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{
"id": "mp-1216329",
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"structure_string": "V1 Fe4\n1.0\n-1.443163 -1.424918 1.424918\n-1.443163 1.424918 -1.424918\n-1.443163 -7.115968 -7.115968\nV Fe\n1 4\ndirect\n0.000000 0.000000 0.000000 V\n0.399228 0.399228 0.201544 Fe\n0.800242 0.800242 0.399516 Fe\n0.199758 0.199758 0.600484 Fe\n0.600772 0.600772 0.798456 Fe\n",
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{
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"structure_string": "Hf2 Si1 Te2\n1.0\n3.020417 0.000000 0.000000\n0.000000 3.020417 0.000000\n0.000000 0.000000 14.974733\nHf Si Te\n2 1 2\ndirect\n0.500000 0.500000 0.176682 Hf\n0.500000 0.500000 0.823318 Hf\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.628360 Te\n0.500000 0.500000 0.371640 Te\n",
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{
"id": "mp-705743",
"created_at": "2022-09-04T14:42:58.799889Z",
"structure_string": "Ta16 Mn8 O48\n1.0\n17.514721 4.815532 0.000000\n-17.514721 4.815532 0.000000\n0.000000 0.085160 5.189395\nTa Mn O\n16 8 48\ndirect\n0.882650 0.607305 0.244148 Ta\n0.057389 0.942611 0.250000 Ta\n0.224747 0.282203 0.244442 Ta\n0.392695 0.117350 0.255852 Ta\n0.560466 0.947663 0.257757 Ta\n0.717797 0.775253 0.255558 Ta\n0.723139 0.276861 0.250000 Ta\n0.052337 0.439534 0.242243 Ta\n0.282203 0.224747 0.744442 Ta\n0.607305 0.882650 0.744148 Ta\n0.775253 0.717797 0.755558 Ta\n0.942611 0.057389 0.750000 Ta\n0.947663 0.560466 0.757757 Ta\n0.117350 0.392695 0.755852 Ta\n0.276861 0.723139 0.750000 Ta\n0.439534 0.052337 0.742243 Ta\n0.556373 0.443627 0.250000 Mn\n0.389248 0.610752 0.250000 Mn\n0.885396 0.114604 0.250000 Mn\n0.220673 0.779327 0.250000 Mn\n0.114604 0.885396 0.750000 Mn\n0.443627 0.556373 0.750000 Mn\n0.610752 0.389248 0.750000 Mn\n0.779327 0.220673 0.750000 Mn\n0.364416 0.330682 0.063763 O\n0.699866 0.002498 0.061799 O\n0.482567 0.273986 0.098606 O\n0.044115 0.673989 0.061064 O\n0.893232 0.849124 0.081626 O\n0.986602 0.781727 0.109237 O\n0.827322 0.948297 0.075632 O\n0.207606 0.505408 0.070849 O\n0.311842 0.437407 0.099287 O\n0.161063 0.615496 0.076749 O\n0.555436 0.179337 0.084130 O\n0.647843 0.112277 0.116835 O\n0.218273 0.013398 0.390763 O\n0.562593 0.688158 0.400713 O\n0.887723 0.352157 0.383165 O\n0.150876 0.106768 0.418374 O\n0.726014 0.517433 0.401394 O\n0.494592 0.792394 0.429151 O\n0.051703 0.172678 0.424368 O\n0.820663 0.444564 0.415870 O\n0.669318 0.635584 0.436237 O\n0.384504 0.838937 0.423251 O\n0.997502 0.300134 0.438201 O\n0.326011 0.955885 0.438936 O\n0.002498 0.699866 0.561799 O\n0.330682 0.364416 0.563763 O\n0.948297 0.827322 0.575632 O\n0.673989 0.044115 0.561064 O\n0.505408 0.207606 0.570849 O\n0.273986 0.482567 0.598606 O\n0.849124 0.893232 0.581626 O\n0.615496 0.161063 0.576749 O\n0.179337 0.555436 0.584130 O\n0.437407 0.311842 0.599287 O\n0.781727 0.986602 0.609237 O\n0.112277 0.647843 0.616835 O\n0.688158 0.562593 0.900713 O\n0.792394 0.494592 0.929151 O\n0.172678 0.051703 0.924368 O\n0.013398 0.218273 0.890763 O\n0.106768 0.150876 0.918374 O\n0.517433 0.726014 0.901394 O\n0.352157 0.887723 0.883165 O\n0.444564 0.820663 0.915870 O\n0.300134 0.997502 0.938201 O\n0.838937 0.384504 0.923251 O\n0.635584 0.669318 0.936237 O\n0.955885 0.326011 0.938936 O\n",
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"elements": [
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"density": 7.782487997469437,
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"volume": 875.3751655890871,
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"formula_full": "Ta16 Mn8 O48",
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"energy": -722.9375930900001,
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"spacegroup": 15
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{
"id": "mp-1094780",
"created_at": "2022-09-04T14:42:46.079379Z",
"structure_string": "Hf2 Mg2\n1.0\n3.160380 0.000000 0.000000\n0.000000 5.096788 0.000000\n0.000000 0.000000 5.372480\nHf Mg\n2 2\ndirect\n0.000000 0.750000 0.182806 Hf\n0.000000 0.250000 0.817194 Hf\n0.500000 0.250000 0.316787 Mg\n0.500000 0.750000 0.683213 Mg\n",
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"volume": 86.53876274660422,
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"formula_full": "Hf2 Mg2",
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"spacegroup": 51
},
{
"id": "mp-760053",
"created_at": "2022-09-04T14:44:50.009580Z",
"structure_string": "Ta16 Mn8 O48\n1.0\n5.835124 4.823180 0.000000\n-5.835124 4.823180 0.000000\n0.000000 0.271466 15.551384\nTa Mn O\n16 8 48\ndirect\n0.659036 0.838075 0.916920 Ta\n0.830761 0.664128 0.748367 Ta\n0.662303 0.835003 0.586967 Ta\n0.838075 0.659036 0.416920 Ta\n0.664128 0.830761 0.248367 Ta\n0.835003 0.662303 0.086967 Ta\n0.166205 0.833362 0.915908 Ta\n0.166638 0.833795 0.584092 Ta\n0.833362 0.166205 0.415908 Ta\n0.833795 0.166638 0.084092 Ta\n0.164997 0.337697 0.913033 Ta\n0.335872 0.169239 0.751633 Ta\n0.161925 0.340964 0.583080 Ta\n0.337697 0.164997 0.413033 Ta\n0.169239 0.335872 0.251633 Ta\n0.340964 0.161925 0.083080 Ta\n0.666515 0.343050 0.914975 Mn\n0.830601 0.169399 0.750000 Mn\n0.341717 0.658283 0.750000 Mn\n0.656950 0.333485 0.585025 Mn\n0.343050 0.666515 0.414975 Mn\n0.169399 0.830601 0.250000 Mn\n0.658283 0.341717 0.250000 Mn\n0.333485 0.656950 0.085025 Mn\n0.931984 0.808667 0.861316 O\n0.801553 0.913537 0.688395 O\n0.932625 0.804360 0.528564 O\n0.808667 0.931984 0.361316 O\n0.913537 0.801553 0.188395 O\n0.804360 0.932625 0.028564 O\n0.698542 0.602611 0.980953 O\n0.599308 0.701188 0.812275 O\n0.693267 0.591766 0.644943 O\n0.602611 0.698542 0.480953 O\n0.701188 0.599308 0.312275 O\n0.419233 0.810798 0.962256 O\n0.591766 0.693267 0.144943 O\n0.934925 0.296608 0.977004 O\n0.815937 0.440497 0.800210 O\n0.295769 0.928320 0.807943 O\n0.421835 0.814311 0.630626 O\n0.932160 0.307093 0.630290 O\n0.810798 0.419233 0.462256 O\n0.296608 0.934925 0.477004 O\n0.440497 0.815937 0.300210 O\n0.928320 0.295769 0.307943 O\n0.814311 0.421835 0.130626 O\n0.307093 0.932160 0.130290 O\n0.692907 0.067840 0.869710 O\n0.185689 0.578165 0.869374 O\n0.071680 0.704231 0.692057 O\n0.559503 0.184063 0.699790 O\n0.703392 0.065075 0.522996 O\n0.189202 0.580767 0.537744 O\n0.067840 0.692907 0.369710 O\n0.578165 0.185689 0.369374 O\n0.704231 0.071680 0.192057 O\n0.184063 0.559503 0.199790 O\n0.065075 0.703392 0.022996 O\n0.408234 0.306733 0.855057 O\n0.580767 0.189202 0.037744 O\n0.298812 0.400692 0.687725 O\n0.397389 0.301458 0.519047 O\n0.306733 0.408234 0.355057 O\n0.400692 0.298812 0.187725 O\n0.301458 0.397389 0.019047 O\n0.195640 0.067375 0.971436 O\n0.086463 0.198447 0.811605 O\n0.191333 0.068016 0.638684 O\n0.067375 0.195640 0.471436 O\n0.198447 0.086463 0.311605 O\n0.068016 0.191333 0.138684 O\n",
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"formula_full": "Ta16 Mn8 O48",
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"spacegroup": 15
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{
"id": "mp-1204608",
"created_at": "2022-09-04T14:40:16.135696Z",
"structure_string": "Tb22 In12 Si8\n1.0\n-5.781712 5.781712 8.136129\n5.781712 -5.781712 8.136129\n5.781712 5.781712 -8.136129\nTb In Si\n22 12 8\ndirect\n0.684621 0.934760 0.250138 Tb\n0.684621 0.434483 0.749862 Tb\n0.934760 0.684621 0.250138 Tb\n0.434483 0.684621 0.749862 Tb\n0.315379 0.065240 0.749862 Tb\n0.315379 0.565517 0.250138 Tb\n0.065240 0.315379 0.749862 Tb\n0.565517 0.315379 0.250138 Tb\n0.899234 0.246526 0.347292 Tb\n0.899234 0.551941 0.652708 Tb\n0.246526 0.899234 0.347292 Tb\n0.551941 0.899234 0.652708 Tb\n0.100766 0.753474 0.652708 Tb\n0.100766 0.448059 0.347292 Tb\n0.753474 0.100766 0.652708 Tb\n0.448059 0.100766 0.347292 Tb\n0.332743 0.332743 0.665485 Tb\n0.667257 0.667257 0.334515 Tb\n0.332743 0.667257 0.000000 Tb\n0.667257 0.332743 0.000000 Tb\n0.832008 0.832008 0.000000 Tb\n0.167992 0.167992 0.000000 Tb\n0.033773 0.033773 0.410593 In\n0.623180 0.623180 0.589407 In\n0.033773 0.623180 0.000000 In\n0.623180 0.033773 0.000000 In\n0.966227 0.966227 0.589407 In\n0.376820 0.376820 0.410593 In\n0.966227 0.376820 0.000000 In\n0.376820 0.966227 0.000000 In\n0.129290 0.129290 0.258580 In\n0.870710 0.870710 0.741420 In\n0.129290 0.870710 0.000000 In\n0.870710 0.129290 0.000000 In\n0.153610 0.500000 0.653610 Si\n0.846390 0.500000 0.346390 Si\n0.500000 0.846390 0.346390 Si\n0.500000 0.153610 0.653610 Si\n0.617054 0.617054 0.000000 Si\n0.382946 0.382946 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n",
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"volume": 1087.9043831242454,
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"formula_full": "Tb22 In12 Si8",
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{
"id": "mp-1202632",
"created_at": "2022-09-04T14:47:12.371407Z",
"structure_string": "Tm16 B4 Cl4 O28\n1.0\n7.957108 0.000000 0.000000\n0.000000 8.490831 0.000000\n0.000000 5.912320 10.535012\nTm B Cl O\n16 4 4 28\ndirect\n0.624696 0.795837 0.222400 Tm\n0.875304 0.795837 0.722400 Tm\n0.375304 0.204163 0.777600 Tm\n0.124696 0.204163 0.277600 Tm\n0.617389 0.426293 0.907799 Tm\n0.882611 0.426293 0.407799 Tm\n0.382611 0.573707 0.092201 Tm\n0.117389 0.573707 0.592201 Tm\n0.639303 0.567714 0.581799 Tm\n0.860697 0.567714 0.081799 Tm\n0.360697 0.432286 0.418201 Tm\n0.139303 0.432286 0.918201 Tm\n0.614739 0.182719 0.278293 Tm\n0.885261 0.182719 0.778293 Tm\n0.385261 0.817281 0.721707 Tm\n0.114739 0.817281 0.221707 Tm\n0.869367 0.869802 0.413890 B\n0.630633 0.869802 0.913890 B\n0.130633 0.130198 0.586110 B\n0.369367 0.130198 0.086110 B\n0.848414 0.119351 0.030650 Cl\n0.651586 0.119351 0.530650 Cl\n0.151586 0.880649 0.969350 Cl\n0.348414 0.880649 0.469350 Cl\n0.622430 0.540044 0.402835 O\n0.877570 0.540044 0.902835 O\n0.377570 0.459956 0.597165 O\n0.122430 0.459956 0.097165 O\n0.637273 0.310617 0.772946 O\n0.862727 0.310617 0.272946 O\n0.362727 0.689383 0.227054 O\n0.137273 0.689383 0.727054 O\n0.617125 0.679810 0.717563 O\n0.882875 0.679810 0.217563 O\n0.382875 0.320190 0.282437 O\n0.117125 0.320190 0.782437 O\n0.621139 0.425462 0.092652 O\n0.878861 0.425462 0.592652 O\n0.378861 0.574538 0.907348 O\n0.121139 0.574538 0.407348 O\n0.890802 0.771921 0.544179 O\n0.609198 0.771921 0.044179 O\n0.109198 0.228079 0.455821 O\n0.390802 0.228079 0.955821 O\n0.004425 0.939124 0.333311 O\n0.495575 0.939124 0.833311 O\n0.995575 0.060876 0.666689 O\n0.504425 0.060876 0.166689 O\n0.708984 0.886730 0.365940 O\n0.791016 0.886730 0.865940 O\n0.291016 0.113270 0.634060 O\n0.208984 0.113270 0.134060 O\n",
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{
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"structure_string": "Hg3 Se3\n1.0\n2.279383 -3.948007 0.000000\n2.279383 3.948007 0.000000\n0.000000 0.000000 9.941909\nHg Se\n3 3\ndirect\n0.726433 0.726433 0.000000 Hg\n0.273567 0.000000 0.666667 Hg\n0.000000 0.273567 0.333333 Hg\n0.485268 0.485268 0.500000 Se\n0.514732 0.000000 0.166667 Se\n0.000000 0.514732 0.833333 Se\n",
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{
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],
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{
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"created_at": "2022-09-04T14:43:17.791393Z",
"structure_string": "La10 Pb6 Se2\n1.0\n4.883547 -8.458552 0.000000\n4.883547 8.458552 0.000000\n0.000000 0.000000 7.205736\nLa Pb Se\n10 6 2\ndirect\n0.751226 0.751226 0.750000 La\n0.248774 0.000000 0.750000 La\n0.000000 0.248774 0.750000 La\n0.248774 0.248774 0.250000 La\n0.751226 0.000000 0.250000 La\n0.000000 0.751226 0.250000 La\n0.666667 0.333333 0.000000 La\n0.333333 0.666667 0.000000 La\n0.333333 0.666667 0.500000 La\n0.666667 0.333333 0.500000 La\n0.397071 0.397071 0.750000 Pb\n0.602929 0.000000 0.750000 Pb\n0.000000 0.602929 0.750000 Pb\n0.602929 0.602929 0.250000 Pb\n0.397071 0.000000 0.250000 Pb\n0.000000 0.397071 0.250000 Pb\n0.000000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n",
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"elements": [
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"density": 7.782887561169638,
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"formula_full": "La10 Pb6 Se2",
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"updated_at": "2021-11-28T01:36:10.212000Z",
"spacegroup": 193
},
{
"id": "mp-976437",
"created_at": "2022-09-04T14:39:38.283029Z",
"structure_string": "Gd6 Mn2 B14\n1.0\n1.724158 7.954508 0.000000\n-1.724158 7.954508 0.000000\n0.000000 0.000000 9.370762\nGd Mn B\n6 2 14\ndirect\n0.104225 0.104225 0.061405 Gd\n0.895774 0.895774 0.561405 Gd\n0.895774 0.895774 0.938595 Gd\n0.104225 0.104225 0.438594 Gd\n0.758529 0.758529 0.250000 Gd\n0.241471 0.241471 0.750001 Gd\n0.945898 0.945898 0.250000 Mn\n0.054102 0.054102 0.750001 Mn\n0.537758 0.537758 0.250000 B\n0.462242 0.462242 0.750001 B\n0.272915 0.272915 0.030984 B\n0.727084 0.727084 0.530983 B\n0.727084 0.727084 0.969017 B\n0.272915 0.272915 0.469018 B\n0.369979 0.369979 0.346860 B\n0.630021 0.630021 0.846861 B\n0.630021 0.630021 0.653140 B\n0.369979 0.369979 0.153139 B\n0.477234 0.477234 0.401272 B\n0.522766 0.522766 0.901272 B\n0.522766 0.522766 0.598729 B\n0.477234 0.477234 0.098729 B\n",
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"formula_full": "Gd6 Mn2 B14",
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},
{
"id": "mp-1068732",
"created_at": "2022-09-04T14:41:51.791599Z",
"structure_string": "Th1 Si3 Ru1\n1.0\n-2.121926 2.121926 4.944168\n2.121926 -2.121926 4.944168\n2.121926 2.121926 -4.944168\nTh Si Ru\n1 3 1\ndirect\n0.997272 0.997272 0.000000 Th\n0.416322 0.416322 0.000000 Si\n0.262826 0.762826 0.500000 Si\n0.762826 0.262826 0.500000 Si\n0.654753 0.654753 0.000000 Ru\n",
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]
}