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{
"id": "mp-1227560",
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"structure_string": "Ce4 Ga2 S5 O4\n1.0\n3.893215 0.000000 0.000000\n-0.028312 7.862122 0.000000\n-1.944281 -1.939944 9.275023\nCe Ga S O\n4 2 5 4\ndirect\n0.810664 0.415468 0.644138 Ce\n0.808310 0.919620 0.633256 Ce\n0.168067 0.593155 0.360750 Ce\n0.172354 0.106150 0.362049 Ce\n0.492547 0.653476 0.000239 Ga\n0.832091 0.161958 0.999829 Ga\n0.599567 0.307440 0.224904 S\n0.597800 0.827754 0.220590 S\n0.378911 0.717270 0.778973 S\n0.375450 0.190024 0.776751 S\n0.986135 0.487955 0.997455 S\n0.243941 0.384906 0.507335 O\n0.237524 0.879278 0.494431 O\n0.739408 0.630882 0.499566 O\n0.741231 0.132664 0.499732 O\n",
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{
"id": "mp-18468",
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"structure_string": "Mn20 Si4 C4\n1.0\n3.921776 -5.007500 0.000000\n3.921776 5.007500 0.000000\n0.000000 0.000000 7.497350\nMn Si C\n20 4 4\ndirect\n0.874078 0.125922 0.000000 Mn\n0.125922 0.874078 0.500000 Mn\n0.874078 0.125922 0.500000 Mn\n0.125922 0.874078 0.000000 Mn\n0.064054 0.299426 0.250000 Mn\n0.935946 0.700574 0.750000 Mn\n0.700574 0.935946 0.750000 Mn\n0.299426 0.064054 0.250000 Mn\n0.192656 0.484017 0.564761 Mn\n0.807344 0.515983 0.064761 Mn\n0.515983 0.807344 0.064761 Mn\n0.484017 0.192656 0.564761 Mn\n0.865753 0.865753 0.250000 Mn\n0.134247 0.134247 0.750000 Mn\n0.532917 0.532917 0.750000 Mn\n0.467083 0.467083 0.250000 Mn\n0.484017 0.192656 0.935239 Mn\n0.515983 0.807344 0.435239 Mn\n0.807344 0.515983 0.435239 Mn\n0.192656 0.484017 0.935239 Mn\n0.334396 0.823974 0.750000 Si\n0.665604 0.176026 0.250000 Si\n0.176026 0.665604 0.250000 Si\n0.823974 0.334396 0.750000 Si\n0.806972 0.806972 0.965321 C\n0.193028 0.193028 0.465321 C\n0.806972 0.806972 0.534679 C\n0.193028 0.193028 0.034679 C\n",
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"formula_full": "Mn20 Si4 C4",
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},
{
"id": "mp-697730",
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"structure_string": "Mn6 P8 O32\n1.0\n6.322223 -0.001986 -0.000617\n3.151445 9.494155 0.287381\n0.000137 0.027008 10.889864\nMn P O\n6 8 32\ndirect\n0.365168 0.307498 0.251154 Mn\n0.634832 0.692502 0.748846 Mn\n0.000000 0.500000 0.000000 Mn\n0.327264 0.307556 0.750696 Mn\n0.672736 0.692444 0.249304 Mn\n0.500000 0.500000 0.500000 Mn\n0.422298 0.827795 0.490517 P\n0.577702 0.172205 0.509483 P\n0.780066 0.402269 0.754939 P\n0.219934 0.597731 0.245061 P\n0.250015 0.172210 0.009178 P\n0.182469 0.597678 0.745204 P\n0.817531 0.402322 0.254796 P\n0.749985 0.827790 0.990822 P\n0.368128 0.166293 0.882201 O\n0.731158 0.513050 0.359581 O\n0.631872 0.833707 0.117799 O\n0.465482 0.166145 0.382295 O\n0.534518 0.833855 0.617705 O\n0.941943 0.689875 0.721884 O\n0.767301 0.035414 0.532900 O\n0.243860 0.487169 0.140210 O\n0.962693 0.696047 0.991984 O\n0.788240 0.518933 0.145636 O\n0.327121 0.690220 0.769748 O\n0.341776 0.696068 0.491882 O\n0.412375 0.185862 0.113692 O\n0.658224 0.303932 0.508118 O\n0.268842 0.486950 0.640419 O\n0.058057 0.310125 0.278116 O\n0.692653 0.519067 0.645802 O\n0.672879 0.309780 0.230252 O\n0.307347 0.480933 0.354198 O\n0.587625 0.814138 0.886308 O\n0.401300 0.185986 0.613894 O\n0.982901 0.690170 0.269696 O\n0.598700 0.814014 0.386106 O\n0.197270 0.035671 0.033099 O\n0.211760 0.481067 0.854364 O\n0.037307 0.303953 0.008016 O\n0.017099 0.309830 0.730304 O\n0.368324 0.689822 0.221721 O\n0.232699 0.964586 0.467100 O\n0.802730 0.964329 0.966901 O\n0.631676 0.310178 0.778279 O\n0.756140 0.512831 0.859790 O\n",
"nsites": 46,
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"elements": [
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],
"chemical_system": "Mn-O-P",
"density": 2.767418915744528,
"density_atomic": 0.07037146638314347,
"volume": 653.6740296066741,
"volume_molar": 8.55764569010391,
"formula_full": "Mn6 P8 O32",
"formula_reduced": "Mn3(PO4)4",
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},
{
"id": "mp-1235516",
"created_at": "2022-09-04T14:40:54.863562Z",
"structure_string": "Li1 Y5 Mo2 O12\n1.0\n5.948730 0.000000 0.000000\n-2.974365 5.971369 -1.852887\n0.000000 0.023584 7.394381\nLi Y Mo O\n1 5 2 12\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Y\n0.196409 0.392816 0.844260 Y\n0.803591 0.607184 0.155740 Y\n0.794393 0.588786 0.641566 Y\n0.205607 0.411214 0.358434 Y\n0.731430 0.000000 0.000000 Mo\n0.268570 0.000000 0.000000 Mo\n0.001860 0.003721 0.810626 O\n0.998140 0.996279 0.189374 O\n0.493230 0.986461 0.198378 O\n0.506770 0.013539 0.801622 O\n0.617442 0.710625 0.434435 O\n0.906817 0.289375 0.565565 O\n0.382558 0.289375 0.565565 O\n0.404207 0.340679 0.094823 O\n0.063528 0.659321 0.905177 O\n0.595793 0.659321 0.905177 O\n0.936472 0.340679 0.094823 O\n0.093183 0.710625 0.434435 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Li-Mo-O-Y",
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"density_atomic": 0.07606772167167955,
"volume": 262.92361017887714,
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"formula_full": "Li1 Y5 Mo2 O12",
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"updated_at": "2021-11-28T01:35:00.617000Z",
"spacegroup": 12
},
{
"id": "mp-20919",
"created_at": "2022-09-04T14:40:54.886435Z",
"structure_string": "Rb6 Cr2 F14\n1.0\n8.224641 0.000000 0.000000\n0.000000 8.224641 0.000000\n0.000000 0.000000 6.044379\nRb Cr F\n6 2 14\ndirect\n0.191882 0.691882 0.500000 Rb\n0.691882 0.808118 0.500000 Rb\n0.308118 0.191882 0.500000 Rb\n0.808118 0.308118 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.388607 0.888607 0.776739 F\n0.611393 0.111393 0.776739 F\n0.111393 0.388607 0.776739 F\n0.888607 0.611393 0.776739 F\n0.388607 0.888607 0.223261 F\n0.888607 0.611393 0.223261 F\n0.111393 0.388607 0.223261 F\n0.611393 0.111393 0.223261 F\n0.000000 0.000000 0.500000 F\n0.500000 0.500000 0.500000 F\n0.840949 0.340949 0.000000 F\n0.340949 0.159051 0.000000 F\n0.659051 0.840949 0.000000 F\n0.159051 0.659051 0.000000 F\n",
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"elements": [
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],
"chemical_system": "Cr-F-Rb",
"density": 3.585207889065388,
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"volume": 408.87032248347714,
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"formula_full": "Rb6 Cr2 F14",
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{
"id": "mp-764936",
"created_at": "2022-09-04T14:40:54.987171Z",
"structure_string": "Li8 Fe5 O10\n1.0\n1.807292 5.144238 0.000000\n-1.807292 5.144238 0.000000\n0.000000 4.105870 13.873307\nLi Fe O\n8 5 10\ndirect\n0.785835 0.785835 0.535485 Li\n0.215401 0.215401 0.661714 Li\n0.776040 0.776040 0.755912 Li\n0.774375 0.774375 0.927289 Li\n0.215349 0.215349 0.052330 Li\n0.223263 0.223263 0.264894 Li\n0.786861 0.786861 0.146533 Li\n0.226525 0.226525 0.442313 Li\n0.501463 0.501463 0.199647 Fe\n0.500136 0.500136 0.598219 Fe\n0.505651 0.505651 0.398671 Fe\n0.499099 0.499099 0.998913 Fe\n0.494941 0.494941 0.802462 Fe\n0.625512 0.625512 0.869099 O\n0.374195 0.374195 0.318328 O\n0.366961 0.366961 0.730040 O\n0.353991 0.353991 0.528533 O\n0.359083 0.359083 0.924696 O\n0.640383 0.640383 0.074630 O\n0.640956 0.640956 0.472847 O\n0.637205 0.637205 0.262707 O\n0.635974 0.635974 0.681311 O\n0.363730 0.363730 0.130971 O\n",
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{
"id": "mp-756727",
"created_at": "2022-09-04T14:41:02.242208Z",
"structure_string": "Li4 Nb1 Co3 O8\n1.0\n5.210228 -2.990564 0.000000\n5.210228 2.990564 0.000000\n3.493706 0.000000 4.887122\nLi Nb Co O\n4 1 3 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.734187 0.734187 0.734187 O\n0.764101 0.240244 0.240244 O\n0.240244 0.240244 0.764101 O\n0.265813 0.265813 0.265813 O\n0.240244 0.764101 0.240244 O\n0.235899 0.759756 0.759756 O\n0.759756 0.759756 0.235899 O\n0.759756 0.235899 0.759756 O\n",
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{
"id": "mp-1194083",
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"structure_string": "Hf8 Fe8 Ge14\n1.0\n0.000000 0.000000 5.145931\n-6.680283 6.680283 2.572966\n-6.680283 -6.680283 2.572966\nHf Fe Ge\n8 8 14\ndirect\n0.139635 0.000000 0.720730 Hf\n0.860365 0.000000 0.279270 Hf\n0.860365 0.279270 0.000000 Hf\n0.139635 0.720730 0.000000 Hf\n0.500000 0.194921 0.805079 Hf\n0.500000 0.805079 0.194921 Hf\n0.305079 0.194921 0.194921 Hf\n0.694921 0.805079 0.805079 Hf\n0.398795 0.500000 0.202410 Fe\n0.101205 0.500000 0.797590 Fe\n0.101205 0.797590 0.500000 Fe\n0.398795 0.202410 0.500000 Fe\n0.601205 0.797590 0.500000 Fe\n0.898795 0.202410 0.500000 Fe\n0.898795 0.500000 0.202410 Fe\n0.601205 0.500000 0.797590 Fe\n0.293795 0.000000 0.412410 Ge\n0.706205 0.000000 0.587590 Ge\n0.706205 0.587590 0.000000 Ge\n0.293795 0.412410 0.000000 Ge\n0.000000 0.290316 0.709684 Ge\n0.000000 0.709684 0.290316 Ge\n0.709684 0.290316 0.290316 Ge\n0.290316 0.709684 0.709684 Ge\n0.500000 0.406274 0.593726 Ge\n0.500000 0.593726 0.406274 Ge\n0.093726 0.406274 0.406274 Ge\n0.906274 0.593726 0.593726 Ge\n0.751250 0.000000 0.000000 Ge\n0.248750 0.000000 0.000000 Ge\n",
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"volume": 459.28649602826357,
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"formula_full": "Hf8 Fe8 Ge14",
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{
"id": "mp-761501",
"created_at": "2022-09-04T14:40:59.506154Z",
"structure_string": "Mn2 Co1 O6\n1.0\n1.448990 6.360557 0.000000\n-1.448990 6.360557 0.000000\n0.000000 1.442880 5.678706\nMn Co O\n2 1 6\ndirect\n0.665989 0.665989 0.169924 Mn\n0.334011 0.334011 0.830076 Mn\n0.000000 0.000000 0.500000 Co\n0.152843 0.152843 0.393022 O\n0.490214 0.490214 0.714253 O\n0.823149 0.823149 0.055340 O\n0.509786 0.509786 0.285747 O\n0.847157 0.847157 0.606978 O\n0.176851 0.176851 0.944660 O\n",
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{
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"structure_string": "Na8 Ni4 O12\n1.0\n4.504722 2.601188 0.000000\n-4.504722 2.601188 0.000000\n0.000000 1.804721 10.607418\nNa Ni O\n8 4 12\ndirect\n0.842257 0.684330 0.999355 Na\n0.684330 0.842257 0.499355 Na\n0.000000 0.500000 0.500000 Na\n0.915566 0.084434 0.750000 Na\n0.084434 0.915566 0.250000 Na\n0.315670 0.157743 0.500645 Na\n0.500000 0.000000 0.000000 Na\n0.157743 0.315670 0.000645 Na\n0.582594 0.417406 0.750000 Ni\n0.249642 0.750358 0.750000 Ni\n0.417406 0.582594 0.250000 Ni\n0.750358 0.249642 0.250000 Ni\n0.949349 0.740708 0.651658 O\n0.882286 0.428557 0.848218 O\n0.740708 0.949349 0.151658 O\n0.503561 0.671705 0.848048 O\n0.428557 0.882286 0.348218 O\n0.671705 0.503561 0.348048 O\n0.328295 0.496439 0.651952 O\n0.571443 0.117714 0.651782 O\n0.496439 0.328295 0.151952 O\n0.259292 0.050651 0.848342 O\n0.117714 0.571443 0.151782 O\n0.050651 0.259292 0.348342 O\n",
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{
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"formula_full": "Eu1 Dy1 Ti4 O12",
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"updated_at": "2021-11-28T01:34:59.702000Z",
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{
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"elements": [
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"formula_full": "Rb3 Th1",
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"updated_at": "2021-11-28T01:35:12.204000Z",
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}