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{
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{
"id": "jvasp-10095",
"created_at": "2022-09-04T14:37:03.768992Z",
"updated_at": "2022-09-04T14:37:03.769010Z",
"structure_string": "Lu2 Si2 O7\n1.0\n4.713281 -0.001575 -0.601092\n-0.899822 5.288717 -1.448088\n-0.008254 0.002137 5.556716\nLu Si O\n2 2 7\ndirect\n0.000001 0.307566 0.692435 Lu\n1.000001 0.692436 0.307566 Lu\n0.411380 0.221705 0.221705 Si\n0.588622 0.778297 0.778297 Si\n0.781282 0.916091 0.609473 O\n0.218719 0.390529 0.083910 O\n0.218719 0.083911 0.390529 O\n0.781282 0.609473 0.916091 O\n0.500000 0.000000 0.000000 O\n0.281834 0.613133 0.613132 O\n0.718167 0.386869 0.386869 O\n",
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{
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{
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"updated_at": "2022-09-04T14:38:08.691688Z",
"structure_string": "Li4 Cr2 O8\n1.0\n5.071998 0.000000 0.000000\n0.000000 5.234623 0.000000\n0.000000 0.000000 6.638844\nLi Cr O\n4 2 8\ndirect\n0.005227 0.675989 0.248567 Li\n0.505228 0.324011 0.251433 Li\n0.505228 0.324011 0.748567 Li\n0.005227 0.675989 0.751432 Li\n0.999002 0.181016 0.000000 Cr\n0.499002 0.818983 0.500000 Cr\n0.069857 0.870773 0.000000 O\n0.674363 0.224013 0.000000 O\n0.123211 0.320705 0.203415 O\n0.623211 0.679295 0.296584 O\n0.174363 0.775986 0.500000 O\n0.569857 0.129227 0.500000 O\n0.623211 0.679295 0.703415 O\n0.123211 0.320705 0.796584 O\n",
"nsites": 14,
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],
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"volume": 176.26129085106746,
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"formula_full": "Li4 Cr2 O8",
"formula_reduced": "Li2CrO4",
"formula_anonymous": "AB2C4",
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"spacegroup": 31
},
{
"id": "jvasp-92508",
"created_at": "2022-09-04T14:35:50.481544Z",
"updated_at": "2022-09-04T14:35:50.481571Z",
"structure_string": "Y1 W1 O3\n1.0\n3.978116 0.000000 0.000000\n0.000000 3.976657 -0.101737\n0.000000 0.101666 3.976658\nY W O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500002 0.500001 0.499999 W\n0.500002 0.499999 0.000001 O\n0.500002 0.000002 0.500001 O\n0.000000 0.500001 0.499999 O\n",
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"elements": [
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"volume": 62.950296608312414,
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"formula_full": "Y1 W1 O3",
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},
{
"id": "jvasp-71607",
"created_at": "2022-09-04T14:36:14.081832Z",
"updated_at": "2022-09-04T14:36:14.081848Z",
"structure_string": "Mg1 Be1 Cu2\n1.0\n-1.804609 1.804609 3.865961\n1.804609 -1.804609 3.865961\n1.804609 1.804609 -3.865961\nMg Be Cu\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n",
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"spacegroup": 119
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{
"id": "jvasp-85252",
"created_at": "2022-09-04T14:37:16.363657Z",
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"structure_string": "Tb2 Fe17\n1.0\n6.208488 0.035807 0.801177\n0.708975 6.167977 0.801177\n0.039925 0.035807 6.259841\nTb Fe\n2 17\ndirect\n0.655654 0.655655 0.655654 Tb\n0.344346 0.344347 0.344346 Tb\n0.295676 0.704323 0.000000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.846779 0.336502 0.336502 Fe\n0.336501 0.846780 0.336502 Fe\n0.663498 0.663500 0.153221 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.295678 0.704323 Fe\n0.336502 0.336502 0.846779 Fe\n0.295678 0.000001 0.704323 Fe\n-0.000000 0.704323 0.295677 Fe\n0.704323 0.295678 0.000000 Fe\n0.704323 0.000001 0.295677 Fe\n0.909537 0.909538 0.909538 Fe\n0.663499 0.153222 0.663499 Fe\n0.090463 0.090463 0.090463 Fe\n0.500000 0.000000 0.000000 Fe\n0.153221 0.663500 0.663499 Fe\n",
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{
"id": "jvasp-105948",
"created_at": "2022-09-04T14:36:15.534779Z",
"updated_at": "2022-09-04T14:36:15.534799Z",
"structure_string": "Zr1 Nb1 B2\n1.0\n4.906729 -0.000427 0.000000\n-3.707659 3.213914 0.000000\n0.000000 0.000000 3.193480\nZr Nb B\n1 1 2\ndirect\n0.851235 0.148764 0.000000 Zr\n0.139252 0.860745 0.500000 Nb\n0.452647 0.547351 0.500000 B\n0.556864 0.443134 0.000000 B\n",
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"formula_full": "Zr1 Nb1 B2",
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"formula_anonymous": "ABC2",
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"spacegroup": 38
},
{
"id": "jvasp-68633",
"created_at": "2022-09-04T14:35:58.584170Z",
"updated_at": "2022-09-04T14:35:58.584196Z",
"structure_string": "Be2 Zn1 Ga1\n1.0\n3.233164 -0.000000 -0.000000\n-0.000000 3.233164 -0.000000\n0.000000 0.000000 4.817104\nBe Zn Ga\n2 1 1\ndirect\n-0.000000 -0.000000 0.750339 Be\n-0.000000 -0.000000 0.249660 Be\n0.499999 0.499999 0.500000 Zn\n0.499999 0.499999 0.000000 Ga\n",
"nsites": 4,
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"Zn",
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],
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"formula_full": "Be2 Zn1 Ga1",
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"spacegroup": 123
},
{
"id": "jvasp-101703",
"created_at": "2022-09-04T14:36:37.473090Z",
"updated_at": "2022-09-04T14:36:37.473114Z",
"structure_string": "Na1 N1 O3\n1.0\n3.965031 0.004349 0.977564\n0.766842 3.890173 0.977564\n0.005284 0.004349 4.083758\nNa N O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.500000 0.499999 N\n0.247722 0.500000 0.752277 O\n0.752276 0.247723 0.499999 O\n0.499999 0.752277 0.247722 O\n",
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"spacegroup": 155
},
{
"id": "jvasp-27495",
"created_at": "2022-09-04T14:38:13.921714Z",
"updated_at": "2022-09-04T14:38:13.921742Z",
"structure_string": "Ca3 Ta1 Ga3 Si2 O14\n1.0\n4.081529 -7.069415 -0.000000\n4.081529 7.069415 0.000000\n0.000000 -0.000000 5.017090\nCa Ta Ga Si O\n3 1 3 2 14\ndirect\n0.576139 0.000000 0.000000 Ca\n0.423861 0.423861 0.000000 Ca\n0.000000 0.576139 0.000000 Ca\n0.000000 0.000000 0.000000 Ta\n0.744984 0.744984 0.500000 Ga\n0.000000 0.255016 0.500000 Ga\n0.255016 0.000000 0.500000 Ga\n0.333333 0.666667 0.448723 Si\n0.666667 0.333333 0.551276 Si\n0.677665 0.523133 0.692497 O\n0.666667 0.333333 0.229714 O\n0.333333 0.666667 0.770286 O\n0.322336 0.845469 0.307503 O\n0.154532 0.476867 0.307503 O\n0.523133 0.677665 0.307503 O\n0.083460 0.857878 0.764243 O\n0.857878 0.083460 0.235757 O\n0.225582 0.142122 0.235757 O\n0.845469 0.322336 0.692497 O\n0.142122 0.225582 0.764243 O\n0.774418 0.916540 0.764243 O\n0.916540 0.774418 0.235757 O\n0.476867 0.154532 0.692497 O\n",
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{
"id": "jvasp-54882",
"created_at": "2022-09-04T14:37:14.783088Z",
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"structure_string": "Tb2 Fe17\n1.0\n6.208269 0.036009 0.801378\n0.709152 6.167738 0.801378\n0.040151 0.036009 6.259648\nTb Fe\n2 17\ndirect\n0.655674 0.655674 0.655674 Tb\n0.344326 0.344326 0.344326 Tb\n0.295623 0.704377 0.000000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.846777 0.336521 0.336521 Fe\n0.336520 0.846777 0.336521 Fe\n0.663479 0.663480 0.153224 Fe\n-0.000000 0.000000 0.500000 Fe\n-0.000000 0.295623 0.704377 Fe\n0.336520 0.336521 0.846777 Fe\n0.295623 0.000000 0.704377 Fe\n-0.000000 0.704377 0.295623 Fe\n0.704377 0.295623 0.000000 Fe\n0.704377 0.000000 0.295623 Fe\n0.909528 0.909529 0.909529 Fe\n0.663479 0.153224 0.663480 Fe\n0.090472 0.090472 0.090472 Fe\n0.500000 0.000000 0.000000 Fe\n0.153223 0.663480 0.663480 Fe\n",
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{
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"structure_string": "Co2 S2\n1.0\n1.679052 -2.908202 0.000000\n1.679052 2.908202 0.000000\n0.000000 -0.000000 5.155706\nCo S\n2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.333333 0.666666 0.250000 S\n0.666666 0.333333 0.750001 S\n",
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}