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{
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"results": [
{
"id": "mp-1193243",
"created_at": "2022-09-04T14:40:17.793098Z",
"structure_string": "Co2 B2 P4 H2 Pb2 O18\n1.0\n5.184022 -0.014128 0.972601\n0.317943 8.070910 0.046966\n-0.026455 -0.027819 8.448366\nCo B P H Pb O\n2 2 4 2 2 18\ndirect\n0.737433 0.805362 0.192281 Co\n0.262567 0.194638 0.807719 Co\n0.869296 0.738320 0.544365 B\n0.130704 0.261680 0.455635 B\n0.804513 0.427950 0.707365 P\n0.195487 0.572050 0.292635 P\n0.768577 0.935037 0.814710 P\n0.231423 0.064963 0.185290 P\n0.513735 0.758877 0.477667 H\n0.486265 0.241123 0.522333 H\n0.267076 0.698115 0.921658 Pb\n0.732924 0.301885 0.078342 Pb\n0.979157 0.572822 0.192239 O\n0.020843 0.427178 0.807761 O\n0.928120 0.871758 0.648174 O\n0.071880 0.128242 0.351826 O\n0.900549 0.090131 0.858063 O\n0.099451 0.909869 0.141937 O\n0.876903 0.317023 0.551305 O\n0.123097 0.682977 0.448695 O\n0.786080 0.791752 0.937729 O\n0.213920 0.208248 0.062271 O\n0.736754 0.605366 0.649013 O\n0.263246 0.394634 0.350987 O\n0.691260 0.790221 0.437455 O\n0.308740 0.209779 0.562545 O\n0.554662 0.369764 0.811458 O\n0.445338 0.630236 0.188542 O\n0.481027 0.969423 0.806282 O\n0.518973 0.030577 0.193718 O\n",
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"spacegroup": 2
},
{
"id": "mp-1219481",
"created_at": "2022-09-04T14:40:17.795204Z",
"structure_string": "Sb6 O13\n1.0\n-3.658381 3.666727 5.263053\n3.658381 -3.666727 5.263053\n3.658381 3.666727 -5.263053\nSb O\n6 13\ndirect\n0.247858 0.999222 0.248636 Sb\n0.750586 0.999222 0.751364 Sb\n0.747781 0.997305 0.249524 Sb\n0.747781 0.498257 0.750476 Sb\n0.248768 0.512077 0.263309 Sb\n0.248768 0.985459 0.736691 Sb\n0.428204 0.928204 0.500000 O\n0.815225 0.315225 0.500000 O\n0.416621 0.932277 0.091806 O\n0.840471 0.324815 0.908194 O\n0.840471 0.932277 0.515656 O\n0.416621 0.324815 0.484344 O\n0.067927 0.067927 0.000000 O\n0.679244 0.679244 0.000000 O\n0.078817 0.060037 0.405360 O\n0.654678 0.673458 0.594640 O\n0.654678 0.060037 0.981220 O\n0.078817 0.673458 0.018780 O\n0.161685 0.661685 0.500000 O\n",
"nsites": 19,
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"elements": [
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"chemical_system": "O-Sb",
"density": 5.518769879922713,
"density_atomic": 0.06728036777902541,
"volume": 282.4003587852448,
"volume_molar": 8.950814269890772,
"formula_full": "Sb6 O13",
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"updated_at": "2021-11-28T01:34:52.670000Z",
"spacegroup": 44
},
{
"id": "mp-1521671",
"created_at": "2022-09-04T14:40:17.796449Z",
"structure_string": "Na4 Sr4 Pr4 Sb4 O24\n1.0\n8.496787 0.000000 0.000000\n0.000000 8.560807 0.000000\n0.000000 0.000000 8.509407\nNa Sr Pr Sb O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 -0.000000 0.000000 Na\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.750000 Pr\n0.250000 0.750000 0.250000 Pr\n0.750000 0.250000 0.250000 Pr\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.250000 Sb\n0.750000 0.250000 0.750000 Sb\n0.250000 0.750000 0.750000 Sb\n0.021882 0.202460 0.277560 O\n0.978119 0.797540 0.277560 O\n0.978119 0.202460 0.722440 O\n0.021882 0.797540 0.722440 O\n0.294281 0.022008 0.214323 O\n0.294281 0.977992 0.785677 O\n0.705719 0.977992 0.214323 O\n0.705719 0.022008 0.785677 O\n0.217055 0.294543 0.020296 O\n0.782945 0.294543 0.979704 O\n0.217055 0.705457 0.979704 O\n0.782945 0.705457 0.020296 O\n0.478119 0.297540 0.222440 O\n0.521881 0.702460 0.222440 O\n0.521881 0.297540 0.777560 O\n0.478119 0.702460 0.777560 O\n0.205719 0.477992 0.285677 O\n0.205719 0.522008 0.714323 O\n0.794281 0.522008 0.285677 O\n0.794281 0.477992 0.714323 O\n0.282945 0.205457 0.479704 O\n0.717055 0.205457 0.520296 O\n0.282945 0.794543 0.520296 O\n0.717055 0.794543 0.479704 O\n",
"nsites": 40,
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"elements": [
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"Pr",
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"density": 5.035779212123304,
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"volume_molar": 9.318792571129478,
"formula_full": "Na4 Sr4 Pr4 Sb4 O24",
"formula_reduced": "NaSrPrSbO6",
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"energy": -268.3292283,
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"spacegroup": 48
},
{
"id": "mp-1194374",
"created_at": "2022-09-04T14:40:17.853654Z",
"structure_string": "Nb8 V2 S16\n1.0\n3.343989 -5.791958 0.000000\n3.343989 5.791958 0.000000\n0.000000 0.000000 12.271608\nNb V S\n8 2 16\ndirect\n0.000000 0.000000 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.504341 0.495659 0.250000 Nb\n0.504341 0.008682 0.250000 Nb\n0.991318 0.495659 0.250000 Nb\n0.495659 0.504341 0.750000 Nb\n0.495659 0.991318 0.750000 Nb\n0.008682 0.504341 0.750000 Nb\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.333333 0.666667 0.879371 S\n0.666667 0.333333 0.120629 S\n0.666667 0.333333 0.379371 S\n0.333333 0.666667 0.620629 S\n0.165845 0.834155 0.378795 S\n0.165845 0.331690 0.378795 S\n0.668310 0.834155 0.378795 S\n0.834155 0.165845 0.621205 S\n0.834155 0.668310 0.621205 S\n0.331690 0.165845 0.621205 S\n0.834155 0.165845 0.878795 S\n0.834155 0.668310 0.878795 S\n0.331690 0.165845 0.878795 S\n0.165845 0.834155 0.121205 S\n0.165845 0.331690 0.121205 S\n0.668310 0.834155 0.121205 S\n",
"nsites": 26,
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"elements": [
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"V",
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],
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"density": 4.744416514805814,
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"volume": 475.3589921171284,
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"formula_full": "Nb8 V2 S16",
"formula_reduced": "Nb4VS8",
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"energy": -202.84776948,
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"spacegroup": 194
},
{
"id": "mp-1196175",
"created_at": "2022-09-04T14:40:17.794414Z",
"structure_string": "Y4 Ni34\n1.0\n4.126183 -7.146759 0.000000\n4.126183 7.146759 0.000000\n0.000000 0.000000 8.016118\nY Ni\n4 34\ndirect\n0.000000 0.000000 0.250000 Y\n0.000000 0.000000 0.750000 Y\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n0.333333 0.666667 0.397159 Ni\n0.666667 0.333333 0.602841 Ni\n0.666667 0.333333 0.897159 Ni\n0.333333 0.666667 0.102841 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.000000 Ni\n0.327715 0.371671 0.250000 Ni\n0.628329 0.956044 0.250000 Ni\n0.043956 0.672285 0.250000 Ni\n0.628329 0.672285 0.250000 Ni\n0.043956 0.371671 0.250000 Ni\n0.327715 0.956044 0.250000 Ni\n0.672285 0.628329 0.750000 Ni\n0.371671 0.043956 0.750000 Ni\n0.956044 0.327715 0.750000 Ni\n0.371671 0.327715 0.750000 Ni\n0.956044 0.628329 0.750000 Ni\n0.672285 0.043956 0.750000 Ni\n0.165187 0.834813 0.521816 Ni\n0.165187 0.330374 0.521816 Ni\n0.669626 0.834813 0.521816 Ni\n0.834813 0.165187 0.478184 Ni\n0.834813 0.669626 0.478184 Ni\n0.330374 0.165187 0.478184 Ni\n0.834813 0.165187 0.021816 Ni\n0.834813 0.669626 0.021816 Ni\n0.330374 0.165187 0.021816 Ni\n0.165187 0.834813 0.978184 Ni\n0.165187 0.330374 0.978184 Ni\n0.669626 0.834813 0.978184 Ni\n",
"nsites": 38,
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"density": 8.258226039120972,
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"volume": 472.7719699552366,
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"formula_full": "Y4 Ni34",
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"spacegroup": 194
},
{
"id": "mp-1980704",
"created_at": "2022-09-04T14:40:17.814413Z",
"structure_string": "Li4 Fe2 Co4 O12\n1.0\n2.496788 4.406561 -0.331558\n-0.381817 -0.537623 10.109311\n4.988627 0.018118 -0.190918\nLi Fe Co O\n4 2 4 12\ndirect\n0.236801 0.747957 0.321324 Li\n0.430472 0.251069 0.339561 Li\n0.605025 0.750837 0.597865 Li\n0.789879 0.251109 0.613344 Li\n0.001352 0.000483 0.002343 Fe\n0.490956 0.499747 0.014016 Fe\n0.331666 0.000207 0.338173 Co\n0.827041 0.498800 0.338751 Co\n0.164992 0.500432 0.673122 Co\n0.664359 0.000404 0.674411 Co\n0.174278 0.601841 0.016394 O\n0.376942 0.102082 0.002799 O\n0.625709 0.899500 0.997029 O\n0.796145 0.395220 0.036519 O\n0.969814 0.897680 0.354873 O\n0.144545 0.386199 0.362289 O\n0.503446 0.614835 0.350157 O\n0.675841 0.102084 0.360046 O\n0.018219 0.102723 0.658120 O\n0.328174 0.898243 0.654409 O\n0.497937 0.391721 0.651503 O\n0.846406 0.606826 0.642948 O\n",
"nsites": 22,
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},
{
"id": "mp-1026455",
"created_at": "2022-09-04T14:40:17.822972Z",
"structure_string": "Mg14 Sb1 Mo1\n1.0\n6.281991 0.000000 0.000000\n-3.140995 5.440363 -0.000000\n-0.000000 0.000000 10.165231\nMg Sb Mo\n14 1 1\ndirect\n0.165628 0.832814 0.125000 Mg\n0.166431 0.833215 0.625000 Mg\n0.667186 0.334372 0.125000 Mg\n0.666785 0.333569 0.625000 Mg\n0.667186 0.832814 0.125000 Mg\n0.666785 0.833215 0.625000 Mg\n0.328529 0.171471 0.363640 Mg\n0.328529 0.171471 0.886360 Mg\n0.328529 0.657059 0.363640 Mg\n0.328529 0.657059 0.886360 Mg\n0.842941 0.171471 0.363640 Mg\n0.842941 0.171471 0.886360 Mg\n0.833333 0.666667 0.373186 Mg\n0.833333 0.666667 0.876814 Mg\n0.166667 0.333333 0.625000 Sb\n0.166667 0.333333 0.125000 Mo\n",
"nsites": 16,
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"density": 2.6669661665742814,
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"volume": 347.41010013671496,
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"formula_full": "Mg14 Sb1 Mo1",
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},
{
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}