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{
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{
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"formula_full": "Mg12 V2 Mo2",
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"spacegroup": 38
},
{
"id": "mp-1219763",
"created_at": "2022-09-04T14:47:04.154590Z",
"structure_string": "Pu2 Al4 Ga4\n1.0\n-2.153159 3.136266 6.900780\n2.153159 -3.136266 6.900780\n2.153159 3.136266 -6.900780\nPu Al Ga\n2 4 4\ndirect\n0.135638 0.885638 0.250000 Pu\n0.864362 0.114362 0.750000 Pu\n0.356277 0.106277 0.250000 Al\n0.643723 0.893723 0.750000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.667071 0.696893 0.970178 Ga\n0.332929 0.303107 0.029822 Ga\n0.773285 0.303107 0.470178 Ga\n0.226715 0.696893 0.529822 Ga\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Al-Ga-Pu",
"density": 7.793269944018978,
"density_atomic": 0.05364791341346489,
"volume": 186.400539438131,
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"formula_full": "Pu2 Al4 Ga4",
"formula_reduced": "Pu(AlGa)2",
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"spacegroup": 74
},
{
"id": "mp-975050",
"created_at": "2022-09-04T14:47:11.405021Z",
"structure_string": "Rb3 Co1\n1.0\n0.000000 4.649531 4.649531\n4.649531 0.000000 4.649531\n4.649531 4.649531 0.000000\nRb Co\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
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"elements": [
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"density": 2.604749915833711,
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"volume": 201.02841042170553,
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"formula_full": "Rb3 Co1",
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},
{
"id": "mp-1226984",
"created_at": "2022-09-04T14:47:03.971347Z",
"structure_string": "La20 Ga6 Co14\n1.0\n4.034480 0.000000 0.000000\n0.000000 10.002123 0.000000\n0.000000 0.000000 23.892743\nLa Ga Co\n20 6 14\ndirect\n0.000000 0.652753 0.555214 La\n0.000000 0.347247 0.055214 La\n0.500000 0.847348 0.443638 La\n0.500000 0.152652 0.943638 La\n0.000000 0.487369 0.689844 La\n0.000000 0.512631 0.189844 La\n0.500000 0.001240 0.304526 La\n0.500000 0.998760 0.804526 La\n0.000000 0.111488 0.521632 La\n0.000000 0.888512 0.021632 La\n0.500000 0.391912 0.480674 La\n0.500000 0.608088 0.980674 La\n0.000000 0.701435 0.856087 La\n0.000000 0.298565 0.356087 La\n0.500000 0.805870 0.156204 La\n0.500000 0.194130 0.656204 La\n0.000000 0.865655 0.683556 La\n0.000000 0.134345 0.183556 La\n0.500000 0.639862 0.308865 La\n0.500000 0.360138 0.808865 La\n0.500000 0.316962 0.252513 Ga\n0.500000 0.683038 0.752513 Ga\n0.000000 0.396916 0.914403 Ga\n0.000000 0.603084 0.414403 Ga\n0.500000 0.102956 0.082606 Ga\n0.500000 0.897044 0.582606 Ga\n0.000000 0.181596 0.856737 Co\n0.000000 0.818404 0.356737 Co\n0.500000 0.311334 0.142631 Co\n0.500000 0.688666 0.642632 Co\n0.000000 0.642673 0.077157 Co\n0.000000 0.357327 0.577157 Co\n0.500000 0.856265 0.922978 Co\n0.500000 0.143735 0.422978 Co\n0.000000 0.959317 0.898808 Co\n0.000000 0.040683 0.398808 Co\n0.500000 0.547746 0.101933 Co\n0.500000 0.452254 0.601933 Co\n0.000000 0.196171 0.749993 Co\n0.000000 0.803829 0.249993 Co\n",
"nsites": 40,
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"elements": [
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],
"chemical_system": "Co-Ga-La",
"density": 6.9261630471663285,
"density_atomic": 0.04148720925147163,
"volume": 964.152583933592,
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"formula_full": "La20 Ga6 Co14",
"formula_reduced": "La10Ga3Co7",
"formula_anonymous": "A3B7C10",
"energy": -226.15693884,
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"updated_at": "2021-11-28T01:37:51.858000Z",
"spacegroup": 26
},
{
"id": "mp-1383237",
"created_at": "2022-09-04T14:47:04.438159Z",
"structure_string": "Zn1 Fe4 O8\n1.0\n5.275568 -2.940922 0.000000\n5.275568 2.940922 0.000000\n3.636120 0.000000 4.822787\nZn Fe O\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.280723 0.755995 0.755995 O\n0.244005 0.244005 0.719277 O\n0.719277 0.244005 0.244005 O\n0.244005 0.719277 0.244005 O\n0.267282 0.267282 0.267282 O\n0.732718 0.732718 0.732718 O\n0.755995 0.280723 0.755995 O\n0.755995 0.755995 0.280723 O\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Fe-O-Zn",
"density": 4.624657083983224,
"density_atomic": 0.0868685442416804,
"volume": 149.65140849871028,
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"formula_full": "Zn1 Fe4 O8",
"formula_reduced": "Zn(FeO2)4",
"formula_anonymous": "AB4C8",
"energy": -92.57776546,
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},
{
"id": "mp-1042542",
"created_at": "2022-09-04T14:47:04.439621Z",
"structure_string": "Mg8 V16 Co8 O56\n1.0\n14.172507 0.000000 0.000000\n0.000000 6.591048 0.000000\n0.000000 2.260984 11.621501\nMg V Co O\n8 16 8 56\ndirect\n0.506286 0.964901 0.735456 Mg\n0.870516 0.696872 0.926250 Mg\n0.370516 0.303128 0.573750 Mg\n0.129484 0.303128 0.073750 Mg\n0.629484 0.696872 0.426250 Mg\n0.993714 0.964901 0.235456 Mg\n0.493714 0.035099 0.264544 Mg\n0.006286 0.035099 0.764544 Mg\n0.898034 0.177896 0.984446 V\n0.013731 0.564504 0.684404 V\n0.486269 0.564504 0.184404 V\n0.986269 0.435496 0.315596 V\n0.709917 0.500139 0.787942 V\n0.209917 0.499861 0.712058 V\n0.290083 0.499861 0.212058 V\n0.790083 0.500139 0.287942 V\n0.513731 0.435496 0.815596 V\n0.139929 0.129941 0.496104 V\n0.639929 0.870059 0.003896 V\n0.860071 0.870059 0.503896 V\n0.398034 0.822104 0.515554 V\n0.601966 0.177896 0.484446 V\n0.101966 0.822104 0.015554 V\n0.360071 0.129941 0.996104 V\n0.691289 0.368078 0.059270 Co\n0.191289 0.631922 0.440730 Co\n0.308711 0.631922 0.940730 Co\n0.808711 0.368078 0.559270 Co\n0.764802 0.010642 0.226810 Co\n0.264802 0.989358 0.273190 Co\n0.235198 0.989358 0.773190 Co\n0.735198 0.010642 0.726810 Co\n0.007080 0.279562 0.980803 O\n0.507080 0.720438 0.519197 O\n0.992920 0.720438 0.019197 O\n0.492920 0.279562 0.480803 O\n0.888735 0.019339 0.879351 O\n0.388735 0.980661 0.620649 O\n0.111265 0.980661 0.120649 O\n0.611265 0.019339 0.379351 O\n0.880761 0.032827 0.124546 O\n0.380761 0.967173 0.375454 O\n0.119239 0.967173 0.875454 O\n0.619239 0.032827 0.624546 O\n0.269048 0.307455 0.974904 O\n0.769048 0.692545 0.525096 O\n0.730952 0.692545 0.025096 O\n0.230952 0.307455 0.474904 O\n0.376459 0.029634 0.142422 O\n0.876459 0.970366 0.357578 O\n0.623541 0.970366 0.857578 O\n0.123541 0.029634 0.642422 O\n0.332527 0.944852 0.910544 O\n0.455825 0.661955 0.812314 O\n0.832527 0.055148 0.589456 O\n0.167473 0.944852 0.410544 O\n0.471685 0.284255 0.722740 O\n0.971685 0.715745 0.777260 O\n0.528315 0.715745 0.277260 O\n0.028315 0.284255 0.222740 O\n0.463932 0.266294 0.948182 O\n0.963932 0.733706 0.551818 O\n0.536068 0.733706 0.051818 O\n0.036068 0.266294 0.448182 O\n0.889547 0.570081 0.205448 O\n0.389547 0.429919 0.294552 O\n0.110453 0.429919 0.794552 O\n0.610453 0.570081 0.705448 O\n0.739551 0.311764 0.221196 O\n0.239551 0.688236 0.278804 O\n0.260449 0.688236 0.778804 O\n0.760449 0.311764 0.721196 O\n0.683217 0.388936 0.453847 O\n0.183217 0.611064 0.046153 O\n0.316783 0.611064 0.546153 O\n0.816783 0.388936 0.953847 O\n0.724855 0.723541 0.286680 O\n0.224855 0.276459 0.213320 O\n0.275145 0.276459 0.713320 O\n0.775145 0.723541 0.786680 O\n0.870561 0.406644 0.406013 O\n0.370561 0.593356 0.093987 O\n0.129439 0.593356 0.593987 O\n0.629439 0.406644 0.906013 O\n0.044175 0.661955 0.312314 O\n0.544175 0.338045 0.187686 O\n0.955825 0.338045 0.687686 O\n0.667473 0.055148 0.089456 O\n",
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"spacegroup": 14
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{
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"structure_string": "Ce3 Dy1\n1.0\n-2.427191 2.427192 4.907063\n2.427191 -2.427192 4.907063\n2.427192 2.427192 -4.907063\nCe Dy\n3 1\ndirect\n0.750000 0.250000 0.500000 Ce\n0.250000 0.750000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Dy\n",
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{
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"structure_string": "Y1 V1 Fe11 H1\n1.0\n0.000000 0.000000 4.716609\n-4.225762 4.233396 2.358304\n-4.225762 -4.233396 -2.358304\nY V Fe H\n1 1 11 1\ndirect\n0.005342 0.994658 0.005342 Y\n0.630814 0.369186 0.630814 V\n0.727552 0.772448 0.227552 Fe\n0.271852 0.228148 0.771852 Fe\n0.499172 0.775837 0.774181 Fe\n0.499172 0.225819 0.224163 Fe\n0.500908 0.999433 0.501127 Fe\n0.000786 0.999433 0.501127 Fe\n0.500908 0.498873 0.000567 Fe\n0.000786 0.498873 0.000567 Fe\n0.363831 0.636169 0.363831 Fe\n0.999100 0.360068 0.358268 Fe\n0.999100 0.641732 0.639932 Fe\n0.500676 0.999324 0.000676 H\n",
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{
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"structure_string": "Y5 Mg1 Mo2 O12\n1.0\n5.954918 0.000000 0.000000\n-2.977459 5.914053 -1.864907\n0.000000 0.034553 7.476143\nY Mg Mo O\n5 1 2 12\ndirect\n0.500000 0.000000 0.500000 Y\n0.196674 0.393347 0.856198 Y\n0.803326 0.606653 0.143802 Y\n0.793668 0.587336 0.646829 Y\n0.206332 0.412664 0.353171 Y\n0.000000 0.000000 0.500000 Mg\n0.714328 0.000000 0.000000 Mo\n0.285672 0.000000 0.000000 Mo\n0.002204 0.004407 0.799321 O\n0.997796 0.995593 0.200679 O\n0.481545 0.963090 0.201381 O\n0.518455 0.036910 0.798619 O\n0.629473 0.720056 0.440374 O\n0.909417 0.279944 0.559626 O\n0.370527 0.279944 0.559626 O\n0.404581 0.345324 0.100213 O\n0.059258 0.654676 0.899787 O\n0.595419 0.654676 0.899787 O\n0.940742 0.345324 0.100213 O\n0.090583 0.720056 0.440374 O\n",
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{
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"elements": [
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"chemical_system": "Fe-Gd-O",
"density": 7.2955931165776615,
"density_atomic": 0.08413679232339408,
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"formula_reduced": "GdFeO3",
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]
}