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{
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"results": [
{
"id": "mp-568753",
"created_at": "2022-09-04T14:42:19.145099Z",
"structure_string": "Tc4 Br12\n1.0\n6.056741 0.000000 0.000000\n0.000000 7.112984 0.000000\n0.000000 0.000000 12.305900\nTc Br\n4 12\ndirect\n0.777264 0.754068 0.000000 Tc\n0.222736 0.754068 0.000000 Tc\n0.277264 0.245932 0.500000 Tc\n0.722736 0.245932 0.500000 Tc\n0.500000 0.944483 0.500000 Br\n0.500000 0.889835 0.863627 Br\n0.500000 0.889835 0.136373 Br\n0.000000 0.604871 0.848203 Br\n0.000000 0.604871 0.151797 Br\n0.000000 0.518728 0.500000 Br\n0.500000 0.481272 0.000000 Br\n0.500000 0.395129 0.348203 Br\n0.500000 0.395129 0.651797 Br\n0.000000 0.110165 0.363627 Br\n0.000000 0.110165 0.636373 Br\n0.000000 0.055517 0.000000 Br\n",
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{
"id": "mp-560635",
"created_at": "2022-09-04T14:42:19.162103Z",
"structure_string": "Cs8 Mo4 S16\n1.0\n7.395711 0.000000 0.000000\n0.000000 10.326300 0.000000\n0.000000 0.000000 13.144506\nCs Mo S\n8 4 16\ndirect\n0.750000 0.843857 0.601268 Cs\n0.250000 0.656143 0.101268 Cs\n0.250000 0.466165 0.668918 Cs\n0.750000 0.343857 0.898732 Cs\n0.750000 0.033835 0.168918 Cs\n0.250000 0.156143 0.398732 Cs\n0.250000 0.966165 0.831082 Cs\n0.750000 0.533835 0.331082 Cs\n0.750000 0.252685 0.578922 Mo\n0.250000 0.247315 0.078922 Mo\n0.250000 0.747315 0.421078 Mo\n0.750000 0.752685 0.921078 Mo\n0.507880 0.666823 0.851206 S\n0.492120 0.333177 0.148794 S\n0.750000 0.963969 0.895737 S\n0.492120 0.833177 0.351206 S\n0.750000 0.209114 0.414710 S\n0.250000 0.790886 0.585290 S\n0.250000 0.290886 0.914710 S\n0.507880 0.166823 0.648794 S\n0.007880 0.333177 0.148794 S\n0.250000 0.036031 0.104263 S\n0.750000 0.463969 0.604263 S\n0.992120 0.666823 0.851206 S\n0.750000 0.709114 0.085290 S\n0.992120 0.166823 0.648794 S\n0.007880 0.833177 0.351206 S\n0.250000 0.536031 0.395737 S\n",
"nsites": 28,
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"elements": [
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"density": 3.2422454829665734,
"density_atomic": 0.027892606006438996,
"volume": 1003.8502674700318,
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"formula_full": "Cs8 Mo4 S16",
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"formula_anonymous": "AB2C4",
"energy": -152.51189406,
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"updated_at": "2021-11-28T01:35:34.987000Z",
"spacegroup": 62
},
{
"id": "mp-766702",
"created_at": "2022-09-04T14:42:19.162829Z",
"structure_string": "Li8 Si6 Ni2 O18\n1.0\n5.059314 3.671977 0.000000\n-5.059314 3.671977 0.000000\n0.000000 0.264465 9.981591\nLi Si Ni O\n8 6 2 18\ndirect\n0.808815 0.621864 0.210456 Li\n0.461082 0.813784 0.787422 Li\n0.559675 0.440325 0.500000 Li\n0.990602 0.009398 0.500000 Li\n0.625860 0.374140 0.000000 Li\n0.001177 0.998823 0.000000 Li\n0.186216 0.538918 0.212578 Li\n0.378136 0.191185 0.789544 Li\n0.882115 0.662538 0.747313 Si\n0.485313 0.927871 0.493929 Si\n0.509813 0.871945 0.052522 Si\n0.128055 0.490187 0.947478 Si\n0.072129 0.514687 0.506071 Si\n0.337462 0.117885 0.252687 Si\n0.830408 0.184733 0.249112 Ni\n0.815267 0.169592 0.750888 Ni\n0.791340 0.860484 0.793078 O\n0.954962 0.690235 0.584371 O\n0.747898 0.894635 0.120047 O\n0.714094 0.969852 0.408124 O\n0.948071 0.493689 0.063915 O\n0.969374 0.496672 0.357830 O\n0.324317 0.879607 0.174741 O\n0.689827 0.424951 0.775175 O\n0.354942 0.645058 0.500000 O\n0.394838 0.605162 0.000000 O\n0.575049 0.310173 0.224825 O\n0.120393 0.675683 0.825259 O\n0.503328 0.030626 0.642170 O\n0.506311 0.051929 0.936085 O\n0.030148 0.285906 0.591876 O\n0.105365 0.252102 0.879953 O\n0.309765 0.045038 0.415629 O\n0.139516 0.208660 0.206922 O\n",
"nsites": 34,
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"elements": [
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"density": 2.818163680067082,
"density_atomic": 0.09167640286904385,
"volume": 370.86969968234536,
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"formula_full": "Li8 Si6 Ni2 O18",
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"formula_anonymous": "AB3C4D9",
"energy": -239.48218393,
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"spacegroup": 5
},
{
"id": "mp-1041685",
"created_at": "2022-09-04T14:42:19.167830Z",
"structure_string": "Al2 Co2 W4 O16\n1.0\n5.698050 0.000000 0.000000\n0.000000 5.028799 0.000000\n0.000000 4.867684 9.138924\nAl Co W O\n2 2 4 16\ndirect\n0.655404 0.000000 0.750000 Al\n0.344596 0.000000 0.250000 Al\n0.355475 0.500000 0.750000 Co\n0.644525 0.500000 0.250000 Co\n0.171716 0.242260 0.502256 W\n0.171716 0.757740 0.997744 W\n0.828284 0.757740 0.497744 W\n0.828284 0.242260 0.002256 W\n0.398498 0.747570 0.870727 O\n0.398498 0.252430 0.629273 O\n0.601502 0.252430 0.129273 O\n0.601502 0.747570 0.370727 O\n0.888778 0.182457 0.386683 O\n0.888778 0.817543 0.113317 O\n0.111222 0.817543 0.613317 O\n0.111222 0.182457 0.886683 O\n0.641136 0.205770 0.862526 O\n0.641136 0.794230 0.637474 O\n0.358864 0.794230 0.137474 O\n0.358864 0.205770 0.362526 O\n0.881797 0.691971 0.887774 O\n0.118203 0.308029 0.112226 O\n0.881797 0.308029 0.612226 O\n0.118203 0.691971 0.387774 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Al-Co-O-W",
"density": 7.375821114458839,
"density_atomic": 0.09164855941488982,
"volume": 261.8699099388223,
"volume_molar": 6.570906076917128,
"formula_full": "Al2 Co2 W4 O16",
"formula_reduced": "AlCo(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -204.81611376,
"energy_per_atom": -8.53400474,
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"spacegroup": 13
},
{
"id": "mp-5967",
"created_at": "2022-09-04T14:42:19.170158Z",
"structure_string": "Ti1 Co1 Sb1\n1.0\n0.000000 2.946780 2.946780\n2.946780 0.000000 2.946780\n2.946780 2.946780 0.000000\nTi Co Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Co\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 3,
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"elements": [
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"density": 7.41611676208167,
"density_atomic": 0.05862031100728423,
"volume": 51.1768011539075,
"volume_molar": 10.273130006512046,
"formula_full": "Ti1 Co1 Sb1",
"formula_reduced": "TiCoSb",
"formula_anonymous": "ABC",
"energy": -21.30832204,
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"updated_at": "2021-11-28T01:35:44.263000Z",
"spacegroup": 216
},
{
"id": "mp-1209088",
"created_at": "2022-09-04T14:42:19.175113Z",
"structure_string": "Rb2 Y2 Be2 F12\n1.0\n5.912975 0.000000 0.000000\n0.000000 6.565102 0.000000\n0.000000 2.914806 6.648349\nRb Y Be F\n2 2 2 12\ndirect\n0.250000 0.078502 0.787714 Rb\n0.750000 0.921498 0.212286 Rb\n0.250000 0.391450 0.180365 Y\n0.750000 0.608550 0.819635 Y\n0.250000 0.767307 0.464396 Be\n0.750000 0.232693 0.535604 Be\n0.464012 0.758561 0.595134 F\n0.535988 0.241439 0.404866 F\n0.964012 0.241439 0.404866 F\n0.035988 0.758561 0.595134 F\n0.250000 0.569455 0.398884 F\n0.750000 0.430545 0.601116 F\n0.499012 0.675592 0.031014 F\n0.500988 0.324408 0.968986 F\n0.999012 0.324408 0.968986 F\n0.000988 0.675592 0.031014 F\n0.250000 0.993710 0.272339 F\n0.750000 0.006290 0.727661 F\n",
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"elements": [
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],
"chemical_system": "Be-F-Rb-Y",
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"density_atomic": 0.0697446942900225,
"volume": 258.0841479518111,
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"formula_full": "Rb2 Y2 Be2 F12",
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"spacegroup": 11
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{
"id": "mp-2314",
"created_at": "2022-09-04T14:42:19.180870Z",
"structure_string": "Li1 Pb1\n1.0\n3.567851 0.000000 0.000000\n0.000000 3.567851 0.000000\n0.000000 0.000000 3.567851\nLi Pb\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Pb\n",
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"updated_at": "2021-11-28T01:35:42.645000Z",
"spacegroup": 221
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{
"id": "mp-622262",
"created_at": "2022-09-04T14:42:19.159678Z",
"structure_string": "Te24 Mo4 Br12\n1.0\n8.635533 0.000000 0.000000\n3.335150 11.589172 0.000000\n1.743850 1.767516 14.433082\nTe Mo Br\n24 4 12\ndirect\n0.331427 0.348283 0.454991 Te\n0.176148 0.155606 0.056529 Te\n0.463607 0.810462 0.304065 Te\n0.903927 0.198182 0.956297 Te\n0.188418 0.471537 0.106128 Te\n0.354560 0.709542 0.474443 Te\n0.767112 0.956479 0.530556 Te\n0.232888 0.043521 0.469444 Te\n0.784821 0.728563 0.368104 Te\n0.823852 0.844394 0.943471 Te\n0.645440 0.290458 0.525557 Te\n0.969974 0.239858 0.208553 Te\n0.145060 0.427533 0.869388 Te\n0.299495 0.700119 0.896701 Te\n0.811582 0.528463 0.893872 Te\n0.536393 0.189538 0.695935 Te\n0.700505 0.299881 0.103299 Te\n0.635971 0.062217 0.365606 Te\n0.854940 0.572467 0.130612 Te\n0.364029 0.937783 0.634394 Te\n0.096073 0.801818 0.043703 Te\n0.215179 0.271437 0.631896 Te\n0.668573 0.651717 0.545009 Te\n0.030026 0.760142 0.791447 Te\n0.026584 0.616758 0.965282 Mo\n0.973416 0.383242 0.034718 Mo\n0.529225 0.882919 0.467396 Mo\n0.470775 0.117081 0.532604 Mo\n0.498094 0.333818 0.925907 Br\n0.021613 0.373280 0.402344 Br\n0.501906 0.666182 0.074093 Br\n0.868178 0.111508 0.719522 Br\n0.617823 0.395803 0.301101 Br\n0.382177 0.604197 0.698899 Br\n0.131822 0.888492 0.280478 Br\n0.355145 0.167691 0.231620 Br\n0.254153 0.100767 0.847831 Br\n0.644855 0.832309 0.768380 Br\n0.978387 0.626720 0.597656 Br\n0.745847 0.899233 0.152169 Br\n",
"nsites": 40,
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"elements": [
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],
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"density": 5.064017097547371,
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"volume": 1444.4437551816752,
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"formula_full": "Te24 Mo4 Br12",
"formula_reduced": "Te6MoBr3",
"formula_anonymous": "AB3C6",
"energy": -155.85783666999998,
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"updated_at": "2021-11-28T01:35:43.903000Z",
"spacegroup": 2
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{
"id": "mp-1216857",
"created_at": "2022-09-04T14:42:19.241578Z",
"structure_string": "U4 B3 Ru12\n1.0\n4.155951 0.000000 0.000000\n0.000000 4.155951 0.000000\n0.000000 0.000000 16.382147\nU B Ru\n4 3 12\ndirect\n0.000000 0.000000 0.883654 U\n0.000000 0.000000 0.116346 U\n0.000000 0.000000 0.372353 U\n0.000000 0.000000 0.627647 U\n0.500000 0.500000 0.239916 B\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.760084 B\n0.500000 0.500000 0.883489 Ru\n0.500000 0.500000 0.116511 Ru\n0.500000 0.500000 0.372085 Ru\n0.500000 0.500000 0.627915 Ru\n0.500000 0.000000 0.000000 Ru\n0.500000 0.000000 0.248356 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.000000 0.751644 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.500000 0.248356 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.500000 0.751644 Ru\n",
"nsites": 19,
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"elements": [
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"B",
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],
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"density": 12.89568205336476,
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"volume": 282.95127517283817,
"volume_molar": 8.968275827959605,
"formula_full": "U4 B3 Ru12",
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{
"id": "mp-1579309",
"created_at": "2022-09-04T14:42:19.248130Z",
"structure_string": "Li4 Mn2 P4 O14\n1.0\n-0.001857 5.126079 -0.002090\n-4.473809 -2.561265 -0.153840\n-3.096753 -0.004108 12.979534\nLi Mn P O\n4 2 4 14\ndirect\n0.694527 0.782304 0.095431 Li\n0.912342 0.217996 0.404595 Li\n0.088149 0.782766 0.595358 Li\n0.304839 0.216952 0.904566 Li\n0.500410 0.499946 0.499850 Mn\n0.999701 0.499636 0.000042 Mn\n0.667087 0.909432 0.867779 P\n0.757800 0.090387 0.632253 P\n0.242736 0.910322 0.367732 P\n0.332347 0.089885 0.132256 P\n0.802667 0.999682 0.750058 O\n0.196937 0.000203 0.249990 O\n0.336075 0.816665 0.103136 O\n0.519503 0.183366 0.396914 O\n0.481248 0.817872 0.602752 O\n0.663219 0.182404 0.897072 O\n0.729519 0.376759 0.618865 O\n0.352667 0.623404 0.881097 O\n0.646764 0.375892 0.118878 O\n0.271197 0.624071 0.381192 O\n0.051195 0.153223 0.576190 O\n0.897626 0.846468 0.924021 O\n0.101767 0.152691 0.075988 O\n0.949678 0.847676 0.423987 O\n",
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"formula_full": "Li4 Mn2 P4 O14",
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}
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}