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{
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{
"id": "mp-1205645",
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"structure_string": "U3 Sn7\n1.0\n2.246920 -12.064510 0.000000\n2.246920 12.064510 0.000000\n0.000000 0.000000 4.658257\nU Sn\n3 7\ndirect\n0.808301 0.191699 0.000000 U\n0.191699 0.808301 0.000000 U\n0.000000 0.000000 0.000000 U\n0.901018 0.098982 0.500000 Sn\n0.098982 0.901018 0.500000 Sn\n0.705751 0.294249 0.500000 Sn\n0.294249 0.705751 0.500000 Sn\n0.597264 0.402736 0.000000 Sn\n0.402736 0.597264 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n",
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{
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{
"id": "mp-1023517",
"created_at": "2022-09-04T14:42:28.859217Z",
"structure_string": "Rb1 Mg15\n1.0\n3.314284 -5.740508 0.000000\n3.314284 5.740508 0.000000\n0.000000 0.000000 10.620304\nRb Mg\n1 15\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Mg\n0.007576 0.503788 0.500000 Mg\n0.997470 0.498735 0.000000 Mg\n0.496212 0.503788 0.500000 Mg\n0.501265 0.498735 0.000000 Mg\n0.496212 0.992424 0.500000 Mg\n0.501265 0.002530 0.000000 Mg\n0.172247 0.344493 0.235075 Mg\n0.172247 0.344493 0.764925 Mg\n0.172247 0.827753 0.235075 Mg\n0.172247 0.827753 0.764925 Mg\n0.655507 0.827753 0.235075 Mg\n0.655507 0.827753 0.764925 Mg\n0.666667 0.333333 0.253290 Mg\n0.666667 0.333333 0.746710 Mg\n",
"nsites": 16,
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"formula_full": "Rb1 Mg15",
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{
"id": "mp-866819",
"created_at": "2022-09-04T14:43:17.191484Z",
"structure_string": "Ca2 Sn1 S4\n1.0\n-2.497797 2.497797 7.084579\n2.497797 -2.497797 7.084579\n2.497797 2.497797 -7.084579\nCa Sn S\n2 1 4\ndirect\n0.364401 0.364401 0.000000 Ca\n0.635599 0.635599 0.000000 Ca\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n0.175190 0.175190 0.000000 S\n0.824810 0.824810 0.000000 S\n",
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"formula_full": "Ca2 Sn1 S4",
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{
"id": "mp-1215359",
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"structure_string": "Zr5 Se8\n1.0\n-1.917590 -3.321363 0.000000\n1.917590 -3.321363 0.000000\n1.917590 1.107121 25.777028\nZr Se\n5 8\ndirect\n0.750019 0.124991 0.625028 Zr\n0.249038 0.375481 0.873557 Zr\n0.750962 0.624519 0.126443 Zr\n0.249981 0.875009 0.374972 Zr\n0.000000 0.000000 0.000000 Zr\n0.375818 0.812091 0.563727 Se\n0.875377 0.062312 0.813065 Se\n0.374973 0.312514 0.062459 Se\n0.875683 0.562159 0.313524 Se\n0.124317 0.437841 0.686476 Se\n0.625027 0.687486 0.937541 Se\n0.124623 0.937688 0.186935 Se\n0.624182 0.187909 0.436273 Se\n",
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"updated_at": "2021-11-28T01:34:44.129000Z",
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},
{
"id": "mp-29950",
"created_at": "2022-09-04T14:44:59.536772Z",
"structure_string": "Nb6 Cl16\n1.0\n3.415702 -5.916169 0.000000\n3.415702 5.916169 0.000000\n0.000000 0.000000 13.748900\nNb Cl\n6 16\ndirect\n0.056812 0.528406 0.753350 Nb\n0.471594 0.528406 0.753350 Nb\n0.471594 0.943188 0.753350 Nb\n0.528406 0.471594 0.246650 Nb\n0.943188 0.471594 0.246650 Nb\n0.528406 0.056812 0.246650 Nb\n0.169652 0.339303 0.633024 Cl\n0.660697 0.830348 0.633024 Cl\n0.169652 0.830348 0.633024 Cl\n0.830348 0.660697 0.366976 Cl\n0.830348 0.169652 0.366976 Cl\n0.339303 0.169652 0.366976 Cl\n0.666667 0.333333 0.112807 Cl\n0.333333 0.666667 0.887193 Cl\n0.333333 0.666667 0.344612 Cl\n0.666667 0.333333 0.655388 Cl\n0.668318 0.834159 0.148138 Cl\n0.165841 0.834159 0.148138 Cl\n0.165841 0.331682 0.148138 Cl\n0.834159 0.165841 0.851862 Cl\n0.331682 0.165841 0.851862 Cl\n0.834159 0.668318 0.851862 Cl\n",
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"formula_full": "Nb6 Cl16",
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{
"id": "mp-8272",
"created_at": "2022-09-04T14:39:24.847966Z",
"structure_string": "Yb4 Mg2 S8\n1.0\n0.000000 5.612662 5.612662\n5.612662 0.000000 5.612662\n5.612662 5.612662 0.000000\nYb Mg S\n4 2 8\ndirect\n0.125000 0.625000 0.625000 Yb\n0.625000 0.125000 0.625000 Yb\n0.625000 0.625000 0.125000 Yb\n0.625000 0.625000 0.625000 Yb\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.868186 0.377271 0.377271 S\n0.377271 0.868186 0.377271 S\n0.377271 0.377271 0.868186 S\n0.377271 0.377271 0.377271 S\n0.381814 0.872729 0.872729 S\n0.872729 0.381814 0.872729 S\n0.872729 0.872729 0.381814 S\n0.872729 0.872729 0.872729 S\n",
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"volume": 353.61987294190027,
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"formula_full": "Yb4 Mg2 S8",
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{
"id": "mp-1001019",
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"structure_string": "Mg2 Sc4 Se8\n1.0\n0.000000 5.612674 5.612674\n5.612674 0.000000 5.612674\n5.612674 5.612674 0.000000\nMg Sc Se\n2 4 8\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.125000 0.625000 0.625000 Sc\n0.625000 0.125000 0.625000 Sc\n0.625000 0.625000 0.125000 Sc\n0.625000 0.625000 0.625000 Sc\n0.851433 0.382856 0.382856 Se\n0.382856 0.851433 0.382856 Se\n0.382856 0.382856 0.851433 Se\n0.382856 0.382856 0.382856 Se\n0.398567 0.867144 0.867144 Se\n0.867144 0.398567 0.867144 Se\n0.867144 0.867144 0.398567 Se\n0.867144 0.867144 0.867144 Se\n",
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{
"id": "mp-1028188",
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"structure_string": "Ca1 La1 Mg14\n1.0\n6.656884 0.017859 0.000000\n-3.312975 5.738241 0.000000\n0.000000 0.000000 10.563897\nCa La Mg\n1 1 14\ndirect\n0.172089 0.336044 0.125000 Ca\n0.172279 0.836139 0.125000 La\n0.164618 0.332309 0.625000 Mg\n0.164874 0.832437 0.625000 Mg\n0.663404 0.335874 0.125000 Mg\n0.667648 0.333669 0.625000 Mg\n0.663404 0.827529 0.125000 Mg\n0.667648 0.833978 0.625000 Mg\n0.338523 0.169882 0.387194 Mg\n0.338523 0.169882 0.862806 Mg\n0.338523 0.668642 0.387194 Mg\n0.338523 0.668642 0.862806 Mg\n0.827619 0.163810 0.377398 Mg\n0.827619 0.163810 0.872602 Mg\n0.827354 0.663678 0.380634 Mg\n0.827354 0.663678 0.869366 Mg\n",
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{
"id": "mp-1185629",
"created_at": "2022-09-04T14:39:49.171179Z",
"structure_string": "Mg2 In4\n1.0\n2.879898 -4.988130 0.000000\n2.879898 4.988130 0.000000\n0.000000 0.000000 5.275245\nMg In\n2 4\ndirect\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n0.659514 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.340486 0.340486 0.500000 In\n0.000000 0.659514 0.500000 In\n",
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{
"id": "mp-1224017",
"created_at": "2022-09-04T14:45:12.306051Z",
"structure_string": "K1 Nb6 Te8\n1.0\n-0.000077 -0.000045 -3.710356\n-10.857220 -0.001897 -0.000225\n-5.426969 9.405039 -0.000001\nK Nb Te\n1 6 8\ndirect\n0.500000 0.000000 0.000000 K\n0.748500 0.387992 0.510782 Nb\n0.748501 0.101237 0.388029 Nb\n0.748500 0.510798 0.101211 Nb\n0.251500 0.612008 0.489218 Nb\n0.251499 0.898763 0.611971 Nb\n0.251500 0.489202 0.898789 Nb\n0.753282 0.063207 0.662046 Te\n0.753320 0.274758 0.063167 Te\n0.753275 0.661960 0.274813 Te\n0.246718 0.936793 0.337954 Te\n0.246680 0.725242 0.936833 Te\n0.246725 0.338040 0.725187 Te\n0.750537 0.666654 0.666701 Te\n0.249463 0.333346 0.333299 Te\n",
"nsites": 15,
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{
"id": "mp-861947",
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}