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{
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"results": [
{
"id": "mp-866640",
"created_at": "2022-09-04T14:40:26.344369Z",
"structure_string": "Li4 Mg4 H24 Ir4\n1.0\n6.663443 0.000000 0.000000\n0.000000 6.663443 0.000000\n0.000000 0.000000 6.663443\nLi Mg H Ir\n4 4 24 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.752409 0.752409 0.507189 H\n0.247591 0.247591 0.507189 H\n0.006527 0.750384 0.750384 H\n0.249616 0.993473 0.750384 H\n0.750384 0.006527 0.750384 H\n0.993473 0.249616 0.750384 H\n0.752409 0.507189 0.752409 H\n0.507189 0.752409 0.752409 H\n0.492811 0.247591 0.752409 H\n0.247591 0.492811 0.752409 H\n0.249616 0.750384 0.993473 H\n0.750384 0.249616 0.993473 H\n0.750384 0.750384 0.006527 H\n0.249616 0.249616 0.006527 H\n0.247591 0.507189 0.247591 H\n0.492811 0.752409 0.247591 H\n0.507189 0.247591 0.247591 H\n0.752409 0.492811 0.247591 H\n0.993473 0.750384 0.249616 H\n0.750384 0.993473 0.249616 H\n0.249616 0.006527 0.249616 H\n0.006527 0.249616 0.249616 H\n0.247591 0.752409 0.492811 H\n0.752409 0.247591 0.492811 H\n0.256791 0.743209 0.743209 Ir\n0.743209 0.256791 0.743209 Ir\n0.743209 0.743209 0.256791 Ir\n0.256791 0.256791 0.256791 Ir\n",
"nsites": 36,
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"elements": [
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"density": 5.152474506386144,
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"volume": 295.86668188110923,
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"updated_at": "2021-11-28T01:35:05.437000Z",
"spacegroup": 215
},
{
"id": "mp-1028053",
"created_at": "2022-09-04T14:40:26.343581Z",
"structure_string": "Sr1 Mg14 Mn1\n1.0\n6.524035 0.000000 0.000000\n-3.262017 5.649979 -0.000000\n-0.000000 0.000000 10.450006\nSr Mg Mn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Sr\n0.164460 0.832229 0.125000 Mg\n0.178730 0.839365 0.625000 Mg\n0.667771 0.335540 0.125000 Mg\n0.660635 0.321270 0.625000 Mg\n0.667771 0.832229 0.125000 Mg\n0.660635 0.839365 0.625000 Mg\n0.334446 0.165554 0.357541 Mg\n0.334446 0.165554 0.892459 Mg\n0.334446 0.668893 0.357541 Mg\n0.334446 0.668893 0.892459 Mg\n0.831107 0.165554 0.357541 Mg\n0.831107 0.165554 0.892459 Mg\n0.833333 0.666667 0.381434 Mg\n0.833333 0.666667 0.868566 Mg\n0.166667 0.333333 0.125000 Mn\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Mn-Sr",
"density": 2.0814305752745184,
"density_atomic": 0.04153749738643334,
"volume": 385.1941259519837,
"volume_molar": 14.498082790050091,
"formula_full": "Sr1 Mg14 Mn1",
"formula_reduced": "SrMg14Mn",
"formula_anonymous": "ABC14",
"energy": -31.61223493,
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"updated_at": "2021-11-28T01:35:07.030000Z",
"spacegroup": 187
},
{
"id": "mp-9755",
"created_at": "2022-09-04T14:40:26.339562Z",
"structure_string": "Hf2 Ge2 O8\n1.0\n-2.444267 2.444267 5.298189\n2.444267 -2.444267 5.298189\n2.444267 2.444267 -5.298189\nHf Ge O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Hf\n0.750000 0.250000 0.500000 Hf\n0.500000 0.500000 0.000000 Ge\n0.250000 0.750000 0.500000 Ge\n0.342707 0.937491 0.944086 O\n0.687491 0.243405 0.094784 O\n0.148621 0.592707 0.905216 O\n0.993405 0.398621 0.055914 O\n0.756595 0.851379 0.444086 O\n0.601379 0.657293 0.594784 O\n0.062509 0.006595 0.405216 O\n0.407293 0.312509 0.555914 O\n",
"nsites": 12,
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"elements": [
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"O"
],
"chemical_system": "Ge-Hf-O",
"density": 8.265722259440754,
"density_atomic": 0.0947755949271713,
"volume": 126.61487389471094,
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"formula_full": "Hf2 Ge2 O8",
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"formula_anonymous": "ABC4",
"energy": -105.43872223,
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"spacegroup": 88
},
{
"id": "mp-1046940",
"created_at": "2022-09-04T14:40:26.334981Z",
"structure_string": "Zn4 Sn4 O8\n1.0\n3.337344 0.000000 0.000000\n1.279334 8.336890 0.000000\n0.350113 1.637575 9.784594\nZn Sn O\n4 4 8\ndirect\n0.219245 0.199740 0.922607 Zn\n0.796793 0.896238 0.055241 Zn\n0.744312 0.135364 0.237474 Zn\n0.237606 0.890639 0.767399 Zn\n0.774622 0.567387 0.860534 Sn\n0.557652 0.278083 0.619810 Sn\n0.404846 0.773086 0.397467 Sn\n0.130386 0.473545 0.199787 Sn\n0.576744 0.557297 0.312764 O\n0.786381 0.782156 0.718733 O\n0.201576 0.227498 0.296209 O\n0.352313 0.422892 0.775989 O\n0.324190 0.846378 0.973384 O\n0.122726 0.135924 0.731146 O\n0.724910 0.154143 0.026111 O\n0.853309 0.885247 0.266010 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "O-Sn-Zn",
"density": 5.2729271509407605,
"density_atomic": 0.05877222427984116,
"volume": 272.2374420239186,
"volume_molar": 10.246576225064858,
"formula_full": "Zn4 Sn4 O8",
"formula_reduced": "ZnSnO2",
"formula_anonymous": "ABC2",
"energy": -85.62847558,
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"updated_at": "2021-11-28T01:35:07.716000Z",
"spacegroup": 1
},
{
"id": "mp-743640",
"created_at": "2022-09-04T14:40:26.333071Z",
"structure_string": "Li3 La8 Ti9 Cr3 O36\n1.0\n5.514680 0.000000 0.000000\n-0.000671 5.517309 0.000000\n-0.005206 -0.017603 23.286302\nLi La Ti Cr O\n3 8 9 3 36\ndirect\n0.995440 0.019899 0.747550 Li\n0.505124 0.512061 0.912326 Li\n0.504084 0.519604 0.583250 Li\n0.000002 0.004609 0.084030 La\n0.499873 0.501608 0.249013 La\n0.497585 0.496127 0.423151 La\n0.500273 0.491461 0.080110 La\n0.499522 0.493253 0.749450 La\n0.000809 0.993590 0.914355 La\n0.001250 0.989528 0.582293 La\n0.999928 0.992523 0.251937 La\n0.500162 0.009265 0.834172 Ti\n0.500127 0.009683 0.502976 Ti\n0.500722 0.002741 0.667933 Ti\n0.499577 0.999306 0.338945 Ti\n0.000258 0.503497 0.995167 Ti\n0.000374 0.503553 0.666276 Ti\n0.999996 0.508636 0.830591 Ti\n0.999317 0.496999 0.339749 Ti\n0.999445 0.500044 0.501861 Ti\n0.499972 0.999580 0.166537 Cr\n0.500294 0.002163 0.997113 Cr\n0.999975 0.499952 0.166738 Cr\n0.999942 0.595697 0.749892 O\n0.002403 0.566116 0.417594 O\n0.001192 0.570200 0.081985 O\n0.252226 0.741270 0.651442 O\n0.244916 0.749030 0.986602 O\n0.253265 0.739827 0.848387 O\n0.254639 0.740995 0.515397 O\n0.246326 0.753663 0.181349 O\n0.254187 0.748343 0.318999 O\n0.245951 0.242318 0.817469 O\n0.253120 0.249639 0.489322 O\n0.246271 0.242564 0.682366 O\n0.253359 0.253275 0.151993 O\n0.260039 0.263484 0.342745 O\n0.242654 0.245996 0.014028 O\n0.499522 0.093339 0.913769 O\n0.499312 0.088319 0.584344 O\n0.499203 0.068605 0.250905 O\n0.500798 0.918705 0.749285 O\n0.499761 0.928535 0.416994 O\n0.501643 0.920266 0.082065 O\n0.745508 0.739854 0.651237 O\n0.755025 0.748622 0.986586 O\n0.745086 0.738602 0.848547 O\n0.745794 0.748903 0.319086 O\n0.744801 0.741019 0.515371 O\n0.751885 0.752050 0.181344 O\n0.754711 0.240835 0.682559 O\n0.755270 0.240657 0.817206 O\n0.738944 0.264032 0.343014 O\n0.757875 0.246060 0.014175 O\n0.745831 0.250137 0.489009 O\n0.748421 0.251558 0.152004 O\n0.998383 0.419373 0.584187 O\n0.997982 0.422078 0.915582 O\n0.998746 0.426253 0.250971 O\n",
"nsites": 59,
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"elements": [
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"La",
"Ti",
"Cr",
"O"
],
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"density": 5.37839493098156,
"density_atomic": 0.08327293307679268,
"volume": 708.5135327897164,
"volume_molar": 7.2318105505500805,
"formula_full": "Li3 La8 Ti9 Cr3 O36",
"formula_reduced": "Li3La8Ti9Cr3O36",
"formula_anonymous": "A3B3C8D9E36",
"energy": -525.4073147400001,
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"spacegroup": 1
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{
"id": "mp-1232152",
"created_at": "2022-09-04T14:40:26.326157Z",
"structure_string": "Pm4 Mg4 Se12\n1.0\n7.500065 0.000000 -4.110954\n0.000000 12.059555 0.000000\n-2.658344 0.000000 7.586651\nPm Mg Se\n4 4 12\ndirect\n0.928661 0.000000 0.155940 Pm\n0.071339 0.000000 0.844060 Pm\n0.428661 0.500000 0.155940 Pm\n0.571339 0.500000 0.844060 Pm\n0.000000 0.326487 0.000000 Mg\n0.000000 0.673513 0.000000 Mg\n0.500000 0.826487 0.000000 Mg\n0.500000 0.173513 0.000000 Mg\n0.263103 0.156217 0.251811 Se\n0.736897 0.843783 0.748189 Se\n0.736897 0.156217 0.748189 Se\n0.263103 0.843783 0.251811 Se\n0.763103 0.656217 0.251811 Se\n0.236897 0.343783 0.748189 Se\n0.236897 0.656217 0.748189 Se\n0.763103 0.343783 0.251811 Se\n0.314308 0.000000 0.696145 Se\n0.685692 0.000000 0.303855 Se\n0.814308 0.500000 0.696145 Se\n0.185692 0.500000 0.303855 Se\n",
"nsites": 20,
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"formula_full": "Pm4 Mg4 Se12",
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{
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"structure_string": "Eu1 Zn1\n1.0\n3.766259 0.000000 0.000000\n0.000000 3.766259 0.000000\n0.000000 0.000000 3.766259\nEu Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Zn\n",
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{
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"structure_string": "Ti4 B2\n1.0\n-3.126703 3.126703 1.976476\n3.126703 -3.126703 1.976476\n3.126703 3.126703 -1.976476\nTi B\n4 2\ndirect\n0.158004 0.658004 0.816007 Ti\n0.841996 0.341996 0.183993 Ti\n0.341996 0.158004 0.500000 Ti\n0.658004 0.841996 0.500000 Ti\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.000000 B\n",
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{
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"created_at": "2022-09-04T14:40:26.318357Z",
"structure_string": "Mg2 V2 Ga2 S8\n1.0\n6.321263 -0.000661 3.648982\n2.040272 5.958847 3.763592\n-0.022401 0.124331 7.336730\nMg V Ga S\n2 2 2 8\ndirect\n0.874479 0.875781 0.875270 Mg\n0.125514 0.124229 0.124739 Mg\n0.499999 0.500014 0.999985 V\n0.499998 0.999986 0.500020 V\n0.500005 0.500005 0.499984 Ga\n0.000004 0.499991 0.500004 Ga\n0.740083 0.738453 0.738753 S\n0.267585 0.250872 0.713971 S\n0.267632 0.714055 0.250679 S\n0.717253 0.261555 0.261260 S\n0.732364 0.285948 0.749310 S\n0.282737 0.738440 0.738732 S\n0.259927 0.261537 0.261258 S\n0.732422 0.749128 0.286035 S\n",
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{
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"structure_string": "K1 Ba2 Re1\n1.0\n0.000000 4.208117 4.208117\n4.208117 0.000000 4.208117\n4.208117 4.208117 0.000000\nK Ba Re\n1 2 1\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Re\n",
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{
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"structure_string": "Li7 V1 O5 F1\n1.0\n5.377886 0.000000 0.000000\n-2.640939 4.713485 0.000000\n-0.036844 -3.107064 5.030921\nLi V O F\n7 1 5 1\ndirect\n0.233851 0.461528 0.631553 Li\n0.472778 0.899435 0.331811 Li\n0.289509 0.623034 0.027513 Li\n0.744817 0.346774 0.014212 Li\n0.485052 0.112583 0.643080 Li\n0.912555 0.806402 0.613660 Li\n0.782876 0.514422 0.373544 Li\n0.958233 0.976315 0.982924 V\n0.074836 0.617242 0.232562 O\n0.235705 0.066068 0.818449 O\n0.613209 0.778817 0.740873 O\n0.771853 0.913613 0.219870 O\n0.911779 0.384776 0.759807 O\n0.408547 0.248490 0.257643 F\n",
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"elements": [
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"O",
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],
"chemical_system": "F-Li-O-V",
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"formula_full": "Li7 V1 O5 F1",
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"updated_at": "2021-11-28T01:34:53.579000Z",
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},
{
"id": "mp-767002",
"created_at": "2022-09-04T14:40:26.307460Z",
"structure_string": "Ti20 P4 O44\n1.0\n13.983678 0.000000 0.000000\n0.000000 7.615511 0.000000\n0.000000 6.337290 7.637915\nTi P O\n20 4 44\ndirect\n0.826315 0.741183 0.546985 Ti\n0.331321 0.475712 0.583121 Ti\n0.173035 0.745228 0.689396 Ti\n0.504362 0.556956 0.709048 Ti\n0.655642 0.978888 0.659926 Ti\n0.004362 0.443044 0.790952 Ti\n0.673035 0.254772 0.810604 Ti\n0.155642 0.021112 0.840074 Ti\n0.831321 0.524288 0.916879 Ti\n0.326315 0.258817 0.953015 Ti\n0.673685 0.741183 0.046985 Ti\n0.168679 0.475712 0.083121 Ti\n0.844358 0.978888 0.159926 Ti\n0.326965 0.745228 0.189396 Ti\n0.995638 0.556956 0.209048 Ti\n0.344358 0.021112 0.340074 Ti\n0.495638 0.443044 0.290952 Ti\n0.826965 0.254772 0.310604 Ti\n0.668679 0.524288 0.416879 Ti\n0.173685 0.258817 0.453015 Ti\n0.380139 0.759989 0.864284 P\n0.880139 0.240011 0.635716 P\n0.119861 0.759989 0.364284 P\n0.619861 0.240011 0.135716 P\n0.756013 0.992590 0.513138 O\n0.409282 0.739720 0.529348 O\n0.093503 0.692510 0.556147 O\n0.594260 0.499452 0.596315 O\n0.910524 0.469928 0.603992 O\n0.572582 0.788325 0.681814 O\n0.240858 0.257891 0.625748 O\n0.758476 0.263512 0.621539 O\n0.916672 0.698362 0.717444 O\n0.256582 0.501904 0.746617 O\n0.109725 0.992005 0.667686 O\n0.756582 0.498096 0.753383 O\n0.416672 0.301638 0.782556 O\n0.072582 0.211675 0.818186 O\n0.410524 0.530072 0.896008 O\n0.094260 0.500548 0.903685 O\n0.609725 0.007995 0.832314 O\n0.593503 0.307490 0.943853 O\n0.258476 0.736488 0.878461 O\n0.740858 0.742109 0.874252 O\n0.909282 0.260280 0.970652 O\n0.256013 0.007410 0.986862 O\n0.743987 0.992590 0.013138 O\n0.090718 0.739720 0.029348 O\n0.259142 0.257891 0.125748 O\n0.741524 0.263512 0.121539 O\n0.406497 0.692510 0.056147 O\n0.390275 0.992005 0.167686 O\n0.905740 0.499452 0.096315 O\n0.589476 0.469928 0.103992 O\n0.927418 0.788325 0.181814 O\n0.583328 0.698362 0.217444 O\n0.243418 0.501904 0.246617 O\n0.890275 0.007995 0.332314 O\n0.743418 0.498096 0.253383 O\n0.083328 0.301638 0.282556 O\n0.241524 0.736488 0.378461 O\n0.759142 0.742109 0.374252 O\n0.427418 0.211675 0.318186 O\n0.089476 0.530072 0.396008 O\n0.405740 0.500548 0.403685 O\n0.906497 0.307490 0.443853 O\n0.590718 0.260280 0.470652 O\n0.243987 0.007410 0.486862 O\n",
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"formula_full": "Ti20 P4 O44",
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"updated_at": "2021-11-28T01:35:04.746000Z",
"spacegroup": 14
}
]
}