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"results": [
{
"id": "mp-648086",
"created_at": "2022-09-04T14:40:22.632132Z",
"structure_string": "Gd2 Ga4 Co2\n1.0\n3.982947 -0.000069 -0.000762\n0.000205 4.031053 -0.930073\n-0.001978 -0.004404 9.214407\nGd Ga Co\n2 4 2\ndirect\n0.001535 0.138468 0.281923 Gd\n0.002002 0.860888 0.717744 Gd\n0.502441 0.292026 0.582863 Ga\n0.502864 0.708102 0.416911 Ga\n0.001762 0.500630 0.999981 Ga\n0.501039 0.003353 0.999807 Ga\n0.501690 0.428780 0.850152 Co\n0.502130 0.579264 0.149796 Co\n",
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"elements": [
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"density": 7.984247399097355,
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{
"id": "mp-1204531",
"created_at": "2022-09-04T14:40:24.349222Z",
"structure_string": "H46 Ru2 S4 N10 Cl2 O24\n1.0\n-0.017534 0.009084 6.470063\n-9.706790 -0.062827 1.570364\n-1.817065 -13.735860 2.581065\nH Ru S N Cl O\n46 2 4 10 2 24\ndirect\n0.845653 0.770593 0.217857 H\n0.154347 0.229407 0.782143 H\n0.672562 0.710833 0.310634 H\n0.327438 0.289167 0.689366 H\n0.628318 0.714812 0.197216 H\n0.371682 0.285188 0.802784 H\n0.064370 0.600826 0.368819 H\n0.935630 0.399174 0.631181 H\n0.239129 0.467021 0.331996 H\n0.760871 0.532979 0.668004 H\n0.224021 0.624032 0.261154 H\n0.775979 0.375968 0.738846 H\n0.861282 0.380725 0.425991 H\n0.138718 0.619275 0.574009 H\n0.682620 0.521353 0.411304 H\n0.317380 0.478647 0.588696 H\n0.641844 0.371216 0.381665 H\n0.358156 0.628784 0.618335 H\n0.201001 0.627198 0.105411 H\n0.798999 0.372802 0.894589 H\n0.174715 0.478539 0.067326 H\n0.825285 0.521461 0.932674 H\n0.989246 0.618455 0.055763 H\n0.010754 0.381545 0.944237 H\n0.981289 0.218590 0.265022 H\n0.018711 0.781410 0.734978 H\n0.199135 0.271056 0.287062 H\n0.800865 0.728944 0.712938 H\n0.168241 0.270805 0.171796 H\n0.831759 0.729195 0.828204 H\n0.628925 0.157757 0.581089 H\n0.371075 0.842243 0.418911 H\n0.792473 0.824921 0.966068 H\n0.207527 0.175079 0.033932 H\n0.684505 0.184503 0.132901 H\n0.315495 0.815497 0.867099 H\n0.748478 0.012556 0.557089 H\n0.251522 0.987444 0.442911 H\n0.792102 0.034430 0.352792 H\n0.207898 0.965570 0.647208 H\n0.724481 0.087805 0.049810 H\n0.275519 0.912195 0.950190 H\n0.625183 0.737933 0.029698 H\n0.374817 0.262067 0.970302 H\n0.615178 0.162985 0.347011 H\n0.384822 0.837015 0.652989 H\n0.912383 0.491912 0.237847 Ru\n0.087617 0.508088 0.762153 Ru\n0.729134 0.742239 0.503914 S\n0.270866 0.257761 0.496086 S\n0.736890 0.107266 0.845364 S\n0.263110 0.892734 0.154636 S\n0.745199 0.695380 0.240757 N\n0.254801 0.304620 0.759243 N\n0.137580 0.553672 0.307416 N\n0.862420 0.446328 0.692584 N\n0.756760 0.433691 0.380547 N\n0.243240 0.566309 0.619453 N\n0.093196 0.562031 0.100221 N\n0.906804 0.437969 0.899779 N\n0.090129 0.289776 0.239593 N\n0.909871 0.710224 0.760407 N\n0.665452 0.429112 0.165094 Cl\n0.334548 0.570888 0.834906 Cl\n0.584209 0.698386 0.445492 O\n0.415791 0.301614 0.554508 O\n0.637618 0.709024 0.611032 O\n0.362382 0.290976 0.388968 O\n0.940672 0.658060 0.485980 O\n0.059328 0.341940 0.514020 O\n0.737822 0.892094 0.479027 O\n0.262178 0.107906 0.520973 O\n0.613233 0.042016 0.788637 O\n0.386767 0.957984 0.211363 O\n0.616492 0.246174 0.870990 O\n0.383508 0.753826 0.129010 O\n0.761055 0.012757 0.936993 O\n0.238945 0.987243 0.063007 O\n0.940096 0.131896 0.784160 O\n0.059904 0.868104 0.215840 O\n0.763977 0.727206 0.986575 O\n0.236023 0.272794 0.013425 O\n0.752377 0.088737 0.595074 O\n0.247623 0.911263 0.404926 O\n0.766414 0.132723 0.326389 O\n0.233586 0.867277 0.673611 O\n0.751054 0.093965 0.115439 O\n0.248946 0.906035 0.884561 O\n",
"nsites": 88,
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"elements": [
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"Ru",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "Cl-H-N-O-Ru-S",
"density": 1.8724554701905847,
"density_atomic": 0.1021179799679559,
"volume": 861.7483427268534,
"volume_molar": 5.897238431361175,
"formula_full": "H46 Ru2 S4 N10 Cl2 O24",
"formula_reduced": "H23RuS2N5ClO12",
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"energy": -483.96852185,
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"updated_at": "2021-11-28T01:34:51.430000Z",
"spacegroup": 2
},
{
"id": "mp-1198402",
"created_at": "2022-09-04T14:40:24.351226Z",
"structure_string": "Th8 Fe56 B4\n1.0\n8.762631 0.000000 0.000000\n0.000000 8.762631 0.000000\n0.000000 0.000000 12.061489\nTh Fe B\n8 56 4\ndirect\n0.228644 0.771356 0.500000 Th\n0.771356 0.228644 0.500000 Th\n0.271356 0.271356 0.000000 Th\n0.728644 0.728644 0.000000 Th\n0.646362 0.646362 0.500000 Th\n0.353638 0.353638 0.500000 Th\n0.853638 0.146362 0.000000 Th\n0.146362 0.853638 0.000000 Th\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.115772 Fe\n0.000000 0.000000 0.615772 Fe\n0.500000 0.500000 0.884228 Fe\n0.000000 0.000000 0.384228 Fe\n0.181960 0.818040 0.253665 Fe\n0.818040 0.181960 0.253665 Fe\n0.318040 0.318040 0.753665 Fe\n0.681960 0.681960 0.753665 Fe\n0.818040 0.181960 0.746335 Fe\n0.181960 0.818040 0.746335 Fe\n0.681960 0.681960 0.246335 Fe\n0.318040 0.318040 0.246335 Fe\n0.402595 0.597405 0.298119 Fe\n0.597405 0.402595 0.298119 Fe\n0.097405 0.097405 0.798119 Fe\n0.902595 0.902595 0.798119 Fe\n0.597405 0.402595 0.701881 Fe\n0.402595 0.597405 0.701881 Fe\n0.902595 0.902595 0.201881 Fe\n0.097405 0.097405 0.201881 Fe\n0.140250 0.537521 0.324785 Fe\n0.859750 0.462479 0.324785 Fe\n0.359750 0.037521 0.824785 Fe\n0.640250 0.962479 0.824785 Fe\n0.859750 0.462479 0.675215 Fe\n0.140250 0.537521 0.675215 Fe\n0.640250 0.962479 0.175215 Fe\n0.359750 0.037521 0.175215 Fe\n0.537521 0.140250 0.324785 Fe\n0.462479 0.859750 0.324785 Fe\n0.037521 0.359750 0.824785 Fe\n0.962479 0.640250 0.824785 Fe\n0.462479 0.859750 0.675215 Fe\n0.537521 0.140250 0.675215 Fe\n0.962479 0.640250 0.175215 Fe\n0.037521 0.359750 0.175215 Fe\n0.933533 0.724066 0.372398 Fe\n0.066467 0.275934 0.372398 Fe\n0.566467 0.224066 0.872398 Fe\n0.433533 0.775934 0.872398 Fe\n0.066467 0.275934 0.627602 Fe\n0.933533 0.724066 0.627602 Fe\n0.433533 0.775934 0.127602 Fe\n0.566467 0.224066 0.127602 Fe\n0.724066 0.933533 0.372398 Fe\n0.275934 0.066467 0.372398 Fe\n0.224066 0.566467 0.872398 Fe\n0.775934 0.433533 0.872398 Fe\n0.275934 0.066467 0.627602 Fe\n0.724066 0.933533 0.627602 Fe\n0.775934 0.433533 0.127602 Fe\n0.224066 0.566467 0.127602 Fe\n0.877304 0.877304 0.500000 B\n0.122696 0.122696 0.500000 B\n0.622696 0.377304 0.000000 B\n0.377304 0.622696 0.000000 B\n",
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"volume": 926.1257775608026,
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"formula_full": "Th8 Fe56 B4",
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"spacegroup": 136
},
{
"id": "mp-1522854",
"created_at": "2022-09-04T14:40:24.352308Z",
"structure_string": "Ba1 Nd1 V4 O12\n1.0\n5.406662 0.000000 0.000000\n0.000000 5.406662 -0.000000\n0.000000 -0.000000 7.598428\nBa Nd V O\n1 1 4 12\ndirect\n0.500000 0.500000 -0.000000 Ba\n-0.000000 0.000000 0.500000 Nd\n-0.000000 0.500000 0.748182 V\n-0.000000 0.500000 0.251818 V\n0.500000 0.000000 0.748182 V\n0.500000 -0.000000 0.251818 V\n0.244570 0.244570 0.260307 O\n0.244570 0.244570 0.739693 O\n0.755430 0.755430 0.739693 O\n0.755430 0.755430 0.260307 O\n0.755430 0.244570 0.739693 O\n0.755430 0.244570 0.260307 O\n0.244570 0.755430 0.739693 O\n0.244570 0.755430 0.260307 O\n-0.000000 0.500000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 -0.000000 0.500000 O\n0.500000 -0.000000 0.000000 O\n",
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"formula_full": "Ba1 Nd1 V4 O12",
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"spacegroup": 123
},
{
"id": "mp-756800",
"created_at": "2022-09-04T14:40:23.355813Z",
"structure_string": "Li3 Cr1 Cu4 O8\n1.0\n2.829241 5.466134 0.000000\n-2.829241 5.466134 0.000000\n0.000000 2.681556 4.919749\nLi Cr Cu O\n3 1 4 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.288373 0.288373 0.246557 O\n0.231891 0.703916 0.769358 O\n0.703916 0.231891 0.769358 O\n0.799423 0.799423 0.239384 O\n0.200577 0.200577 0.760616 O\n0.296084 0.768109 0.230642 O\n0.768109 0.296084 0.230642 O\n0.711627 0.711627 0.753443 O\n",
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"volume": 152.16793913982,
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"formula_full": "Li3 Cr1 Cu4 O8",
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{
"id": "mp-752696",
"created_at": "2022-09-04T14:40:24.337660Z",
"structure_string": "Li6 Fe2 P2 C2 O14\n1.0\n0.875630 4.946664 -0.001958\n0.002009 -0.002691 6.447550\n8.641350 -0.386178 0.002903\nLi Fe P C O\n6 2 2 2 14\ndirect\n0.062591 0.112927 0.117619 Li\n0.404116 0.613401 0.970089 Li\n0.498110 0.494017 0.341325 Li\n0.502809 0.018463 0.326363 Li\n0.968146 0.993121 0.747257 Li\n0.962951 0.516753 0.762150 Li\n0.016857 0.752746 0.378084 Fe\n0.449910 0.253070 0.709569 Fe\n0.975166 0.259514 0.447550 P\n0.491498 0.759735 0.640280 P\n0.586793 0.214156 0.001162 C\n0.880030 0.713879 0.086474 C\n0.124045 0.779430 0.095068 O\n0.715990 0.706442 0.217224 O\n0.666110 0.160562 0.130435 O\n0.079332 0.064995 0.349630 O\n0.098333 0.446748 0.351679 O\n0.400078 0.757287 0.477005 O\n0.660560 0.263582 0.466630 O\n0.806076 0.763277 0.621173 O\n0.066639 0.256305 0.610766 O\n0.386508 0.564970 0.738043 O\n0.369106 0.946730 0.736379 O\n0.800699 0.661328 0.957028 O\n0.751097 0.207840 0.870429 O\n0.342787 0.279361 0.992687 O\n",
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"volume_molar": 6.4341059193967105,
"formula_full": "Li6 Fe2 P2 C2 O14",
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"formula_anonymous": "ABCD3E7",
"energy": -187.84631014,
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{
"id": "mp-1221520",
"created_at": "2022-09-04T14:40:23.360193Z",
"structure_string": "Mn1 Zn1 Cd1 Te3\n1.0\n-2.254087 2.259918 9.572860\n2.254087 -2.259918 9.572860\n2.254087 2.259918 -9.572860\nMn Zn Cd Te\n1 1 1 3\ndirect\n0.670366 0.670366 0.000000 Mn\n0.330824 0.330824 0.000000 Zn\n0.998670 0.998670 0.000000 Cd\n0.752067 0.252067 0.500000 Te\n0.089731 0.589731 0.500000 Te\n0.408345 0.908345 0.500000 Te\n",
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"formula_full": "Mn1 Zn1 Cd1 Te3",
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{
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