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{
"id": "mp-863684",
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{
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{
"id": "mp-1175243",
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"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.968660 0.000000 0.000000\n0.121008 5.084836 0.000000\n0.852794 0.509448 14.434635\nLi Mn Co O\n7 4 1 12\ndirect\n0.001287 0.338665 0.167461 Li\n0.500911 0.167726 0.333646 Li\n0.998264 0.995170 0.499672 Li\n0.502638 0.839145 0.671809 Li\n0.000050 0.666023 0.832951 Li\n0.496738 0.494287 0.994668 Li\n0.500552 0.167271 0.832450 Li\n0.995744 0.009671 0.993219 Mn\n0.003898 0.325861 0.671247 Mn\n0.491811 0.830132 0.165202 Mn\n0.000901 0.664927 0.335939 Mn\n0.512129 0.501745 0.502673 Co\n0.475939 0.138680 0.075974 O\n0.029946 0.982180 0.251468 O\n0.531766 0.815536 0.420098 O\n0.038431 0.640982 0.581010 O\n0.482394 0.479411 0.738587 O\n0.007244 0.314236 0.923581 O\n0.464509 0.511604 0.249612 O\n0.971258 0.351597 0.419392 O\n0.523580 0.200228 0.589159 O\n0.992514 0.019628 0.740592 O\n0.517575 0.855844 0.926400 O\n0.959918 0.689451 0.083192 O\n",
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"formula_full": "Li7 Mn4 Co1 O12",
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},
{
"id": "mp-1104168",
"created_at": "2022-09-04T14:42:00.547434Z",
"structure_string": "Na2 Eu2 As2 S8\n1.0\n3.422874 -5.014780 0.000000\n3.422874 5.014780 0.000000\n0.000000 0.000000 10.014813\nNa Eu As S\n2 2 2 8\ndirect\n0.407062 0.777813 0.750000 Na\n0.777813 0.407062 0.250000 Na\n0.038228 0.038228 0.000000 Eu\n0.038228 0.038228 0.500000 Eu\n0.349909 0.779947 0.250000 As\n0.779947 0.349909 0.750000 As\n0.168189 0.598497 0.067748 S\n0.598497 0.168189 0.932252 S\n0.168189 0.598497 0.432252 S\n0.598497 0.168189 0.567748 S\n0.740948 0.867641 0.250000 S\n0.867641 0.740948 0.750000 S\n0.127530 0.305081 0.750000 S\n0.305081 0.127530 0.250000 S\n",
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"elements": [
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"formula_full": "Na2 Eu2 As2 S8",
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"updated_at": "2021-11-28T01:35:35.075000Z",
"spacegroup": 40
},
{
"id": "mp-753343",
"created_at": "2022-09-04T14:42:01.682526Z",
"structure_string": "Li4 V4 Si4 O16\n1.0\n0.000437 4.855271 0.000193\n2.428079 2.428009 3.861672\n14.565027 0.000994 -7.721811\nLi V Si O\n4 4 4 16\ndirect\n0.874986 0.249995 0.624957 Li\n0.625023 0.749973 0.874996 Li\n0.375090 0.249944 0.125096 Li\n0.125069 0.749978 0.375002 Li\n0.250022 0.500061 0.750010 V\n0.000117 0.999909 0.999966 V\n0.749992 0.499999 0.249941 V\n0.499957 0.999985 0.500067 V\n0.562437 0.874994 0.687481 Si\n0.312465 0.375043 0.937491 Si\n0.062474 0.875052 0.187626 Si\n0.812575 0.374931 0.437391 Si\n0.651388 0.282172 0.514118 O\n0.401517 0.782103 0.764249 O\n0.151472 0.282238 0.014257 O\n0.901245 0.782418 0.264359 O\n0.338019 0.955940 0.604852 O\n0.088064 0.456095 0.854845 O\n0.838328 0.956323 0.104926 O\n0.588167 0.455954 0.354775 O\n0.908249 0.598523 0.672218 O\n0.658198 0.098299 0.922328 O\n0.408093 0.598176 0.172454 O\n0.158456 0.098359 0.422301 O\n0.601898 0.163524 0.708513 O\n0.352101 0.663479 0.958522 O\n0.102515 0.163127 0.208816 O\n0.852082 0.663406 0.458440 O\n",
"nsites": 28,
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"elements": [
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],
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"density_atomic": 0.07690116467787922,
"volume": 364.10371828938315,
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"formula_full": "Li4 V4 Si4 O16",
"formula_reduced": "LiVSiO4",
"formula_anonymous": "ABCD4",
"energy": -221.99015892,
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"spacegroup": 82
},
{
"id": "mp-731539",
"created_at": "2022-09-04T14:42:02.418807Z",
"structure_string": "Na2 Mg1 H4 S2 O8\n1.0\n7.588427 0.000000 0.000000\n-1.061816 5.889531 0.000000\n-1.739939 -1.861268 4.582309\nNa Mg H S O\n2 1 4 2 8\ndirect\n0.339485 0.332261 0.999094 Na\n0.660515 0.667739 0.000906 Na\n0.000000 0.000000 0.500000 Mg\n0.833130 0.134662 0.757823 H\n0.166870 0.865338 0.242177 H\n0.052932 0.841729 0.946878 H\n0.947068 0.158271 0.053122 H\n0.332515 0.347012 0.390478 S\n0.667485 0.652988 0.609522 S\n0.094635 0.339744 0.297086 O\n0.905365 0.660256 0.702914 O\n0.272982 0.644844 0.210998 O\n0.727018 0.355156 0.789002 O\n0.591078 0.252770 0.310947 O\n0.408922 0.747230 0.689053 O\n0.905369 0.969255 0.796017 O\n0.094631 0.030745 0.203983 O\n",
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],
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"volume_molar": 7.254689433240407,
"formula_full": "Na2 Mg1 H4 S2 O8",
"formula_reduced": "Na2MgH4(SO4)2",
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"energy": -62.35533087,
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{
"id": "mp-1239273",
"created_at": "2022-09-04T14:42:00.594513Z",
"structure_string": "Nb2 Cr6 Cu4 S16\n1.0\n6.025638 0.000000 0.000000\n0.032133 6.946649 0.000000\n2.370799 0.235120 12.434396\nNb Cr Cu S\n2 6 4 16\ndirect\n0.279549 0.017684 0.753321 Nb\n0.193700 0.223732 0.247020 Nb\n0.744138 0.997198 0.253145 Cr\n0.249700 0.495984 0.743380 Cr\n0.751112 0.491544 0.249322 Cr\n0.744636 0.250850 0.748517 Cr\n0.241785 0.748380 0.251889 Cr\n0.745209 0.752334 0.750072 Cr\n0.597164 0.000162 0.035446 Cu\n0.051667 0.577150 0.472299 Cu\n0.324259 0.992307 0.538132 Cu\n0.160487 0.501115 0.959780 Cu\n0.471928 0.258310 0.628168 S\n0.867573 0.735412 0.356499 S\n0.039811 0.742180 0.855476 S\n0.610232 0.246758 0.146223 S\n0.029444 0.250869 0.862781 S\n0.617267 0.750058 0.149358 S\n0.463750 0.746972 0.637674 S\n0.847373 0.240083 0.369890 S\n0.555084 0.999406 0.868149 S\n0.111761 0.987001 0.129827 S\n0.951641 0.506312 0.644908 S\n0.365324 0.489660 0.352062 S\n0.959082 0.005322 0.645254 S\n0.372158 0.990033 0.360570 S\n0.534051 0.496244 0.852828 S\n0.120117 0.506939 0.138011 S\n",
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"spacegroup": 1
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{
"id": "mp-1247813",
"created_at": "2022-09-04T14:42:00.611467Z",
"structure_string": "Al1 Ag7 Se5\n1.0\n25.227086 0.255571 15.109131\n8.443308 24.068319 15.442602\n-0.785383 -0.126280 31.554843\nAl Ag Se\n1 7 5\ndirect\n0.499989 0.499909 0.500073 Al\n0.103937 0.276055 0.809935 Ag\n0.430122 0.518457 0.025734 Ag\n0.522239 0.025724 0.426349 Ag\n0.518512 0.430171 0.025687 Ag\n0.342068 0.946990 0.947052 Ag\n0.810012 0.809944 0.276003 Ag\n0.947125 0.947048 0.763749 Ag\n0.133402 0.622143 0.622235 Se\n0.622178 0.133496 0.622150 Se\n0.622263 0.622181 0.133301 Se\n0.622209 0.622226 0.622188 Se\n0.982345 0.982257 0.982345 Se\n",
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],
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"volume": 19406.766487350193,
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"formula_full": "Al1 Ag7 Se5",
"formula_reduced": "AlAg7Se5",
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"updated_at": "2021-11-28T01:35:35.526000Z",
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{
"id": "mp-782662",
"created_at": "2022-09-04T14:41:56.774312Z",
"structure_string": "Li4 V10 Cr4 O24\n1.0\n9.096374 0.000000 0.000000\n0.000000 5.095150 0.000000\n0.000000 2.159319 9.628640\nLi V Cr O\n4 10 4 24\ndirect\n0.920655 0.496215 0.258357 Li\n0.580537 0.743996 0.493613 Li\n0.420655 0.503785 0.741643 Li\n0.080537 0.256004 0.506387 Li\n0.917360 0.246726 0.998448 V\n0.933739 0.754210 0.504635 V\n0.738112 0.987235 0.259611 V\n0.745875 0.514235 0.740175 V\n0.572490 0.250370 0.007465 V\n0.433739 0.245790 0.495365 V\n0.238112 0.012765 0.740389 V\n0.417360 0.753274 0.001552 V\n0.245875 0.485765 0.259825 V\n0.072490 0.749630 0.992535 V\n0.752329 0.246385 0.504856 Cr\n0.742691 0.754046 0.995664 Cr\n0.242691 0.245954 0.004336 Cr\n0.252329 0.753615 0.495144 Cr\n0.895991 0.106800 0.380920 O\n0.897460 0.869135 0.111150 O\n0.771924 0.860195 0.615716 O\n0.905820 0.406169 0.610753 O\n0.738821 0.149751 0.890547 O\n0.900446 0.620794 0.886327 O\n0.773035 0.633554 0.381211 O\n0.595732 0.124931 0.395943 O\n0.589062 0.874641 0.114727 O\n0.754271 0.357573 0.116153 O\n0.596418 0.380033 0.616439 O\n0.586496 0.616666 0.884246 O\n0.395991 0.893200 0.619080 O\n0.397460 0.130865 0.888850 O\n0.271924 0.139805 0.384284 O\n0.405820 0.593831 0.389247 O\n0.238821 0.850249 0.109453 O\n0.400446 0.379206 0.113673 O\n0.273035 0.366446 0.618789 O\n0.095732 0.875069 0.604057 O\n0.089062 0.125359 0.885273 O\n0.254271 0.642427 0.883847 O\n0.096418 0.619967 0.383561 O\n0.086496 0.383334 0.115754 O\n",
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],
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"formula_full": "Li4 V10 Cr4 O24",
"formula_reduced": "Li2V5Cr2O12",
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"energy": -356.30493450999995,
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{
"id": "mp-1286093",
"created_at": "2022-09-04T14:42:04.907185Z",
"structure_string": "Ti8 Mn4 O16\n1.0\n5.291609 -0.000587 3.058979\n1.764730 4.991627 3.056529\n-1.778669 -5.007442 9.203462\nTi Mn O\n8 4 16\ndirect\n0.500164 0.499922 0.999717 Ti\n0.499662 0.000167 0.500565 Ti\n0.502294 0.244633 0.251014 Ti\n0.497813 0.755202 0.748956 Ti\n0.502304 0.753060 0.251014 Ti\n0.497800 0.246993 0.748954 Ti\n0.993438 0.753270 0.250974 Ti\n0.006396 0.246813 0.749026 Ti\n0.128072 0.685943 0.558368 Mn\n0.872003 0.314019 0.441492 Mn\n0.123267 0.188337 0.066115 Mn\n0.876737 0.811670 0.933854 Mn\n0.740924 0.879534 0.138147 O\n0.736304 0.381848 0.645205 O\n0.263057 0.394232 0.131171 O\n0.259603 0.890436 0.630633 O\n0.263793 0.618101 0.354714 O\n0.259166 0.120419 0.861706 O\n0.280951 0.109520 0.369428 O\n0.287460 0.606275 0.868975 O\n0.740057 0.650520 0.369466 O\n0.737072 0.157128 0.868788 O\n0.263060 0.842676 0.131182 O\n0.259611 0.349949 0.630633 O\n0.740065 0.109424 0.369466 O\n0.737084 0.605838 0.868803 O\n0.712375 0.393803 0.130992 O\n0.719468 0.890269 0.630639 O\n",
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"elements": [
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],
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"density": 4.397734173084704,
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"volume": 324.22817560672735,
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"formula_full": "Ti8 Mn4 O16",
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}