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"results": [
{
"id": "mp-1210632",
"created_at": "2022-09-04T14:48:25.105325Z",
"structure_string": "Nd12 Co6 Pb1\n1.0\n-5.032263 5.032263 5.032263\n5.032263 -5.032263 5.032263\n5.032263 5.032263 -5.032263\nNd Co Pb\n12 6 1\ndirect\n0.809106 0.691473 0.500579 Nd\n0.190894 0.308527 0.499421 Nd\n0.190894 0.691473 0.882367 Nd\n0.809106 0.308527 0.117633 Nd\n0.691473 0.500579 0.809106 Nd\n0.308527 0.499421 0.190894 Nd\n0.691473 0.882367 0.190894 Nd\n0.308527 0.117633 0.809106 Nd\n0.500579 0.809106 0.691473 Nd\n0.499421 0.190894 0.308527 Nd\n0.117633 0.809106 0.308527 Nd\n0.882367 0.190894 0.691473 Nd\n0.889705 0.389705 0.500000 Co\n0.110295 0.610295 0.500000 Co\n0.389705 0.500000 0.889705 Co\n0.610295 0.500000 0.110295 Co\n0.500000 0.889705 0.389705 Co\n0.500000 0.110295 0.610295 Co\n0.000000 0.000000 0.000000 Pb\n",
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"formula_full": "Nd12 Co6 Pb1",
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},
{
"id": "mp-1174329",
"created_at": "2022-09-04T14:48:17.279380Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n4.681270 0.137610 1.718051\n-0.764918 4.912986 -3.138234\n-0.385398 0.187902 5.864087\nLi Mn Co O\n5 2 1 8\ndirect\n0.999999 0.499242 0.499242 Li\n0.002038 0.496408 0.996900 Li\n0.997959 0.996903 0.496408 Li\n0.504391 0.252556 0.750160 Li\n0.495610 0.750165 0.252556 Li\n0.000009 0.997524 0.997547 Mn\n0.499995 0.745281 0.745273 Mn\n0.499997 0.264192 0.264189 Co\n0.747884 0.653972 0.876986 O\n0.252112 0.876991 0.653975 O\n0.752754 0.119794 0.338563 O\n0.247248 0.338558 0.119797 O\n0.278661 0.399844 0.631357 O\n0.721341 0.631359 0.399840 O\n0.245785 0.874875 0.102334 O\n0.754218 0.102338 0.874875 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.89259203192852,
"density_atomic": 0.11313938553826378,
"volume": 141.41848061026278,
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"formula_full": "Li5 Mn2 Co1 O8",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy": -107.09547526,
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"updated_at": "2021-11-28T01:38:54.706000Z",
"spacegroup": 5
},
{
"id": "mp-1039919",
"created_at": "2022-09-04T14:48:25.124920Z",
"structure_string": "La1 Hf1 Mg30 O32\n1.0\n8.726552 0.000000 0.000000\n0.000000 8.726552 0.000000\n0.000000 0.000000 8.682944\nLa Hf Mg O\n1 1 30 32\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255954 0.255954 0.000000 Mg\n0.744046 0.255954 0.000000 Mg\n0.255954 0.744046 0.000000 Mg\n0.744046 0.744046 0.000000 Mg\n0.250401 0.250401 0.500000 Mg\n0.749599 0.250401 0.500000 Mg\n0.250401 0.749599 0.500000 Mg\n0.749599 0.749599 0.500000 Mg\n0.257803 0.000000 0.258793 Mg\n0.742197 0.000000 0.258793 Mg\n0.245305 0.500000 0.254855 Mg\n0.754695 0.500000 0.254855 Mg\n0.257803 0.000000 0.741207 Mg\n0.742197 0.000000 0.741207 Mg\n0.245305 0.500000 0.745145 Mg\n0.754695 0.500000 0.745145 Mg\n0.000000 0.257803 0.258793 Mg\n0.500000 0.245305 0.254855 Mg\n0.000000 0.742197 0.258793 Mg\n0.500000 0.754695 0.254855 Mg\n0.000000 0.257803 0.741207 Mg\n0.500000 0.245305 0.745145 Mg\n0.000000 0.742197 0.741207 Mg\n0.500000 0.754695 0.745145 Mg\n0.000000 0.000000 0.267860 O\n0.500000 0.000000 0.254436 O\n0.000000 0.500000 0.254436 O\n0.500000 0.500000 0.248199 O\n0.000000 0.000000 0.732140 O\n0.500000 0.000000 0.745564 O\n0.000000 0.500000 0.745564 O\n0.500000 0.500000 0.751801 O\n0.249471 0.249471 0.249863 O\n0.750529 0.249471 0.249863 O\n0.249471 0.750529 0.249863 O\n0.750529 0.750529 0.249863 O\n0.249471 0.249471 0.750137 O\n0.750529 0.249471 0.750137 O\n0.249471 0.750529 0.750137 O\n0.750529 0.750529 0.750137 O\n0.267051 0.000000 0.000000 O\n0.732949 0.000000 0.000000 O\n0.243502 0.500000 0.000000 O\n0.756498 0.500000 0.000000 O\n0.253390 0.000000 0.500000 O\n0.746610 0.000000 0.500000 O\n0.251602 0.500000 0.500000 O\n0.748398 0.500000 0.500000 O\n0.000000 0.267051 0.000000 O\n0.500000 0.243502 0.000000 O\n0.000000 0.732949 0.000000 O\n0.500000 0.756498 0.000000 O\n0.000000 0.253390 0.500000 O\n0.500000 0.251602 0.500000 O\n0.000000 0.746610 0.500000 O\n0.500000 0.748398 0.500000 O\n",
"nsites": 64,
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"elements": [
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"Hf",
"Mg",
"O"
],
"chemical_system": "Hf-La-Mg-O",
"density": 3.913910249426895,
"density_atomic": 0.09678935863819936,
"volume": 661.2297147172277,
"volume_molar": 6.221903776127796,
"formula_full": "La1 Hf1 Mg30 O32",
"formula_reduced": "LaHfMg30O32",
"formula_anonymous": "ABC30D32",
"energy": -408.67112052,
"energy_per_atom": -6.385486258125,
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"updated_at": "2021-11-28T01:39:43.067000Z",
"spacegroup": 123
},
{
"id": "mp-1222591",
"created_at": "2022-09-04T14:48:17.280526Z",
"structure_string": "Li3 Al2 Co1 O6\n1.0\n1.429165 -2.475386 0.000000\n1.429165 2.475386 0.000000\n0.000000 0.000000 14.427327\nLi Al Co O\n3 2 1 6\ndirect\n0.666667 0.333333 0.832334 Li\n0.333333 0.666667 0.167666 Li\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.333142 Al\n0.333333 0.666667 0.666858 Al\n0.000000 0.000000 0.000000 Co\n0.333333 0.666667 0.921606 O\n0.000000 0.000000 0.262740 O\n0.666667 0.333333 0.595848 O\n0.666667 0.333333 0.078394 O\n0.333333 0.666667 0.404152 O\n0.000000 0.000000 0.737260 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Al",
"Co",
"O"
],
"chemical_system": "Al-Co-Li-O",
"density": 3.7367887766265686,
"density_atomic": 0.11755472038364537,
"volume": 102.08012031194863,
"volume_molar": 5.122840444302415,
"formula_full": "Li3 Al2 Co1 O6",
"formula_reduced": "Li3Al2CoO6",
"formula_anonymous": "AB2C3D6",
"energy": -81.3691443,
"energy_per_atom": -6.7807620250000005,
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"updated_at": "2021-11-28T01:38:53.985000Z",
"spacegroup": 164
},
{
"id": "mp-1028420",
"created_at": "2022-09-04T14:48:25.139761Z",
"structure_string": "Mo3 W1 Se8\n1.0\n1.661835 -2.878382 0.000000\n1.661835 2.878382 0.000000\n0.000000 0.000000 37.824914\nMo W Se\n3 1 8\ndirect\n0.333333 0.666667 0.093920 Mo\n0.333333 0.666667 0.469658 Mo\n0.666667 0.333333 0.281800 Mo\n0.666667 0.333333 0.657538 W\n0.333333 0.666667 0.326115 Se\n0.333333 0.666667 0.702067 Se\n0.666667 0.333333 0.049627 Se\n0.666667 0.333333 0.425359 Se\n0.666667 0.333333 0.138228 Se\n0.666667 0.333333 0.513945 Se\n0.333333 0.666667 0.237486 Se\n0.333333 0.666667 0.613005 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"W",
"Se"
],
"chemical_system": "Mo-Se-W",
"density": 5.063072941701715,
"density_atomic": 0.033161714006864844,
"volume": 361.86308094677696,
"volume_molar": 18.15992007757304,
"formula_full": "Mo3 W1 Se8",
"formula_reduced": "Mo3WSe8",
"formula_anonymous": "AB3C8",
"energy": -84.95810039999999,
"energy_per_atom": -7.079841699999999,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:39:40.213000Z",
"spacegroup": 156
},
{
"id": "mp-1227867",
"created_at": "2022-09-04T14:48:25.142730Z",
"structure_string": "Ca4 Mn2 Fe2 Si8 H10 O30\n1.0\n6.647237 0.000000 0.000000\n1.978273 9.871853 0.000000\n2.908662 3.796398 9.476879\nCa Mn Fe Si H O\n4 2 2 8 10 30\ndirect\n0.410236 0.196474 0.467772 Ca\n0.589764 0.803526 0.532228 Ca\n0.356965 0.618128 0.360916 Ca\n0.643035 0.381872 0.639084 Ca\n0.277584 0.008928 0.292819 Mn\n0.722416 0.991072 0.707181 Mn\n0.877292 0.123715 0.896378 Fe\n0.122708 0.876285 0.103622 Fe\n0.347151 0.185550 0.923290 Si\n0.652849 0.814450 0.076710 Si\n0.138500 0.407902 0.691362 Si\n0.861500 0.592098 0.308638 Si\n0.210194 0.896974 0.778634 Si\n0.789806 0.103026 0.221366 Si\n0.084464 0.754508 0.607663 Si\n0.915536 0.245492 0.392337 Si\n0.566719 0.425794 0.191047 H\n0.433281 0.574206 0.808953 H\n0.335130 0.450799 0.180870 H\n0.664870 0.549201 0.819130 H\n0.509142 0.204160 0.070898 H\n0.490858 0.795840 0.929102 H\n0.198981 0.458997 0.987389 H\n0.801019 0.541003 0.012611 H\n0.214213 0.618123 0.987538 H\n0.785787 0.381877 0.012462 H\n0.272207 0.795583 0.464936 O\n0.727793 0.204417 0.535064 O\n0.317195 0.392691 0.556461 O\n0.682805 0.607309 0.443539 O\n0.357953 0.190418 0.075419 O\n0.642047 0.809582 0.924581 O\n0.937117 0.315682 0.741180 O\n0.062883 0.684318 0.258820 O\n0.425257 0.427790 0.250761 O\n0.574743 0.572210 0.749239 O\n0.002532 0.988330 0.231456 O\n0.997468 0.011670 0.768544 O\n0.268479 0.354546 0.821865 O\n0.731521 0.645454 0.178135 O\n0.420713 0.971114 0.667748 O\n0.579287 0.028886 0.332252 O\n0.053457 0.580418 0.653894 O\n0.946543 0.419582 0.346106 O\n0.180855 0.762677 0.732406 O\n0.819145 0.237323 0.267594 O\n0.588377 0.149355 0.843040 O\n0.411623 0.850645 0.156960 O\n0.861557 0.849795 0.594978 O\n0.138443 0.150205 0.405022 O\n0.172501 0.081609 0.944615 O\n0.827499 0.918391 0.055385 O\n0.245185 0.806840 0.941900 O\n0.754815 0.193160 0.058100 O\n0.261210 0.512419 0.023756 O\n0.738790 0.487581 0.976244 O\n",
"nsites": 56,
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"elements": [
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],
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"density": 2.928204900563647,
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"volume": 621.8779792854368,
"volume_molar": 6.687565583573687,
"formula_full": "Ca4 Mn2 Fe2 Si8 H10 O30",
"formula_reduced": "Ca2MnFeSi4(HO3)5",
"formula_anonymous": "ABC2D4E5F15",
"energy": -412.79043207,
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"updated_at": "2021-11-28T01:39:03.637000Z",
"spacegroup": 2
},
{
"id": "mp-757988",
"created_at": "2022-09-04T14:48:17.369764Z",
"structure_string": "Li16 Fe4 Si8 O28\n1.0\n-6.690566 -2.737715 0.065728\n-0.587071 0.001764 8.115296\n-6.692220 8.217244 0.067987\nLi Fe Si O\n16 4 8 28\ndirect\n0.054536 0.875579 0.791698 Li\n0.554453 0.875626 0.291664 Li\n0.214822 0.375567 0.631389 Li\n0.714765 0.375581 0.131402 Li\n0.850641 0.593246 0.734932 Li\n0.350691 0.593221 0.234910 Li\n0.027790 0.093233 0.557839 Li\n0.527656 0.093278 0.057924 Li\n0.157411 0.946683 0.288705 Li\n0.657343 0.946705 0.788705 Li\n0.011695 0.446698 0.434312 Li\n0.511697 0.446683 0.934326 Li\n0.401796 0.021789 0.592470 Li\n0.901727 0.021716 0.092454 Li\n0.089563 0.521819 0.904647 Li\n0.589551 0.521792 0.404639 Li\n0.306805 0.798165 0.992792 Fe\n0.142077 0.297899 0.157002 Fe\n0.806879 0.797641 0.492770 Fe\n0.642792 0.297435 0.657156 Fe\n0.209905 0.738175 0.517628 Si\n0.709832 0.738113 0.017633 Si\n0.881553 0.238181 0.846245 Si\n0.381473 0.238063 0.346185 Si\n0.945783 0.671085 0.202328 Si\n0.445844 0.671117 0.702281 Si\n0.776144 0.171283 0.371691 Si\n0.276206 0.171320 0.871716 Si\n0.364920 0.605483 0.578750 O\n0.864988 0.605384 0.078758 O\n0.050493 0.105120 0.893487 O\n0.550475 0.105110 0.393489 O\n0.175381 0.903242 0.603469 O\n0.675444 0.903211 0.103432 O\n0.993439 0.403130 0.785887 O\n0.493422 0.402982 0.285873 O\n0.311515 0.771270 0.361111 O\n0.811474 0.771343 0.861112 O\n0.196993 0.271526 0.474889 O\n0.697001 0.271499 0.974868 O\n0.007724 0.640776 0.544961 O\n0.507828 0.640416 0.044891 O\n0.821916 0.140692 0.731447 O\n0.321902 0.140472 0.231451 O\n0.090050 0.521777 0.237007 O\n0.589991 0.521684 0.736912 O\n0.900030 0.021908 0.426553 O\n0.400080 0.021940 0.926523 O\n0.069321 0.836028 0.150062 O\n0.569267 0.836108 0.650089 O\n0.759695 0.336061 0.459558 O\n0.259774 0.336105 0.959572 O\n0.758245 0.706927 0.331220 O\n0.258313 0.706999 0.831251 O\n0.875950 0.206904 0.213438 O\n0.375885 0.206937 0.713484 O\n",
"nsites": 56,
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"elements": [
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],
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"density": 2.813388250870176,
"density_atomic": 0.09420948356107123,
"volume": 594.4199870674171,
"volume_molar": 6.392287201209581,
"formula_full": "Li16 Fe4 Si8 O28",
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"energy": -397.00208134,
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"spacegroup": 9
},
{
"id": "mp-1174736",
"created_at": "2022-09-04T14:48:25.148494Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.464629 9.796495 0.000000\n-1.464629 9.796495 0.000000\n0.000000 4.301625 8.786571\nLi Mn Co O\n8 2 4 14\ndirect\n0.082484 0.082484 0.213793 Li\n0.780721 0.780721 0.353543 Li\n0.506158 0.506158 0.499351 Li\n0.213131 0.213131 0.648917 Li\n0.928291 0.928291 0.787491 Li\n0.648427 0.648427 0.926678 Li\n0.346257 0.346257 0.073155 Li\n0.714126 0.714126 0.144716 Li\n0.000802 0.000802 0.002074 Mn\n0.858155 0.858155 0.570465 Mn\n0.429254 0.429254 0.286037 Co\n0.148357 0.148357 0.406838 Co\n0.577494 0.577494 0.699019 Co\n0.278987 0.278987 0.880592 Co\n0.526693 0.526693 0.106360 O\n0.246071 0.246071 0.264125 O\n0.955970 0.955970 0.385486 O\n0.674360 0.674360 0.546276 O\n0.390200 0.390200 0.659536 O\n0.098009 0.098009 0.831897 O\n0.824341 0.824341 0.951963 O\n0.607355 0.607355 0.327605 O\n0.331906 0.331906 0.465495 O\n0.037564 0.037564 0.614947 O\n0.761277 0.761277 0.737278 O\n0.470929 0.470929 0.907730 O\n0.182800 0.182800 0.023278 O\n0.902797 0.902797 0.185354 O\n",
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"formula_full": "Li8 Mn2 Co4 O14",
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}