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{
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"structure_string": "Fe6 B2\n1.0\n2.366513 -4.098922 0.000000\n2.366513 4.098922 0.000000\n0.000000 0.000000 4.356557\nFe B\n6 2\ndirect\n0.306259 0.306259 0.000000 Fe\n0.693741 0.000000 0.000000 Fe\n0.000000 0.693741 0.000000 Fe\n0.693741 0.693741 0.500000 Fe\n0.306259 0.000000 0.500000 Fe\n0.000000 0.306259 0.500000 Fe\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n",
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{
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{
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"structure_string": "La10 Fe8 Ni2 O30\n1.0\n2.777192 4.866141 0.000000\n-2.777192 4.866141 0.000000\n0.000000 3.204502 22.959062\nLa Fe Ni O\n10 8 2 30\ndirect\n0.746805 0.746805 0.748645 La\n0.945089 0.945089 0.153273 La\n0.345583 0.345583 0.951755 La\n0.147180 0.147180 0.551283 La\n0.545795 0.545795 0.355023 La\n0.454205 0.454205 0.644977 La\n0.654417 0.654417 0.048245 La\n0.054911 0.054911 0.846727 La\n0.852820 0.852820 0.448717 La\n0.253195 0.253195 0.251355 La\n0.599670 0.599670 0.200892 Fe\n0.000000 0.000000 0.000000 Fe\n0.400330 0.400330 0.799108 Fe\n0.500000 0.500000 0.500000 Fe\n0.899933 0.899933 0.301299 Fe\n0.299601 0.299601 0.100784 Fe\n0.700399 0.700399 0.899216 Fe\n0.100067 0.100067 0.698701 Fe\n0.799828 0.799828 0.599718 Ni\n0.200172 0.200172 0.400282 Ni\n0.279225 0.781445 0.760112 O\n0.479956 0.979428 0.160339 O\n0.879817 0.381346 0.960215 O\n0.679533 0.180151 0.558481 O\n0.080113 0.580151 0.359027 O\n0.419849 0.919887 0.640973 O\n0.618654 0.120183 0.039785 O\n0.020572 0.520044 0.839661 O\n0.819849 0.320467 0.441519 O\n0.218555 0.720775 0.239888 O\n0.919887 0.419849 0.640973 O\n0.120183 0.618654 0.039785 O\n0.520044 0.020572 0.839661 O\n0.320467 0.819849 0.441519 O\n0.720775 0.218555 0.239888 O\n0.781445 0.279225 0.760112 O\n0.979428 0.479956 0.160339 O\n0.381346 0.879817 0.960215 O\n0.180151 0.679533 0.558481 O\n0.580151 0.080113 0.359027 O\n0.680029 0.680029 0.532111 O\n0.081888 0.081888 0.332194 O\n0.486056 0.486056 0.132142 O\n0.886805 0.886805 0.931665 O\n0.286569 0.286569 0.731842 O\n0.319971 0.319971 0.467889 O\n0.713431 0.713431 0.268158 O\n0.113195 0.113195 0.068335 O\n0.513944 0.513944 0.867858 O\n0.918112 0.918112 0.667806 O\n",
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"formula_full": "La10 Fe8 Ni2 O30",
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"spacegroup": 12
},
{
"id": "mp-1227318",
"created_at": "2022-09-04T14:39:07.006707Z",
"structure_string": "Be4 In1 Cu1\n1.0\n0.000000 3.192040 3.192040\n3.192040 0.000000 3.192040\n3.192040 3.192040 0.000000\nBe In Cu\n4 1 1\ndirect\n0.623699 0.623699 0.128904 Be\n0.623699 0.128904 0.623699 Be\n0.128904 0.623699 0.623699 Be\n0.623699 0.623699 0.623699 Be\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Cu\n",
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"formula_full": "Be4 In1 Cu1",
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"updated_at": "2021-11-28T01:34:30.461000Z",
"spacegroup": 216
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{
"id": "mp-4019",
"created_at": "2022-09-04T14:39:07.002949Z",
"structure_string": "Ca4 Ti4 O12\n1.0\n5.407760 0.000000 0.000000\n0.000000 5.507429 0.000000\n0.000000 0.000000 7.694012\nCa Ti O\n4 4 12\ndirect\n0.509094 0.542875 0.750000 Ca\n0.490906 0.457125 0.250000 Ca\n0.990906 0.042875 0.750000 Ca\n0.009094 0.957125 0.250000 Ca\n0.000000 0.500000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.078086 0.480194 0.750000 O\n0.921914 0.519806 0.250000 O\n0.421914 0.980194 0.750000 O\n0.578086 0.019806 0.250000 O\n0.790623 0.790038 0.958971 O\n0.209377 0.209962 0.458971 O\n0.209377 0.209962 0.041029 O\n0.790623 0.790038 0.541029 O\n0.709377 0.290038 0.958971 O\n0.290623 0.709962 0.458971 O\n0.290623 0.709962 0.041029 O\n0.709377 0.290038 0.541029 O\n",
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"density": 3.9404643432524105,
"density_atomic": 0.08727921272644591,
"volume": 229.14963798636475,
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"formula_full": "Ca4 Ti4 O12",
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{
"id": "mp-771702",
"created_at": "2022-09-04T14:39:06.996650Z",
"structure_string": "V4 Cr8 O24\n1.0\n5.171599 0.000000 0.000000\n0.000000 5.423874 0.000000\n0.000000 0.000000 13.907451\nV Cr O\n4 8 24\ndirect\n0.750000 0.658434 0.000000 V\n0.750000 0.158434 0.500000 V\n0.250000 0.341566 0.000000 V\n0.250000 0.841566 0.500000 V\n0.009366 0.857723 0.174299 Cr\n0.009366 0.357723 0.325701 Cr\n0.990634 0.642277 0.674299 Cr\n0.990634 0.142277 0.825701 Cr\n0.509366 0.642277 0.325701 Cr\n0.490634 0.357723 0.674299 Cr\n0.509366 0.142277 0.174299 Cr\n0.490634 0.857723 0.825701 Cr\n0.937475 0.890099 0.569755 O\n0.809483 0.382990 0.593456 O\n0.809483 0.882990 0.906544 O\n0.937475 0.390099 0.930245 O\n0.846820 0.629819 0.259867 O\n0.846820 0.129819 0.240133 O\n0.653180 0.629819 0.740133 O\n0.653180 0.129819 0.759867 O\n0.690517 0.882990 0.093456 O\n0.562525 0.390099 0.069755 O\n0.562525 0.890099 0.430245 O\n0.690517 0.382990 0.406544 O\n0.309483 0.617010 0.593456 O\n0.437475 0.109901 0.569755 O\n0.437475 0.609901 0.930245 O\n0.309483 0.117010 0.906544 O\n0.346820 0.870181 0.240133 O\n0.346820 0.370181 0.259867 O\n0.153180 0.870181 0.759867 O\n0.153180 0.370181 0.740133 O\n0.190517 0.117010 0.093456 O\n0.062525 0.109901 0.430245 O\n0.190517 0.617010 0.406544 O\n0.062525 0.609901 0.069755 O\n",
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"formula_full": "V4 Cr8 O24",
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{
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"structure_string": "Lu1 Mn2 Ge2\n1.0\n-1.948307 1.948307 5.399258\n1.948307 -1.948307 5.399258\n1.948307 1.948307 -5.399258\nLu Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.617128 0.617128 0.000000 Ge\n0.382872 0.382872 0.000000 Ge\n",
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{
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"structure_string": "K8 Li12 Ga4 O16\n1.0\n8.908467 0.000000 0.000000\n0.000000 5.608256 0.000000\n0.000000 4.010301 10.322214\nK Li Ga O\n8 12 4 16\ndirect\n0.992786 0.291048 0.862686 K\n0.492786 0.708952 0.637314 K\n0.007214 0.708952 0.137314 K\n0.507214 0.291048 0.362686 K\n0.727866 0.279912 0.609211 K\n0.227866 0.720088 0.890789 K\n0.272134 0.720088 0.390789 K\n0.772134 0.279912 0.109211 K\n0.261470 0.382756 0.200987 Li\n0.761470 0.617244 0.299013 Li\n0.738530 0.617244 0.799013 Li\n0.238530 0.382756 0.700987 Li\n0.035283 0.093371 0.297234 Li\n0.535283 0.906629 0.202766 Li\n0.964717 0.906629 0.702766 Li\n0.464717 0.093371 0.797234 Li\n0.491028 0.628494 0.069857 Li\n0.991028 0.371506 0.430143 Li\n0.508972 0.371506 0.930143 Li\n0.008972 0.628494 0.569857 Li\n0.288559 0.102786 0.063508 Ga\n0.788559 0.897214 0.436492 Ga\n0.711441 0.897214 0.936492 Ga\n0.211441 0.102786 0.563508 Ga\n0.322224 0.749481 0.142430 O\n0.822224 0.250519 0.357570 O\n0.677776 0.250519 0.857570 O\n0.177776 0.749481 0.642430 O\n0.189894 0.232476 0.381762 O\n0.689894 0.767524 0.118238 O\n0.810106 0.767524 0.618238 O\n0.310106 0.232476 0.881762 O\n0.109040 0.217470 0.115039 O\n0.609040 0.782530 0.384961 O\n0.890960 0.782530 0.884961 O\n0.390960 0.217470 0.615039 O\n0.051367 0.258352 0.623492 O\n0.551367 0.741648 0.876508 O\n0.948633 0.741648 0.376508 O\n0.448633 0.258352 0.123492 O\n",
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"formula_full": "K8 Li12 Ga4 O16",
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{
"id": "mp-778247",
"created_at": "2022-09-04T14:39:06.988823Z",
"structure_string": "Fe10 O6 F14\n1.0\n4.808516 0.000000 0.000000\n0.053266 4.814237 0.000000\n0.057743 0.034619 15.615116\nFe O F\n10 6 14\ndirect\n0.995984 0.002353 0.998893 Fe\n0.038219 0.977371 0.193560 Fe\n0.962922 0.036905 0.399849 Fe\n0.021265 0.959029 0.606177 Fe\n0.976740 0.982215 0.801704 Fe\n0.463662 0.471908 0.105290 Fe\n0.492720 0.500170 0.500033 Fe\n0.499955 0.506739 0.299678 Fe\n0.517835 0.525216 0.694229 Fe\n0.525457 0.527104 0.900458 Fe\n0.821982 0.814466 0.701474 O\n0.817286 0.826274 0.902787 O\n0.308231 0.690896 0.209296 O\n0.305575 0.688758 0.590345 O\n0.665507 0.334123 0.399649 O\n0.178283 0.169532 0.096326 O\n0.798479 0.788754 0.100913 F\n0.802795 0.806245 0.294635 F\n0.799600 0.800135 0.503958 F\n0.291400 0.701442 0.000335 F\n0.284199 0.716394 0.399893 F\n0.298817 0.710826 0.799948 F\n0.699638 0.298629 0.002369 F\n0.713971 0.284875 0.209534 F\n0.714735 0.282705 0.590086 F\n0.705574 0.301937 0.798397 F\n0.194365 0.195276 0.505462 F\n0.198946 0.199554 0.295483 F\n0.200428 0.206177 0.898184 F\n0.205433 0.193990 0.701056 F\n",
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{
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"structure_string": "Na1 Ca1 In1 W1 O6\n1.0\n0.000000 -4.054147 -4.054147\n4.054147 -0.000000 -4.054147\n4.054147 -4.054147 0.000000\nNa Ca In W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 W\n0.738939 0.261061 0.261061 O\n0.261061 0.738939 0.738939 O\n0.738939 0.261061 0.738939 O\n0.261061 0.738939 0.261061 O\n0.738939 0.738939 0.261061 O\n0.261061 0.261061 0.738939 O\n",
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