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{
"id": "mp-540640",
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"structure_string": "Sr2 Ti6 O13\n1.0\n1.961348 7.368331 0.000000\n-1.961348 7.368331 0.000000\n0.000000 1.383340 9.153341\nSr Ti O\n2 6 13\ndirect\n0.548900 0.548900 0.221034 Sr\n0.451100 0.451100 0.778966 Sr\n0.877075 0.877075 0.095234 Ti\n0.122925 0.122925 0.904766 Ti\n0.835648 0.835648 0.441165 Ti\n0.164352 0.164352 0.558835 Ti\n0.756590 0.756590 0.769589 Ti\n0.243410 0.243410 0.230411 Ti\n0.000000 0.000000 0.000000 O\n0.756063 0.756063 0.247757 O\n0.243937 0.243937 0.752243 O\n0.935018 0.935018 0.297939 O\n0.064982 0.064982 0.702061 O\n0.697924 0.697924 0.569678 O\n0.302076 0.302076 0.430322 O\n0.875521 0.875521 0.617094 O\n0.124479 0.124479 0.382906 O\n0.627713 0.627713 0.886159 O\n0.372287 0.372287 0.113841 O\n0.832624 0.832624 0.911152 O\n0.167376 0.167376 0.088848 O\n",
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{
"id": "mp-1077744",
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"structure_string": "Sm2 Cu2 Pb2\n1.0\n2.309405 -4.000006 0.000000\n2.309405 4.000006 0.000000\n0.000000 0.000000 7.713185\nSm Cu Pb\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n",
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"spacegroup": 194
},
{
"id": "mp-1028305",
"created_at": "2022-09-04T14:40:25.522916Z",
"structure_string": "K1 Mg14 Sn1\n1.0\n6.515191 -0.039403 0.000000\n-3.291719 5.701424 0.000000\n0.000000 0.000000 10.637868\nK Mg Sn\n1 14 1\ndirect\n0.169000 0.834499 0.125000 K\n0.164262 0.332131 0.625000 Mg\n0.168397 0.834198 0.625000 Mg\n0.667364 0.340423 0.125000 Mg\n0.668667 0.330772 0.625000 Mg\n0.667364 0.826939 0.125000 Mg\n0.668667 0.837894 0.625000 Mg\n0.334094 0.173605 0.387106 Mg\n0.334094 0.173605 0.862894 Mg\n0.334094 0.660490 0.387106 Mg\n0.334094 0.660490 0.862894 Mg\n0.831754 0.165878 0.371188 Mg\n0.831754 0.165878 0.878812 Mg\n0.823498 0.661750 0.389576 Mg\n0.823498 0.661750 0.860424 Mg\n0.179398 0.339699 0.125000 Sn\n",
"nsites": 16,
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"elements": [
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"density": 2.100393790633483,
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"volume": 393.7730529693987,
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{
"id": "mp-414",
"created_at": "2022-09-04T14:40:25.529076Z",
"structure_string": "Lu1 Se1\n1.0\n0.000000 2.818482 2.818482\n2.818482 0.000000 2.818482\n2.818482 2.818482 0.000000\nLu Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Se\n",
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"formula_full": "Lu1 Se1",
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"updated_at": "2021-11-28T01:34:55.238000Z",
"spacegroup": 225
},
{
"id": "mp-640956",
"created_at": "2022-09-04T14:40:25.486873Z",
"structure_string": "Eu1 Sb12 Os4\n1.0\n-4.829500 4.829500 4.829500\n4.829500 -4.829500 4.829500\n4.829500 4.829500 -4.829500\nEu Sb Os\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Eu\n0.339636 0.156860 0.496496 Sb\n0.339636 0.843140 0.182777 Sb\n0.660364 0.156860 0.817223 Sb\n0.817223 0.660364 0.156860 Sb\n0.156860 0.496496 0.339636 Sb\n0.503504 0.660364 0.843140 Sb\n0.843140 0.182777 0.339636 Sb\n0.660364 0.843140 0.503504 Sb\n0.182777 0.339636 0.843140 Sb\n0.156860 0.817223 0.660364 Sb\n0.496496 0.339636 0.156860 Sb\n0.843140 0.503504 0.660364 Sb\n0.500000 0.500000 0.500000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n",
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"elements": [
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"density": 8.749113313410318,
"density_atomic": 0.03772961893007904,
"volume": 450.5743890895001,
"volume_molar": 15.961308199693985,
"formula_full": "Eu1 Sb12 Os4",
"formula_reduced": "Eu(Sb3Os)4",
"formula_anonymous": "AB4C12",
"energy": -106.6588705,
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"updated_at": "2021-11-28T01:35:01.453000Z",
"spacegroup": 204
},
{
"id": "mp-771209",
"created_at": "2022-09-04T14:40:25.492467Z",
"structure_string": "Li7 Cr3 W2 O16\n1.0\n2.943282 5.126974 0.000000\n-2.943282 5.126974 0.000000\n0.000000 0.050212 9.687605\nLi Cr W O\n7 3 2 16\ndirect\n0.338208 0.830178 0.789724 Li\n0.667859 0.667859 0.097927 Li\n0.999957 0.999957 0.004336 Li\n0.994506 0.994506 0.512378 Li\n0.830178 0.338208 0.789724 Li\n0.165216 0.165216 0.291191 Li\n0.335547 0.335547 0.597209 Li\n0.820443 0.820443 0.763533 Cr\n0.157106 0.653086 0.280313 Cr\n0.653086 0.157106 0.280313 Cr\n0.647467 0.647467 0.511980 W\n0.334715 0.334715 0.004373 W\n0.336246 0.825725 0.410330 O\n0.518442 0.518442 0.644545 O\n0.700253 0.700253 0.886900 O\n0.980013 0.980013 0.706360 O\n0.992079 0.992079 0.201129 O\n0.825725 0.336246 0.410330 O\n0.537121 0.961128 0.644623 O\n0.961128 0.537121 0.644623 O\n0.174191 0.174191 0.925017 O\n0.826466 0.826466 0.398532 O\n0.041708 0.497855 0.159472 O\n0.497855 0.041708 0.159472 O\n0.352744 0.352744 0.390386 O\n0.175478 0.655013 0.914051 O\n0.480313 0.480313 0.159311 O\n0.655013 0.175478 0.914051 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.704016966086032,
"density_atomic": 0.0957676043323449,
"volume": 292.37444327030306,
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"formula_full": "Li7 Cr3 W2 O16",
"formula_reduced": "Li7Cr3(WO8)2",
"formula_anonymous": "A2B3C7D16",
"energy": -209.32164359,
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"updated_at": "2021-11-28T01:35:06.458000Z",
"spacegroup": 8
},
{
"id": "mp-757300",
"created_at": "2022-09-04T14:40:25.496222Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n4.287751 0.000000 0.000687\n0.000000 14.291663 0.000014\n0.000760 0.000004 4.765610\nLi Ni P O\n4 4 4 16\ndirect\n0.999999 0.248233 0.750003 Li\n0.999998 0.751768 0.249998 Li\n0.499999 0.251753 0.249997 Li\n0.499998 0.748247 0.750005 Li\n0.500001 0.436919 0.749999 Ni\n0.500000 0.563078 0.250010 Ni\n0.000022 0.063297 0.249996 Ni\n0.000021 0.936701 0.749970 Ni\n0.999996 0.389863 0.249998 P\n0.999995 0.610137 0.750002 P\n0.499998 0.889900 0.249991 P\n0.500001 0.110102 0.750013 P\n0.185554 0.329767 0.466697 O\n0.185548 0.670229 0.966697 O\n0.314374 0.170193 0.966779 O\n0.314375 0.829805 0.466775 O\n0.685618 0.170201 0.533232 O\n0.685625 0.829805 0.033230 O\n0.814440 0.329771 0.033304 O\n0.814439 0.670231 0.533301 O\n0.259196 0.049272 0.588959 O\n0.259194 0.950728 0.088953 O\n0.240727 0.450690 0.088968 O\n0.240723 0.549310 0.588968 O\n0.759267 0.549309 0.911039 O\n0.759270 0.450689 0.411037 O\n0.740813 0.049272 0.911039 O\n0.740807 0.950731 0.411038 O\n",
"nsites": 28,
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"formula_full": "Li4 Ni4 P4 O16",
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{
"id": "mp-774921",
"created_at": "2022-09-04T14:40:25.535831Z",
"structure_string": "K4 Li4 Ni4 O8\n1.0\n5.811931 -0.042706 0.118319\n0.899212 -2.008986 7.248126\n-1.939023 -6.341585 0.000544\nK Li Ni O\n4 4 4 8\ndirect\n0.696107 0.626097 0.767541 K\n0.696061 0.626113 0.267582 K\n0.303893 0.373903 0.232459 K\n0.303939 0.373887 0.732418 K\n0.368267 0.948544 0.854858 Li\n0.368369 0.948556 0.355045 Li\n0.631733 0.051456 0.145141 Li\n0.631631 0.051443 0.644956 Li\n0.922059 0.183971 0.934540 Ni\n0.077942 0.816030 0.065459 Ni\n0.922095 0.184287 0.434480 Ni\n0.077904 0.815712 0.565520 Ni\n0.268586 0.082098 0.046573 O\n0.268369 0.081958 0.546548 O\n0.731414 0.917901 0.953427 O\n0.731631 0.918043 0.453451 O\n0.223833 0.700769 0.880831 O\n0.223594 0.700629 0.380685 O\n0.776167 0.299231 0.119169 O\n0.776406 0.299372 0.619315 O\n",
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"formula_full": "K4 Li4 Ni4 O8",
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{
"id": "mp-1028509",
"created_at": "2022-09-04T14:40:25.574492Z",
"structure_string": "Te2 Mo1 W3 Se2 S4\n1.0\n1.654459 -2.865606 0.000000\n1.654459 2.865606 0.000000\n0.000000 0.000000 37.553832\nTe Mo W Se S\n2 1 3 2 4\ndirect\n0.333333 0.666667 0.708808 Te\n0.333333 0.666667 0.606296 Te\n0.333333 0.666667 0.469632 Mo\n0.333333 0.666667 0.093913 W\n0.666667 0.333333 0.281801 W\n0.666667 0.333333 0.657577 W\n0.333333 0.666667 0.326788 Se\n0.333333 0.666667 0.236818 Se\n0.666667 0.333333 0.053050 S\n0.666667 0.333333 0.428961 S\n0.666667 0.333333 0.134773 S\n0.666667 0.333333 0.510330 S\n",
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"formula_full": "Te2 Mo1 W3 Se2 S4",
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{
"id": "mp-1194710",
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"structure_string": "Gd6 Mn23\n1.0\n0.000000 6.083211 6.083211\n6.083211 0.000000 6.083211\n6.083211 6.083211 0.000000\nGd Mn\n6 23\ndirect\n0.710230 0.710230 0.289770 Gd\n0.289770 0.710230 0.289770 Gd\n0.710230 0.289770 0.289770 Gd\n0.289770 0.289770 0.710230 Gd\n0.710230 0.289770 0.710230 Gd\n0.289770 0.710230 0.710230 Gd\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.880681 0.880681 0.357958 Mn\n0.880681 0.357958 0.880681 Mn\n0.357958 0.880681 0.880681 Mn\n0.880681 0.880681 0.880681 Mn\n0.119319 0.119319 0.642042 Mn\n0.119319 0.642042 0.119319 Mn\n0.642042 0.119319 0.119319 Mn\n0.119319 0.119319 0.119319 Mn\n0.677435 0.677435 0.967696 Mn\n0.677435 0.967696 0.677435 Mn\n0.967696 0.677435 0.677435 Mn\n0.677435 0.677435 0.677435 Mn\n0.322565 0.322565 0.032304 Mn\n0.322565 0.032304 0.322565 Mn\n0.032304 0.322565 0.322565 Mn\n0.322565 0.322565 0.322565 Mn\n",
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{
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"spacegroup": 225
},
{
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}