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{
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{
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"structure_string": "Ba4 Er8 Cu4 O20\n1.0\n5.671933 0.000000 0.000000\n0.000000 7.183460 0.000000\n0.000000 0.000000 12.183422\nBa Er Cu O\n4 8 4 20\ndirect\n0.250000 0.933057 0.903537 Ba\n0.750000 0.066943 0.096463 Ba\n0.750000 0.433057 0.596463 Ba\n0.250000 0.566943 0.403537 Ba\n0.250000 0.111306 0.286745 Er\n0.750000 0.888694 0.713255 Er\n0.750000 0.611306 0.213255 Er\n0.250000 0.388694 0.786745 Er\n0.250000 0.395905 0.073698 Er\n0.750000 0.604095 0.926302 Er\n0.750000 0.895905 0.426302 Er\n0.250000 0.104095 0.573698 Er\n0.250000 0.719977 0.660900 Cu\n0.750000 0.280023 0.339100 Cu\n0.750000 0.219977 0.839100 Cu\n0.250000 0.780023 0.160900 Cu\n0.995893 0.158957 0.431463 O\n0.495893 0.841043 0.568537 O\n0.004107 0.658957 0.068537 O\n0.504107 0.341043 0.931463 O\n0.004107 0.841043 0.568537 O\n0.504107 0.158957 0.431463 O\n0.995893 0.341043 0.931463 O\n0.495893 0.658957 0.068537 O\n0.502887 0.354660 0.227753 O\n0.002887 0.645340 0.772247 O\n0.497113 0.854660 0.272247 O\n0.997113 0.145340 0.727753 O\n0.497113 0.645340 0.772247 O\n0.997113 0.354660 0.227753 O\n0.502887 0.145340 0.727753 O\n0.002887 0.854660 0.272247 O\n0.250000 0.084777 0.100227 O\n0.750000 0.915223 0.899773 O\n0.750000 0.584777 0.399773 O\n0.250000 0.415223 0.600227 O\n",
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{
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"structure_string": "Mn3 Te1\n1.0\n0.000000 2.987161 2.987161\n2.987161 0.000000 2.987161\n2.987161 2.987161 0.000000\nMn Te\n3 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Te\n",
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},
{
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"created_at": "2022-09-04T14:40:25.173370Z",
"structure_string": "Al8 O24\n1.0\n5.656224 0.000000 0.000000\n0.000000 8.576186 0.000000\n0.000000 7.421843 9.695697\nAl O\n8 24\ndirect\n0.037722 0.824022 0.674330 Al\n0.462278 0.824022 0.174330 Al\n0.962278 0.175978 0.325670 Al\n0.537722 0.175978 0.825670 Al\n0.446046 0.652512 0.847998 Al\n0.053954 0.652512 0.347998 Al\n0.553954 0.347488 0.152002 Al\n0.946046 0.347488 0.652002 Al\n0.291761 0.678938 0.706529 O\n0.208239 0.678938 0.206529 O\n0.708239 0.321062 0.293471 O\n0.791761 0.321062 0.793471 O\n0.805315 0.189551 0.193096 O\n0.694685 0.189551 0.693096 O\n0.194685 0.810449 0.806904 O\n0.305315 0.810449 0.306904 O\n0.411640 0.392731 0.998545 O\n0.088360 0.392731 0.498545 O\n0.588360 0.607269 0.001455 O\n0.911640 0.607269 0.501455 O\n0.937312 0.924705 0.494118 O\n0.562688 0.924705 0.994118 O\n0.062688 0.075295 0.505882 O\n0.437312 0.075295 0.005882 O\n0.774135 0.649116 0.774174 O\n0.725865 0.649116 0.274174 O\n0.225865 0.350884 0.225826 O\n0.274135 0.350884 0.725826 O\n0.293716 0.157364 0.278205 O\n0.206284 0.157364 0.778205 O\n0.706284 0.842636 0.721795 O\n0.793716 0.842636 0.221795 O\n",
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"formula_full": "Al8 O24",
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"spacegroup": 14
},
{
"id": "mp-1216046",
"created_at": "2022-09-04T14:40:28.785023Z",
"structure_string": "Y1 Co4 B1\n1.0\n-2.495806 -4.322863 0.000000\n-2.497278 4.323711 0.000000\n0.000000 0.000000 -3.504561\nY Co B\n1 4 1\ndirect\n0.000020 0.000041 0.000000 Y\n0.491077 0.982113 0.500000 Co\n0.491212 0.509031 0.500000 Co\n0.017797 0.509000 0.500000 Co\n0.666478 0.333033 0.000000 Co\n0.333317 0.666782 0.000000 B\n",
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"formula_full": "Y1 Co4 B1",
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"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:35:03.480000Z",
"spacegroup": 187
},
{
"id": "mp-19043",
"created_at": "2022-09-04T14:40:25.204313Z",
"structure_string": "Li2 V2 Si4 O12\n1.0\n4.421377 4.933371 0.000000\n-4.421377 4.933371 0.000000\n0.000000 1.935443 5.004883\nLi V Si O\n2 2 4 12\ndirect\n0.743628 0.256372 0.750000 Li\n0.256372 0.743628 0.250000 Li\n0.097859 0.902141 0.750000 V\n0.902141 0.097859 0.250000 V\n0.208405 0.387139 0.730819 Si\n0.791595 0.612861 0.269181 Si\n0.387139 0.208405 0.230819 Si\n0.612861 0.791595 0.769181 Si\n0.202693 0.032009 0.350887 O\n0.641155 0.649685 0.066067 O\n0.350315 0.358845 0.433933 O\n0.358845 0.350315 0.933933 O\n0.649685 0.641155 0.566067 O\n0.884862 0.374273 0.333130 O\n0.797307 0.967991 0.649113 O\n0.032009 0.202693 0.850887 O\n0.625727 0.115138 0.166870 O\n0.115138 0.625727 0.666870 O\n0.374273 0.884862 0.833130 O\n0.967991 0.797307 0.149113 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.195040171514293,
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"volume": 218.33594957280988,
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"formula_full": "Li2 V2 Si4 O12",
"formula_reduced": "LiV(SiO3)2",
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{
"id": "mp-1212917",
"created_at": "2022-09-04T14:40:29.979930Z",
"structure_string": "Fe8 H40 Cl24 O20\n1.0\n6.297858 0.000000 0.000000\n0.000000 13.293135 0.000000\n0.000000 0.000000 16.970271\nFe H Cl O\n8 40 24 20\ndirect\n0.551732 0.244555 0.752383 Fe\n0.448268 0.755445 0.252383 Fe\n0.448268 0.744555 0.752383 Fe\n0.551732 0.255445 0.252383 Fe\n0.036663 0.015714 0.501351 Fe\n0.963337 0.984286 0.001351 Fe\n0.963337 0.515714 0.501351 Fe\n0.036663 0.484286 0.001351 Fe\n0.004217 0.308363 0.782071 H\n0.995783 0.691637 0.282071 H\n0.995783 0.808363 0.782071 H\n0.004217 0.191637 0.282071 H\n0.084528 0.643974 0.718851 H\n0.915472 0.356026 0.218851 H\n0.915472 0.143974 0.718851 H\n0.084528 0.856026 0.218851 H\n0.556765 0.301690 0.594942 H\n0.443235 0.698310 0.094942 H\n0.443235 0.801690 0.594942 H\n0.556765 0.198310 0.094942 H\n0.256069 0.567623 0.687792 H\n0.743931 0.432377 0.187792 H\n0.743931 0.067623 0.687792 H\n0.256069 0.932377 0.187792 H\n0.276722 0.265799 0.506955 H\n0.723278 0.734201 0.006955 H\n0.723278 0.765799 0.506955 H\n0.276722 0.234201 0.006955 H\n0.458767 0.187978 0.504561 H\n0.541233 0.812022 0.004561 H\n0.541233 0.687978 0.504561 H\n0.458767 0.312022 0.004561 H\n0.172897 0.879435 0.817020 H\n0.827103 0.120565 0.317020 H\n0.827103 0.379435 0.817020 H\n0.172897 0.620565 0.317020 H\n0.511699 0.196335 0.911520 H\n0.488301 0.803665 0.411520 H\n0.488301 0.696335 0.911520 H\n0.511699 0.303665 0.411520 H\n0.760972 0.349576 0.639031 H\n0.239028 0.650424 0.139031 H\n0.239028 0.849576 0.639031 H\n0.760972 0.150424 0.139031 H\n0.689880 0.128898 0.868352 H\n0.310120 0.871102 0.368352 H\n0.310120 0.628898 0.868352 H\n0.689880 0.371102 0.368352 H\n0.087394 0.431394 0.606741 Cl\n0.912606 0.568606 0.106741 Cl\n0.912606 0.931394 0.606741 Cl\n0.087394 0.068606 0.106741 Cl\n0.059706 0.059338 0.889689 Cl\n0.940294 0.940662 0.389689 Cl\n0.940294 0.559338 0.889689 Cl\n0.059706 0.440662 0.389689 Cl\n0.388174 0.379662 0.807138 Cl\n0.611826 0.620338 0.307138 Cl\n0.611826 0.879662 0.807138 Cl\n0.388174 0.120338 0.307138 Cl\n0.259888 0.165598 0.700208 Cl\n0.740112 0.834402 0.200208 Cl\n0.740112 0.665598 0.700208 Cl\n0.259888 0.334402 0.200208 Cl\n0.387773 0.011981 0.510306 Cl\n0.612227 0.988019 0.010306 Cl\n0.612227 0.511981 0.510306 Cl\n0.387773 0.488019 0.010306 Cl\n0.073764 0.674547 0.500819 Cl\n0.926236 0.325453 0.000819 Cl\n0.926236 0.174547 0.500819 Cl\n0.073764 0.825453 0.000819 Cl\n0.236239 0.626327 0.722068 O\n0.763761 0.373673 0.222068 O\n0.763761 0.126327 0.722068 O\n0.236239 0.873673 0.222068 O\n0.432128 0.260920 0.503139 O\n0.567872 0.739080 0.003139 O\n0.567872 0.760920 0.503139 O\n0.432128 0.239080 0.003139 O\n0.564997 0.171011 0.859324 O\n0.435003 0.828989 0.359324 O\n0.435003 0.671011 0.859324 O\n0.564997 0.328989 0.359324 O\n0.149652 0.818554 0.785835 O\n0.850348 0.181446 0.285835 O\n0.850348 0.318554 0.785835 O\n0.149652 0.681446 0.285835 O\n0.625824 0.314204 0.646806 O\n0.374176 0.685796 0.146806 O\n0.374176 0.814204 0.646806 O\n0.625824 0.185796 0.146806 O\n",
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"formula_full": "Fe8 H40 Cl24 O20",
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{
"id": "mp-1379905",
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"structure_string": "Ba4 V4 Zn2 Cu2 F28\n1.0\n2.645633 7.121583 0.000000\n-2.645633 7.121583 0.000000\n0.000000 0.433294 14.811641\nBa V Zn Cu F\n4 4 2 2 28\ndirect\n0.101825 0.266706 0.876494 Ba\n0.266706 0.101825 0.376494 Ba\n0.898175 0.733294 0.123506 Ba\n0.733294 0.898175 0.623506 Ba\n0.100346 0.139380 0.626352 V\n0.899654 0.860620 0.373648 V\n0.139380 0.100346 0.126352 V\n0.860620 0.899654 0.873648 V\n0.440959 0.559041 0.750000 Zn\n0.559041 0.440959 0.250000 Zn\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.886456 0.106407 0.163658 F\n0.870819 0.413504 0.045346 F\n0.129181 0.586496 0.954654 F\n0.637516 0.867888 0.903698 F\n0.607242 0.488228 0.877482 F\n0.511772 0.392758 0.622518 F\n0.413504 0.870819 0.545346 F\n0.893593 0.113544 0.336342 F\n0.358981 0.981528 0.723951 F\n0.362484 0.132112 0.096302 F\n0.800314 0.421550 0.712575 F\n0.132112 0.362484 0.596302 F\n0.421550 0.800314 0.212575 F\n0.199686 0.578450 0.287425 F\n0.488228 0.607242 0.377482 F\n0.641019 0.018472 0.276049 F\n0.121325 0.723758 0.486492 F\n0.113544 0.893593 0.836342 F\n0.878675 0.276242 0.513508 F\n0.723758 0.121325 0.986492 F\n0.586496 0.129181 0.454654 F\n0.578450 0.199686 0.787425 F\n0.981528 0.358981 0.223951 F\n0.276242 0.878675 0.013508 F\n0.392758 0.511772 0.122518 F\n0.106407 0.886456 0.663658 F\n0.018472 0.641019 0.776049 F\n0.867888 0.637516 0.403698 F\n",
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{
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"structure_string": "Mg14 V1 Si1\n1.0\n6.256330 0.051953 0.000000\n-3.083173 5.340211 0.000000\n0.000000 0.000000 10.200541\nMg V Si\n14 1 1\ndirect\n0.167120 0.333559 0.625000 Mg\n0.166548 0.833274 0.625000 Mg\n0.668563 0.332647 0.125000 Mg\n0.665268 0.333213 0.625000 Mg\n0.668563 0.835915 0.125000 Mg\n0.665268 0.832053 0.625000 Mg\n0.329485 0.164870 0.366491 Mg\n0.329485 0.164870 0.883509 Mg\n0.329485 0.664615 0.366491 Mg\n0.329485 0.664615 0.883509 Mg\n0.838632 0.169316 0.373735 Mg\n0.838632 0.169316 0.876265 Mg\n0.837834 0.668917 0.371636 Mg\n0.837834 0.668917 0.878364 Mg\n0.163803 0.331901 0.125000 V\n0.163999 0.831999 0.125000 Si\n",
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{
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"structure_string": "Li32 Ti11 Cr5 O48\n1.0\n5.079794 0.000959 0.001491\n2.534434 4.402381 -0.001491\n-0.783307 1.354490 38.645285\nLi Ti Cr O\n32 11 5 48\ndirect\n0.091258 0.089199 0.249821 Li\n0.997156 0.499677 0.000043 Li\n0.061246 0.437887 0.187480 Li\n0.122413 0.373183 0.375134 Li\n0.185842 0.315878 0.562498 Li\n0.251777 0.250749 0.750131 Li\n0.312398 0.187564 0.937417 Li\n0.034591 0.787489 0.125028 Li\n0.370307 0.122892 0.125082 Li\n0.162489 0.659591 0.499972 Li\n0.287280 0.532158 0.874841 Li\n0.437512 0.062512 0.312500 Li\n0.497892 0.995307 0.499918 Li\n0.409942 0.412367 0.249842 Li\n0.531484 0.291108 0.624794 Li\n0.217899 0.960793 0.625074 Li\n0.335793 0.842899 0.999926 Li\n0.666108 0.156484 0.000206 Li\n0.787367 0.034942 0.375158 Li\n0.464199 0.716258 0.375179 Li\n0.591493 0.587440 0.750122 Li\n0.562564 0.937398 0.687583 Li\n0.720029 0.464731 0.125142 Li\n0.839731 0.345029 0.499858 Li\n0.625749 0.876777 0.874869 Li\n0.962440 0.216493 0.874878 Li\n0.690878 0.810842 0.062502 Li\n0.748183 0.747413 0.249866 Li\n0.812887 0.686246 0.437520 Li\n0.874677 0.622156 0.624957 Li\n0.936408 0.561408 0.812500 Li\n0.907158 0.912280 0.750159 Li\n0.104812 0.729812 0.312500 Ti\n0.229744 0.604936 0.687682 Ti\n0.350070 0.482508 0.062348 Ti\n0.480344 0.356727 0.437524 Ti\n0.271808 0.896808 0.812500 Ti\n0.731726 0.105344 0.187476 Ti\n0.644400 0.520071 0.937336 Ti\n0.769787 0.394787 0.312500 Ti\n0.895071 0.269400 0.687664 Ti\n0.857508 0.975070 0.562652 Ti\n0.979936 0.854744 0.937318 Ti\n0.022818 0.144155 0.062575 Cr\n0.144506 0.019976 0.437577 Cr\n0.605165 0.230165 0.812500 Cr\n0.394976 0.769506 0.187423 Cr\n0.519155 0.647818 0.562425 Cr\n0.091539 0.053235 0.340916 O\n0.054903 0.090061 0.159180 O\n0.072406 0.427627 0.283551 O\n0.197406 0.302246 0.658709 O\n0.054993 0.450487 0.091717 O\n0.177674 0.319236 0.466214 O\n0.304612 0.197831 0.841319 O\n0.314699 0.175410 0.033903 O\n0.442315 0.051386 0.409035 O\n0.077349 0.781907 0.215730 O\n0.426386 0.067315 0.215965 O\n0.191999 0.660311 0.591213 O\n0.321984 0.533236 0.965837 O\n0.035311 0.816999 0.033787 O\n0.156907 0.702349 0.409270 O\n0.289431 0.564057 0.784491 O\n0.216364 0.927727 0.716170 O\n0.189552 0.958746 0.534499 O\n0.302727 0.841364 0.908830 O\n0.446802 0.408411 0.341031 O\n0.571643 0.283197 0.716034 O\n0.407522 0.454923 0.159204 O\n0.534249 0.327810 0.534524 O\n0.658197 0.196643 0.908966 O\n0.333746 0.814552 0.090501 O\n0.465061 0.679903 0.465820 O\n0.589995 0.552040 0.840732 O\n0.428235 0.716539 0.284084 O\n0.553275 0.591782 0.659262 O\n0.702810 0.159249 0.090476 O\n0.829923 0.032522 0.465796 O\n0.783411 0.071802 0.283969 O\n0.714746 0.429052 0.215832 O\n0.835819 0.309079 0.590456 O\n0.966782 0.178275 0.965738 O\n0.684079 0.460819 0.034544 O\n0.804052 0.339746 0.409168 O\n0.572831 0.929612 0.783681 O\n0.927040 0.214995 0.784268 O\n0.550410 0.939699 0.591097 O\n0.677246 0.822406 0.966291 O\n0.694236 0.802674 0.158786 O\n0.825487 0.679993 0.533283 O\n0.947126 0.552823 0.908406 O\n0.802627 0.697406 0.341449 O\n0.927823 0.572126 0.716594 O\n0.939057 0.914431 0.840509 O\n0.908236 0.946984 0.659163 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.41385897309229,
"density_atomic": 0.11109074597764859,
"volume": 864.1583883081959,
"volume_molar": 5.420920263881973,
"formula_full": "Li32 Ti11 Cr5 O48",
"formula_reduced": "Li32Ti11Cr5O48",
"formula_anonymous": "A5B11C32D48",
"energy": -696.53959365,
"energy_per_atom": -7.255620767187501,
"energy_above_hull": null,
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"energy_uncorrected": -653.56859365,
"band_gap": 1.1754000000000002,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.531000Z",
"spacegroup": 5
},
{
"id": "mp-1281818",
"created_at": "2022-09-04T14:40:28.767802Z",
"structure_string": "Sr8 Mn4 Nb4 O24\n1.0\n-3.963533 -4.062205 0.020635\n-3.964014 4.103546 -8.143567\n7.942836 -4.057134 -4.055895\nSr Mn Nb O\n8 4 4 24\ndirect\n0.813488 0.936870 0.625781 Sr\n0.562475 0.188198 0.125800 Sr\n0.314634 0.436689 0.625531 Sr\n0.062665 0.688115 0.125673 Sr\n0.938110 0.311232 0.874213 Sr\n0.686892 0.562768 0.374298 Sr\n0.437394 0.811402 0.874360 Sr\n0.185863 0.062699 0.374431 Sr\n0.250584 0.749975 0.500172 Mn\n0.500093 0.499759 0.999895 Mn\n0.999804 0.999637 0.999924 Mn\n0.750123 0.249917 0.499967 Mn\n0.382388 0.117006 0.750123 Nb\n0.117513 0.382778 0.249873 Nb\n0.883431 0.616976 0.750018 Nb\n0.616994 0.882774 0.250047 Nb\n0.329823 0.921366 0.632265 O\n0.045925 0.209513 0.119686 O\n0.829558 0.421296 0.632142 O\n0.545916 0.709489 0.119877 O\n0.702700 0.045595 0.867568 O\n0.414509 0.332135 0.379234 O\n0.203691 0.545657 0.867355 O\n0.912059 0.831397 0.380555 O\n0.577762 0.176741 0.624249 O\n0.303255 0.451974 0.124147 O\n0.081732 0.675875 0.625161 O\n0.804841 0.951781 0.125176 O\n0.452974 0.290793 0.879912 O\n0.169868 0.579080 0.367189 O\n0.953622 0.790792 0.879766 O\n0.669370 0.079044 0.367309 O\n0.085290 0.168392 0.620965 O\n0.796277 0.454765 0.133241 O\n0.588256 0.669177 0.619991 O\n0.296924 0.954940 0.132660 O\n0.195336 0.047956 0.875202 O\n0.922487 0.323320 0.375959 O\n0.696383 0.548028 0.875278 O\n0.418993 0.824098 0.375008 O\n",
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"elements": [
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"Nb",
"O"
],
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"density": 5.30567182111566,
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"volume": 524.6461563686585,
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"formula_full": "Sr8 Mn4 Nb4 O24",
"formula_reduced": "Sr2MnNbO6",
"formula_anonymous": "ABC2D6",
"energy": -328.95275301000004,
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"updated_at": "2021-11-28T01:35:02.891000Z",
"spacegroup": 15
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{
"id": "mp-758372",
"created_at": "2022-09-04T14:40:30.780010Z",
"structure_string": "Li8 Co4 Si4 O16\n1.0\n7.359907 -0.000009 -0.000019\n-3.679966 -3.819675 6.304722\n0.000010 -7.639136 0.000139\nLi Co Si O\n8 4 4 16\ndirect\n0.568651 0.499990 0.750032 Li\n0.068686 0.499991 0.250004 Li\n0.681352 0.000017 0.999928 Li\n0.181349 0.000010 0.500056 Li\n0.875017 0.750028 0.937956 Li\n0.374978 0.749965 0.438049 Li\n0.624980 0.249955 0.562036 Li\n0.125024 0.250055 0.061944 Li\n0.624990 0.250004 0.196386 Co\n0.874989 0.750001 0.303623 Co\n0.125007 0.249981 0.696320 Co\n0.375006 0.750007 0.803747 Co\n0.324024 0.999926 0.999971 Si\n0.824093 0.000092 0.499999 Si\n0.925909 0.499972 0.750032 Si\n0.425946 0.500005 0.249969 Si\n0.304800 0.215896 0.893460 O\n0.804892 0.216075 0.393546 O\n0.588863 0.784146 0.606537 O\n0.088868 0.783937 0.106364 O\n0.161175 0.715898 0.640635 O\n0.661087 0.716008 0.140291 O\n0.945294 0.284079 0.859434 O\n0.445089 0.283982 0.359581 O\n0.463134 0.000986 0.170367 O\n0.963069 0.001027 0.670516 O\n0.962185 0.999076 0.329627 O\n0.462137 0.999012 0.829490 O\n0.786879 0.499081 0.921390 O\n0.286949 0.499034 0.421431 O\n0.787758 0.500861 0.578699 O\n0.287818 0.500905 0.078581 O\n",
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"elements": [
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"Co",
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"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.0899267628201845,
"density_atomic": 0.09027612522118464,
"volume": 354.46802708464855,
"volume_molar": 6.670801106322644,
"formula_full": "Li8 Co4 Si4 O16",
"formula_reduced": "Li2CoSiO4",
"formula_anonymous": "ABC2D4",
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},
{
"id": "mp-1186128",
"created_at": "2022-09-04T14:40:28.809716Z",
"structure_string": "Na6 Pu2\n1.0\n3.929235 -6.805634 0.000000\n3.929235 6.805634 0.000000\n0.000000 0.000000 5.564583\nNa Pu\n6 2\ndirect\n0.160611 0.321221 0.250000 Na\n0.678779 0.839389 0.250000 Na\n0.160611 0.839389 0.250000 Na\n0.839389 0.678779 0.750000 Na\n0.321221 0.160611 0.750000 Na\n0.839389 0.160611 0.750000 Na\n0.333333 0.666667 0.750000 Pu\n0.666667 0.333333 0.250000 Pu\n",
"nsites": 8,
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"elements": [
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"Pu"
],
"chemical_system": "Na-Pu",
"density": 3.4925419306098253,
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"volume": 297.60430806014017,
"volume_molar": 22.40268792400708,
"formula_full": "Na6 Pu2",
"formula_reduced": "Na3Pu",
"formula_anonymous": "AB3",
"energy": -32.59579709,
"energy_per_atom": -4.07447463625,
"energy_above_hull": null,
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"energy_uncorrected": -32.59579709,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:52.780000Z",
"spacegroup": 194
}
]
}