.313224 0.845602 O\n0.246944 0.889888 0.469627 O\n0.746944 0.110112 0.530373 O\n0.268101 0.023916 0.739355 O\n0.768101 0.976084 0.260645 O\n0.754507 0.605246 0.390719 O\n0.254507 0.394754 0.609281 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"H",
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],
"chemical_system": "H-Mo-O",
"density": 3.9298202201542725,
"density_atomic": 0.08510373210865303,
"volume": 258.5080519372795,
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"formula_full": "Mo4 H4 O14",
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"energy": -161.85653273000003,
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"updated_at": "2021-11-28T01:35:55.037000Z",
"spacegroup": 4
},
{
"id": "mp-1028310",
"created_at": "2022-09-04T14:42:28.825011Z",
"structure_string": "Rb1 Mg14 V1\n1.0\n6.543220 0.000000 -0.000000\n-3.271610 5.666594 -0.000000\n0.000000 0.000000 10.519071\nRb Mg V\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Rb\n0.160127 0.830063 0.125000 Mg\n0.176990 0.838495 0.625000 Mg\n0.669937 0.339873 0.125000 Mg\n0.661505 0.323010 0.625000 Mg\n0.669937 0.830063 0.125000 Mg\n0.661505 0.838495 0.625000 Mg\n0.334859 0.165141 0.353870 Mg\n0.334859 0.165141 0.896130 Mg\n0.334859 0.669719 0.353870 Mg\n0.334859 0.669719 0.896130 Mg\n0.830281 0.165141 0.353870 Mg\n0.830281 0.165141 0.896130 Mg\n0.833333 0.666667 0.381906 Mg\n0.833333 0.666667 0.868094 Mg\n0.166667 0.333333 0.125000 V\n",
"nsites": 16,
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"elements": [
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"V"
],
"chemical_system": "Mg-Rb-V",
"density": 2.029478168294697,
"density_atomic": 0.04102314727085058,
"volume": 390.02370769755555,
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"formula_full": "Rb1 Mg14 V1",
"formula_reduced": "RbMg14V",
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"energy": -28.83437603,
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"updated_at": "2021-11-28T01:35:53.499000Z",
"spacegroup": 187
},
{
"id": "mp-1078961",
"created_at": "2022-09-04T14:42:28.826823Z",
"structure_string": "Li3 Tb3 Ge3\n1.0\n3.545214 -6.140491 0.000000\n3.545214 6.140491 0.000000\n0.000000 0.000000 4.293168\nLi Tb Ge\n3 3 3\ndirect\n0.765279 0.765279 0.500000 Li\n0.234721 0.000000 0.500000 Li\n0.000000 0.234721 0.500000 Li\n0.421011 0.421011 0.000000 Tb\n0.578989 0.000000 0.000000 Tb\n0.000000 0.578989 0.000000 Tb\n0.000000 0.000000 0.000000 Ge\n0.666667 0.333333 0.500000 Ge\n0.333333 0.666667 0.500000 Ge\n",
"nsites": 9,
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"elements": [
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],
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"density": 6.35648262622018,
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"volume": 186.91899361456115,
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"formula_full": "Li3 Tb3 Ge3",
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"energy": -39.92725558,
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"updated_at": "2021-11-28T01:35:49.280000Z",
"spacegroup": 189
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{
"id": "mp-1218248",
"created_at": "2022-09-04T14:42:28.836873Z",
"structure_string": "Sr1 Ca1 Zr8 P12 O48\n1.0\n8.892323 -0.000005 -0.000046\n-4.446203 2.566987 7.797922\n0.000009 -15.401730 -0.000059\nSr Ca Zr P O\n1 1 8 12 48\ndirect\n0.750000 0.500000 0.250000 Sr\n0.250000 0.500000 0.750000 Ca\n0.285546 0.571133 0.428570 Zr\n0.785629 0.571240 0.928474 Zr\n0.214454 0.428867 0.071430 Zr\n0.714371 0.428760 0.571526 Zr\n0.026720 0.053150 0.675691 Zr\n0.525727 0.051710 0.175117 Zr\n0.473280 0.946850 0.824309 Zr\n0.974273 0.948290 0.324883 Zr\n0.777656 0.255972 0.733821 P\n0.276318 0.255033 0.233590 P\n0.266599 0.256201 0.522031 P\n0.766306 0.254814 0.021246 P\n0.339954 0.256021 0.872294 P\n0.839687 0.254976 0.372529 P\n0.722344 0.744028 0.766179 P\n0.223682 0.744967 0.266410 P\n0.233401 0.743799 0.977969 P\n0.733694 0.745186 0.478754 P\n0.160046 0.743979 0.627706 P\n0.660313 0.745024 0.127471 P\n0.835907 0.409836 0.820927 O\n0.336514 0.409672 0.320608 O\n0.260566 0.409978 0.507512 O\n0.760413 0.409532 0.007930 O\n0.518369 0.409826 0.876516 O\n0.017493 0.409636 0.376242 O\n0.664093 0.590164 0.679073 O\n0.163486 0.590328 0.179392 O\n0.239434 0.590022 0.992488 O\n0.739587 0.590468 0.492070 O\n0.981631 0.590174 0.623484 O\n0.482507 0.590364 0.123758 O\n0.649557 0.911223 0.149376 O\n0.150336 0.911248 0.650068 O\n0.362310 0.911180 0.250030 O\n0.861030 0.911256 0.750171 O\n0.355091 0.910811 0.055161 O\n0.855352 0.911648 0.556422 O\n0.850443 0.088777 0.350624 O\n0.349664 0.088752 0.849932 O\n0.137690 0.088820 0.249970 O\n0.638970 0.088744 0.749829 O\n0.144909 0.089189 0.444839 O\n0.644648 0.088352 0.943578 O\n0.798537 0.718522 0.846438 O\n0.298955 0.718310 0.346473 O\n0.049418 0.718293 0.975983 O\n0.549270 0.718467 0.476294 O\n0.229566 0.718477 0.536719 O\n0.729383 0.718291 0.036460 O\n0.701463 0.281478 0.653562 O\n0.201045 0.281690 0.153527 O\n0.450582 0.281707 0.524017 O\n0.950730 0.281533 0.023706 O\n0.270434 0.281523 0.963281 O\n0.770617 0.281709 0.463540 O\n0.215885 0.243672 0.795090 O\n0.713700 0.238074 0.295066 O\n0.943176 0.243630 0.710424 O\n0.438580 0.238147 0.209283 O\n0.206500 0.243732 0.616461 O\n0.704787 0.238012 0.114542 O\n0.284115 0.756328 0.704910 O\n0.786300 0.761926 0.204934 O\n0.556824 0.756370 0.789576 O\n0.061420 0.761853 0.290717 O\n0.293500 0.756268 0.883539 O\n0.795213 0.761988 0.385458 O\n",
"nsites": 70,
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"elements": [
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"volume": 1067.9767379882212,
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"formula_full": "Sr1 Ca1 Zr8 P12 O48",
"formula_reduced": "SrCaZr8(PO4)12",
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"energy": -602.2634037500001,
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"updated_at": "2021-11-28T01:35:51.717000Z",
"spacegroup": 2
},
{
"id": "mp-982662",
"created_at": "2022-09-04T14:42:28.843077Z",
"structure_string": "Eu4 Mg2 Si4 O14\n1.0\n8.064094 0.000000 0.000000\n0.000000 8.064094 0.000000\n0.000000 0.000000 5.218223\nEu Mg Si O\n4 2 4 14\ndirect\n0.334529 0.834529 0.490942 Eu\n0.665471 0.165471 0.490942 Eu\n0.165471 0.334529 0.509058 Eu\n0.834529 0.665471 0.509058 Eu\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.139401 0.639401 0.058450 Si\n0.860599 0.360599 0.058450 Si\n0.360599 0.139401 0.941550 Si\n0.639401 0.860599 0.941550 Si\n0.000000 0.500000 0.165063 O\n0.079468 0.810913 0.201810 O\n0.310913 0.579468 0.201810 O\n0.689087 0.420532 0.201810 O\n0.920532 0.189087 0.201810 O\n0.358097 0.141903 0.252334 O\n0.641903 0.858097 0.252334 O\n0.141903 0.641903 0.747666 O\n0.858097 0.358097 0.747666 O\n0.189087 0.079468 0.798190 O\n0.420532 0.310913 0.798190 O\n0.579468 0.689087 0.798190 O\n0.810913 0.920532 0.798190 O\n0.500000 0.000000 0.834937 O\n",
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"elements": [
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"density": 4.858216819715106,
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"volume": 339.3390172325674,
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"formula_full": "Eu4 Mg2 Si4 O14",
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