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{
"id": "jvasp-47899",
"created_at": "2022-09-04T14:37:02.501715Z",
"updated_at": "2022-09-04T14:37:02.501739Z",
"structure_string": "Li7 Cr2 O8\n1.0\n5.138272 0.071039 0.041683\n1.948994 4.826513 0.052769\n1.031942 2.434762 7.280683\nLi Cr O\n7 2 8\ndirect\n0.763487 0.224010 0.010701 Li\n0.269164 0.230158 0.208566 Li\n0.713219 0.063359 0.453906 Li\n0.241326 0.950720 0.541768 Li\n0.801065 0.515973 0.565989 Li\n0.726046 0.772806 0.813176 Li\n0.220739 0.800337 -0.002467 Li\n0.295223 0.370839 0.767409 Cr\n0.702458 0.622462 0.226802 Cr\n0.557994 0.490716 0.787930 O\n0.844591 0.815084 0.028525 O\n0.496747 0.473920 0.161521 O\n0.945734 0.307149 0.382009 O\n0.545630 0.850323 0.364739 O\n0.433179 0.111003 0.655431 O\n0.026038 0.688059 0.638321 O\n0.163405 0.203186 0.980887 O\n",
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{
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"structure_string": "Li1 Ni1 O2\n1.0\n2.722500 0.458712 -4.618162\n-0.212358 3.346488 -4.207823\n-0.115234 -0.458712 5.359678\nLi Ni O\n1 1 2\ndirect\n0.271329 0.771331 0.500002 Li\n0.007536 0.507537 0.500000 Ni\n0.384289 0.384291 0.000001 O\n0.629846 0.629844 1.000002 O\n",
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{
"id": "jvasp-46166",
"created_at": "2022-09-04T14:38:07.889118Z",
"updated_at": "2022-09-04T14:38:07.889150Z",
"structure_string": "V2 Co2 O8\n1.0\n-3.851045 4.049242 0.048167\n3.851045 0.048167 4.049242\n3.851045 4.049242 0.048167\nV Co O\n2 2 8\ndirect\n0.128262 0.250000 0.121738 V\n0.871737 0.750001 0.878262 V\n0.500000 0.000001 0.499999 Co\n-0.000001 0.500000 0.500001 Co\n0.765251 0.021447 0.256195 O\n0.746231 0.473469 0.280301 O\n0.253769 0.973468 0.272763 O\n0.222358 0.478554 0.256196 O\n0.777641 0.521447 0.743804 O\n0.746231 0.026533 0.727237 O\n0.253769 0.526532 0.719699 O\n0.234749 0.978554 0.743805 O\n",
"nsites": 12,
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"elements": [
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],
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"volume": 126.26837704809112,
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"formula_full": "V2 Co2 O8",
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"formula_anonymous": "ABC4",
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"spacegroup": 74
},
{
"id": "jvasp-48309",
"created_at": "2022-09-04T14:37:02.764129Z",
"updated_at": "2022-09-04T14:37:02.764139Z",
"structure_string": "Li2 Ni3 Te1 O8\n1.0\n-5.082829 -1.285954 2.455010\n5.297370 -1.682370 2.667252\n3.324584 3.903525 2.688036\nLi Ni Te O\n2 3 1 8\ndirect\n0.500000 0.500000 0.500000 Li\n-0.000000 0.500000 -0.000000 Li\n0.500001 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Te\n0.746899 0.311339 0.253102 O\n0.771204 0.232518 0.756567 O\n0.243433 0.232518 0.228797 O\n0.753817 0.742898 0.246184 O\n0.246184 0.257102 0.753817 O\n0.756568 0.767482 0.771203 O\n0.228797 0.767482 0.243433 O\n0.253102 0.688661 0.746898 O\n",
"nsites": 14,
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"elements": [
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],
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"formula_full": "Li2 Ni3 Te1 O8",
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{
"id": "jvasp-74004",
"created_at": "2022-09-04T14:36:11.147739Z",
"updated_at": "2022-09-04T14:36:11.147750Z",
"structure_string": "Li1 Be1 Ni2\n1.0\n2.623710 0.000000 0.000000\n0.000000 2.623710 -0.000000\n0.000000 0.000000 6.113401\nLi Be Ni\n1 1 2\ndirect\n0.500000 0.500000 0.743589 Li\n0.000000 0.000000 0.462980 Be\n0.000000 0.000000 0.011697 Ni\n0.500000 0.500000 0.281733 Ni\n",
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"elements": [
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{
"id": "jvasp-45234",
"created_at": "2022-09-04T14:38:10.075888Z",
"updated_at": "2022-09-04T14:38:10.075914Z",
"structure_string": "Li2 Cr3 Sn1 O8\n1.0\n5.889768 -0.044230 -0.031275\n2.906581 5.122804 -0.031275\n2.906581 1.678115 4.840250\nLi Cr Sn O\n2 3 1 8\ndirect\n0.122261 0.122261 0.122261 Li\n0.497540 0.497540 0.497538 Li\n0.016975 0.497388 0.497388 Cr\n0.497388 0.016976 0.497388 Cr\n0.497389 0.497388 0.016974 Cr\n0.885944 0.885944 0.885941 Sn\n0.261928 0.261928 0.261927 O\n0.246359 0.246360 0.714733 O\n0.246360 0.714734 0.246358 O\n0.714734 0.246360 0.246358 O\n0.292734 0.738620 0.738619 O\n0.738620 0.292734 0.738619 O\n0.738620 0.738620 0.292732 O\n0.743157 0.743157 0.743155 O\n",
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"density_atomic": 0.09505112348705104,
"volume": 147.2891585748299,
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"formula_full": "Li2 Cr3 Sn1 O8",
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"formula_anonymous": "AB2C3D8",
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"spacegroup": 160
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{
"id": "jvasp-116260",
"created_at": "2022-09-04T14:38:40.941357Z",
"updated_at": "2022-09-04T14:38:40.941387Z",
"structure_string": "Mg1 Al1 O3\n1.0\n2.645249 -2.667361 0.096325\n2.645249 2.667361 0.096325\n-0.593291 0.000000 3.705832\nMg Al O\n1 1 3\ndirect\n0.490963 0.490963 0.674582 Mg\n0.027625 0.027625 0.951294 Al\n0.527376 0.018572 0.910105 O\n0.018572 0.527376 0.910105 O\n0.048823 0.048823 0.440558 O\n",
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"spacegroup": 8
},
{
"id": "jvasp-62555",
"created_at": "2022-09-04T14:35:57.664940Z",
"updated_at": "2022-09-04T14:35:57.664973Z",
"structure_string": "Tb4 Re4 B16\n1.0\n3.647255 0.000000 0.000000\n0.000000 5.981957 -0.000000\n0.000000 0.000000 11.572213\nTb Re B\n4 4 16\ndirect\n0.000000 0.125954 0.849782 Tb\n0.000000 0.874046 0.150218 Tb\n0.000000 0.374046 0.349782 Tb\n0.000000 0.625954 0.650218 Tb\n0.000000 0.133051 0.587668 Re\n0.000000 0.866949 0.412332 Re\n0.000000 0.366949 0.087668 Re\n0.000000 0.633052 0.912332 Re\n0.499999 0.523929 0.191883 B\n0.499999 0.476072 0.808117 B\n0.499999 0.886342 0.547121 B\n0.499999 0.113658 0.452879 B\n0.499999 0.613658 0.047121 B\n0.499999 0.386342 0.952879 B\n0.499999 0.863245 0.968772 B\n0.499999 0.786816 0.815180 B\n0.499999 0.636756 0.468773 B\n0.499999 0.363245 0.531227 B\n0.499999 0.023928 0.308117 B\n0.499999 0.213185 0.184819 B\n0.499999 0.713185 0.315180 B\n0.499999 0.286816 0.684819 B\n0.499999 0.136756 0.031227 B\n0.499999 0.976072 0.691883 B\n",
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"volume": 252.47933284793012,
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"formula_full": "Tb4 Re4 B16",
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{
"id": "jvasp-34291",
"created_at": "2022-09-04T14:37:13.415396Z",
"updated_at": "2022-09-04T14:37:13.415427Z",
"structure_string": "Si4 O8\n1.0\n0.000000 4.304160 0.011656\n4.268538 0.000000 0.000000\n0.000000 -4.209095 -6.882113\nSi O\n4 8\ndirect\n0.305855 0.124101 0.880652 Si\n0.016182 0.538715 0.003894 Si\n0.016181 0.461285 0.503893 Si\n0.305856 0.875899 0.380652 Si\n0.980797 0.246210 0.660023 O\n0.340897 0.723954 0.579579 O\n0.340898 0.276046 0.079579 O\n0.661292 0.704977 0.389257 O\n0.142339 0.773389 0.881783 O\n0.142340 0.226611 0.381783 O\n0.980798 0.753790 0.160023 O\n0.661291 0.295024 0.889257 O\n",
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"volume": 126.23199854974968,
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"formula_full": "Si4 O8",
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{
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"created_at": "2022-09-04T14:38:01.042848Z",
"updated_at": "2022-09-04T14:38:01.042873Z",
"structure_string": "Mg4 Co2 O8\n1.0\n-0.000000 4.191373 4.191373\n4.191373 -0.000000 4.191373\n4.191373 4.191373 -0.000000\nMg Co O\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.125000 0.125000 0.125000 Co\n0.874999 0.874999 0.874999 Co\n0.251806 0.251806 0.251806 O\n0.744580 0.251806 0.251806 O\n0.748193 0.748193 0.255419 O\n0.748193 0.255419 0.748193 O\n0.251806 0.744580 0.251806 O\n0.251806 0.251806 0.744580 O\n0.255419 0.748193 0.748193 O\n0.748193 0.748193 0.748193 O\n",
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{
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"created_at": "2022-09-04T14:36:20.021680Z",
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"structure_string": "Si4 O8\n1.0\n4.300199 -0.012187 -0.186557\n0.012530 4.268905 0.005724\n0.372337 -0.010157 6.859759\nSi O\n4 8\ndirect\n0.795265 0.961284 0.063019 Si\n0.708199 0.624079 0.439812 Si\n0.295295 0.038721 0.563014 Si\n0.208139 0.375906 0.939787 Si\n0.103688 0.253778 0.719113 O\n0.554970 0.205002 -0.051613 O\n0.043500 0.726595 -0.059078 O\n0.544343 -0.223934 0.638743 O\n0.603726 0.746236 0.219143 O\n0.543560 0.273397 0.440933 O\n0.044302 0.223935 0.138726 O\n0.055020 -0.205007 0.448396 O\n",
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"formula_full": "Si4 O8",
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{
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"created_at": "2022-09-04T14:36:57.123588Z",
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"structure_string": "Zn2 Cu4 O8\n1.0\n5.247204 0.000000 -2.754850\n-1.446331 5.043937 -2.754850\n-0.241686 -0.320728 5.914299\nZn Cu O\n2 4 8\ndirect\n0.374999 0.625000 0.750000 Zn\n0.624999 0.375000 0.250000 Zn\n-0.000000 -0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.499999 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.761001 0.782885 0.522005 O\n0.760877 0.238997 0.977994 O\n0.217114 0.238997 0.977994 O\n0.238997 0.217115 0.477994 O\n0.238997 0.760879 0.477994 O\n0.239121 0.761003 0.022006 O\n0.761001 0.239121 0.522005 O\n0.782884 0.761003 0.022006 O\n",
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"spacegroup": 227
}
]
}