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{
"id": "jvasp-93232",
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{
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{
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"elements": [
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"formula_full": "Mn6 O4 F8",
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{
"id": "jvasp-18435",
"created_at": "2022-09-04T14:36:46.877325Z",
"updated_at": "2022-09-04T14:36:46.877349Z",
"structure_string": "Cu1 C1 O3\n1.0\n3.038920 -0.393160 -0.042307\n-0.084599 4.319073 1.741489\n-0.543089 0.467358 4.602279\nCu C O\n1 1 3\ndirect\n0.463330 0.434887 0.434887 Cu\n0.110540 0.021804 0.021804 C\n0.385659 0.155040 0.155040 O\n0.977735 0.171108 0.707159 O\n0.977735 0.707160 0.171108 O\n",
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"formula_full": "Cu1 C1 O3",
"formula_reduced": "CuCO3",
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},
{
"id": "jvasp-95057",
"created_at": "2022-09-04T14:36:21.012511Z",
"updated_at": "2022-09-04T14:36:21.012529Z",
"structure_string": "Fe4 Ni2\n1.0\n-3.265815 -3.265815 -0.000000\n-3.265815 0.000000 -3.265815\n0.000000 -3.265815 -3.265815\nFe Ni\n4 2\ndirect\n0.874999 0.374999 0.374999 Fe\n0.374999 0.874999 0.374999 Fe\n0.374999 0.374999 0.874999 Fe\n0.374999 0.374999 0.374999 Fe\n0.749999 0.749999 0.749999 Ni\n0.000000 0.000000 0.000000 Ni\n",
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"elements": [
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"volume": 69.66341076350044,
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{
"id": "jvasp-5317",
"created_at": "2022-09-04T14:37:07.995520Z",
"updated_at": "2022-09-04T14:37:07.995558Z",
"structure_string": "Cu1 C1 O3\n1.0\n3.038860 -0.393096 -0.042230\n-0.084474 4.319007 1.741315\n-0.542975 0.467193 4.602179\nCu C O\n1 1 3\ndirect\n0.463333 0.434879 0.434880 Cu\n0.110538 0.021807 0.021807 C\n0.385619 0.155053 0.155054 O\n0.977757 0.171094 0.707166 O\n0.977757 0.707164 0.171096 O\n",
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"volume": 58.05221906185421,
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{
"id": "jvasp-79770",
"created_at": "2022-09-04T14:36:45.825611Z",
"updated_at": "2022-09-04T14:36:45.825631Z",
"structure_string": "Tm1 Co1 C2\n1.0\n3.465353 0.000000 0.000000\n0.000000 3.586252 -1.045493\n0.000000 0.004342 3.735538\nTm Co C\n1 1 2\ndirect\n0.000000 0.991716 0.008284 Tm\n0.499999 0.610290 0.389710 Co\n0.499999 0.451723 0.853931 C\n0.499999 0.146069 0.548276 C\n",
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"formula_full": "Tm1 Co1 C2",
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"spacegroup": 38
},
{
"id": "jvasp-35061",
"created_at": "2022-09-04T14:37:39.582935Z",
"updated_at": "2022-09-04T14:37:39.582956Z",
"structure_string": "Si2 C4\n1.0\n3.178235 0.000000 0.000000\n-0.000000 3.178235 0.000000\n0.000000 0.000000 6.896090\nSi C\n2 4\ndirect\n0.000000 0.000000 0.750000 Si\n0.000000 0.000000 0.250000 Si\n0.000000 0.499999 0.401138 C\n0.499999 0.000000 0.901138 C\n0.000000 0.499999 0.598862 C\n0.499999 0.000000 0.098862 C\n",
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"elements": [
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"volume": 69.65863063018597,
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"formula_full": "Si2 C4",
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},
{
"id": "jvasp-35890",
"created_at": "2022-09-04T14:37:29.349422Z",
"updated_at": "2022-09-04T14:37:29.349437Z",
"structure_string": "Hf2 N4\n1.0\n1.625109 -2.814772 -0.000000\n1.625109 2.814772 -0.000000\n0.000000 0.000000 7.614065\nHf N\n2 4\ndirect\n0.666667 0.333333 0.250000 Hf\n0.333333 0.666667 0.750000 Hf\n0.000000 0.000000 0.405916 N\n0.000000 0.000000 0.594083 N\n0.000000 0.000000 0.905916 N\n0.000000 0.000000 0.094084 N\n",
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{
"id": "jvasp-79647",
"created_at": "2022-09-04T14:37:09.093957Z",
"updated_at": "2022-09-04T14:37:09.093978Z",
"structure_string": "Mn1 Ga1 Co2\n1.0\n-2.852868 -2.852868 -0.000000\n-2.852868 0.000000 -2.852868\n-0.000000 -2.852868 -2.852868\nMn Ga Co\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n",
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"formula_full": "Mn1 Ga1 Co2",
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},
{
"id": "jvasp-43117",
"created_at": "2022-09-04T14:35:56.628150Z",
"updated_at": "2022-09-04T14:35:56.628175Z",
"structure_string": "Mn3 Cr2 Sb3 O16\n1.0\n6.050181 0.027054 0.038028\n-3.001662 5.199077 -0.000013\n0.055950 0.032304 8.835247\nMn Cr Sb O\n3 2 3 16\ndirect\n0.660847 0.830431 0.214491 Mn\n0.826798 0.661613 0.708986 Mn\n0.826795 0.165198 0.708987 Mn\n0.342179 0.671098 0.497254 Cr\n0.684248 0.342133 0.981261 Cr\n0.163325 0.830491 0.209588 Sb\n0.163324 0.332850 0.209589 Sb\n0.328339 0.164176 0.708442 Sb\n0.831357 0.668223 0.104204 O\n0.676308 0.338162 0.597647 O\n0.537343 0.049742 0.840884 O\n0.537346 0.487616 0.840882 O\n0.669986 0.835002 0.601273 O\n0.336064 0.168046 0.093739 O\n0.477917 0.526405 0.339470 O\n0.012206 0.006106 0.329801 O\n0.160521 0.336068 0.601694 O\n0.982437 0.991225 0.815152 O\n0.950610 0.475314 0.831954 O\n0.317511 0.658768 0.084196 O\n0.044736 0.522372 0.350871 O\n0.160523 0.824469 0.601695 O\n0.477921 0.951533 0.339467 O\n0.831356 0.163152 0.104205 O\n",
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"formula_full": "Mn3 Cr2 Sb3 O16",
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{
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"structure_string": "Co2 F4\n1.0\n4.664021 -0.000000 0.000000\n0.000000 4.664021 0.000000\n0.000000 0.000000 3.201995\nCo F\n2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500001 Co\n0.302354 0.302354 0.000000 F\n0.697646 0.697646 0.000000 F\n0.802354 0.197646 0.500001 F\n0.197646 0.802354 0.500001 F\n",
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