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{
"id": "jvasp-92707",
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"structure_string": "Mn3 Cu1 N1\n1.0\n4.479827 -0.000000 -0.000000\n-0.000000 4.479827 -0.000000\n0.000000 0.000000 4.479827\nMn Cu N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 N\n",
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{
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"structure_string": "Ba1 Co2 Ge2\n1.0\n4.028813 -0.000000 -0.000000\n-0.000000 4.028813 -0.000000\n-2.014406 -2.014406 6.127393\nBa Co Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.249999 0.749999 0.500000 Co\n0.749999 0.249999 0.500000 Co\n0.654223 0.654223 0.308446 Ge\n0.345775 0.345775 0.691554 Ge\n",
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{
"id": "jvasp-9271",
"created_at": "2022-09-04T14:38:34.622715Z",
"updated_at": "2022-09-04T14:38:34.622750Z",
"structure_string": "Mn4 Zn4 O8\n1.0\n3.102173 -0.022635 -0.015211\n-0.318540 8.044949 0.104317\n-0.792623 -0.175622 8.365543\nMn Zn O\n4 4 8\ndirect\n0.951761 0.241887 0.414510 Mn\n0.701402 0.400953 0.770785 Mn\n0.274398 0.578960 0.201012 Mn\n0.023933 0.738046 0.557287 Mn\n0.328787 0.071942 0.726489 Zn\n0.647066 0.907975 0.245310 Zn\n0.729240 0.737208 0.872481 Zn\n0.246399 0.242681 0.099308 Zn\n0.477919 0.726083 0.404090 O\n0.790543 0.382547 0.211353 O\n0.185197 0.597369 0.760433 O\n0.497791 0.253848 0.567707 O\n0.171256 0.062628 0.255473 O\n0.219603 0.257348 0.873730 O\n0.804582 0.917292 0.716347 O\n0.756230 0.722570 0.098069 O\n",
"nsites": 16,
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"elements": [
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],
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"volume": 208.67792280671082,
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"formula_full": "Mn4 Zn4 O8",
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{
"id": "jvasp-92711",
"created_at": "2022-09-04T14:35:57.514746Z",
"updated_at": "2022-09-04T14:35:57.514767Z",
"structure_string": "Ba1 Zn2 Si2\n1.0\n4.552118 0.000000 -0.000000\n0.000000 4.552118 0.000000\n-2.276059 -2.276059 5.099229\nBa Zn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.620611 0.620611 0.241222 Si\n0.379389 0.379389 0.758778 Si\n",
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{
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"created_at": "2022-09-04T14:35:59.573821Z",
"updated_at": "2022-09-04T14:35:59.573850Z",
"structure_string": "U1 Ga3 Ni1\n1.0\n4.143435 -0.000000 0.000000\n-0.000000 4.143435 0.000000\n-2.071718 -2.071718 5.086571\nU Ga Ni\n1 3 1\ndirect\n0.993498 0.993498 0.986999 U\n0.409692 0.409692 0.819387 Ga\n0.746220 0.246221 0.492442 Ga\n0.246221 0.746220 0.492442 Ga\n0.634364 0.634364 0.268730 Ni\n",
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"density": 9.619669367580599,
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"formula_full": "U1 Ga3 Ni1",
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{
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"created_at": "2022-09-04T14:36:03.874577Z",
"updated_at": "2022-09-04T14:36:03.874599Z",
"structure_string": "Nd1 Si3 Rh1\n1.0\n4.274215 0.000000 0.000000\n0.000000 4.274215 0.000000\n-2.137108 -2.137108 4.924511\nNd Si Rh\n1 3 1\ndirect\n0.000101 0.000101 0.000202 Nd\n0.413987 0.413987 0.827973 Si\n0.762539 0.262539 0.525077 Si\n0.262539 0.762539 0.525077 Si\n0.654836 0.654836 0.309671 Rh\n",
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"volume": 89.96546729227754,
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"formula_full": "Nd1 Si3 Rh1",
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"formula_anonymous": "ABC3",
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"spacegroup": 107
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{
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"created_at": "2022-09-04T14:36:08.337776Z",
"updated_at": "2022-09-04T14:36:08.337805Z",
"structure_string": "Fe4 C1\n1.0\n0.000000 -0.000000 2.468654\n-3.034971 3.034971 1.234327\n-3.034971 -3.034971 1.234327\nFe C\n4 1\ndirect\n0.236201 0.189673 0.337925 Fe\n0.763800 0.810326 0.662074 Fe\n0.425875 0.337925 0.810326 Fe\n0.574126 0.662074 0.189673 Fe\n0.000000 0.000000 0.000000 C\n",
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{
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"created_at": "2022-09-04T14:36:10.885747Z",
"updated_at": "2022-09-04T14:36:10.885767Z",
"structure_string": "Rb2 Te2 Pd1\n1.0\n0.000000 0.000000 4.067807\n-5.336376 4.040892 2.033904\n-5.336376 -4.040892 2.033904\nRb Te Pd\n2 2 1\ndirect\n0.200157 0.299843 0.299843 Rb\n0.799842 0.700158 0.700158 Rb\n0.499999 0.217998 0.782003 Te\n0.499999 0.782003 0.217998 Te\n0.000000 0.000000 0.000000 Pd\n",
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"formula_full": "Rb2 Te2 Pd1",
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{
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"created_at": "2022-09-04T14:36:14.627036Z",
"updated_at": "2022-09-04T14:36:14.627062Z",
"structure_string": "Nd1 Si3 Ir1\n1.0\n4.289730 -0.000000 0.000000\n-0.000000 4.289730 0.000000\n-2.144865 -2.144865 4.934446\nNd Si Ir\n1 3 1\ndirect\n0.999293 0.999293 0.998589 Nd\n0.414047 0.414047 0.828095 Si\n0.763049 0.263049 0.526099 Si\n0.263049 0.763049 0.526099 Si\n0.654560 0.654560 0.309120 Ir\n",
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{
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"updated_at": "2022-09-04T14:36:21.045805Z",
"structure_string": "Ti2 H2 Pd1\n1.0\n-0.000000 -2.827940 0.000000\n-2.827968 -0.000000 0.000000\n1.413984 1.413971 -6.344326\nTi H Pd\n2 2 1\ndirect\n0.342071 0.342072 0.684141 Ti\n0.657929 0.657930 0.315859 Ti\n0.809916 0.809917 0.619833 H\n0.190085 0.190085 0.380168 H\n0.000000 0.000000 0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:38:34.741032Z",
"updated_at": "2022-09-04T14:38:34.741063Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n3.173096 0.272131 -0.043039\n0.790488 8.352687 -0.127499\n0.841637 0.006363 8.258038\nMg Mn O\n4 4 8\ndirect\n0.706741 0.936050 0.732680 Mg\n0.317530 0.084032 0.239123 Mg\n0.129999 0.282136 0.870792 Mg\n0.894236 0.737964 0.101001 Mg\n0.159213 0.776465 0.406907 Mn\n0.492591 0.623787 0.755024 Mn\n0.531628 0.396304 0.216777 Mn\n0.865005 0.243584 0.564888 Mn\n0.407405 0.247049 0.411779 O\n0.420615 0.634675 0.199893 O\n0.603635 0.385412 0.771897 O\n0.616821 0.773036 0.560021 O\n0.886968 0.939608 0.234236 O\n0.909832 0.745453 0.867721 O\n0.137300 0.080478 0.737563 O\n0.114401 0.274632 0.104076 O\n",
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}