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{
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{
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"structure_string": "Mg2 Se2 O8\n1.0\n4.947814 0.005498 -0.000000\n-1.903113 4.567171 0.000000\n0.000000 0.000000 6.518990\nMg Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.353265 0.646735 0.750000 Se\n0.646735 0.353265 0.250000 Se\n0.225954 0.276336 0.750000 O\n0.774046 0.723664 0.250000 O\n0.276336 0.225954 0.250000 O\n0.723664 0.774046 0.750000 O\n0.245881 0.754119 0.963032 O\n0.754119 0.245881 0.463032 O\n0.754119 0.245881 0.036968 O\n0.245881 0.754119 0.536968 O\n",
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{
"id": "jvasp-18671",
"created_at": "2022-09-04T14:36:44.577365Z",
"updated_at": "2022-09-04T14:36:44.577393Z",
"structure_string": "Th2 Co2\n1.0\n3.534330 -0.000000 -1.214926\n-0.000000 4.016918 0.000000\n0.051075 0.000000 5.896888\nTh Co\n2 2\ndirect\n0.866205 0.250000 0.732411 Th\n0.133794 0.750000 0.267589 Th\n0.592716 0.250000 0.185433 Co\n0.407282 0.750000 0.814566 Co\n",
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"volume": 83.96804915539647,
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{
"id": "jvasp-16160",
"created_at": "2022-09-04T14:36:39.452824Z",
"updated_at": "2022-09-04T14:36:39.452835Z",
"structure_string": "Nd2 Mn2 Si4\n1.0\n4.001040 -0.000000 0.000000\n0.000000 3.981772 -0.927521\n-0.000000 0.009411 9.050879\nNd Mn Si\n2 2 4\ndirect\n0.250000 0.898071 0.796144 Nd\n0.750000 0.101928 0.203856 Nd\n0.750000 0.750132 0.500267 Mn\n0.250000 0.249867 0.499733 Mn\n0.250000 0.679315 0.358631 Si\n0.750000 0.320685 0.641369 Si\n0.750000 0.463112 0.926225 Si\n0.250000 0.536887 0.073775 Si\n",
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"formula_full": "Nd2 Mn2 Si4",
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"spacegroup": 63
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{
"id": "jvasp-4828",
"created_at": "2022-09-04T14:36:39.763833Z",
"updated_at": "2022-09-04T14:36:39.763858Z",
"structure_string": "Al2 P2 O8\n1.0\n4.592927 -0.045602 -0.000000\n-1.668114 4.279539 0.000000\n-0.000000 -0.000000 6.028755\nAl P O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.347988 0.652013 0.750001 P\n0.652014 0.347988 0.250000 P\n0.762544 0.237457 0.458889 O\n0.237458 0.762544 0.958889 O\n0.237458 0.762544 0.541112 O\n0.762544 0.237457 0.041112 O\n0.220108 0.280874 0.750001 O\n0.779895 0.719127 0.250000 O\n0.280874 0.220108 0.250000 O\n0.719127 0.779894 0.750001 O\n",
"nsites": 12,
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"elements": [
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"formula_full": "Al2 P2 O8",
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{
"id": "jvasp-31620",
"created_at": "2022-09-04T14:36:39.611354Z",
"updated_at": "2022-09-04T14:36:39.611374Z",
"structure_string": "Nb6 B6 C2\n1.0\n3.144394 0.000000 0.000000\n0.000000 3.277465 -0.372690\n0.000000 -0.003363 14.567899\nNb B C\n6 6 2\ndirect\n0.250000 0.453246 0.906492 Nb\n0.749999 0.546754 0.093508 Nb\n0.250000 0.787309 0.574619 Nb\n0.749999 0.212690 0.425381 Nb\n0.749999 0.362085 0.724170 Nb\n0.250000 0.637914 0.275830 Nb\n0.250000 0.015426 0.030852 B\n0.749999 0.984573 0.969148 B\n0.250000 0.888401 0.776803 B\n0.749999 0.111598 0.223197 B\n0.250000 0.078841 0.157683 B\n0.749999 0.921158 0.842317 B\n0.250000 0.712163 0.424326 C\n0.749999 0.287836 0.575674 C\n",
"nsites": 14,
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"volume": 150.12760026833377,
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"formula_full": "Nb6 B6 C2",
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{
"id": "jvasp-101436",
"created_at": "2022-09-04T14:36:39.658398Z",
"updated_at": "2022-09-04T14:36:39.658420Z",
"structure_string": "Th2 Si2 Os4 C2\n1.0\n5.999283 -0.012831 -0.000000\n-4.661218 3.776849 0.000000\n-0.000000 0.000000 7.208812\nTh Si Os C\n2 2 4 2\ndirect\n0.553560 0.446440 0.250000 Th\n0.446440 0.553560 0.750000 Th\n0.272764 0.727237 0.250000 Si\n0.727236 0.272764 0.750000 Si\n0.835206 0.164794 0.055749 Os\n0.164794 0.835206 0.944250 Os\n0.164794 0.835206 0.555749 Os\n0.835206 0.164794 0.444251 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"elements": [
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"density_atomic": 0.06138400064577108,
"volume": 162.90889962853748,
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"formula_full": "Th2 Si2 Os4 C2",
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"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-79474",
"created_at": "2022-09-04T14:36:40.042581Z",
"updated_at": "2022-09-04T14:36:40.042607Z",
"structure_string": "Ce2 Ga2\n1.0\n0.000000 -0.000000 4.072217\n4.336487 -0.000000 0.000000\n-2.168244 5.554882 -0.000000\nCe Ga\n2 2\ndirect\n0.250000 0.145786 0.291571 Ce\n0.750001 0.854216 0.708428 Ce\n0.250000 0.427020 0.854037 Ga\n0.750001 0.572981 0.145963 Ga\n",
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{
"id": "jvasp-7651",
"created_at": "2022-09-04T14:36:40.054265Z",
"updated_at": "2022-09-04T14:36:40.054286Z",
"structure_string": "K4 Cu2 Sb2\n1.0\n6.236232 0.000000 -0.000000\n0.000000 6.298375 -1.797228\n0.000000 -0.005598 6.549773\nK Cu Sb\n4 2 2\ndirect\n0.250000 0.012920 0.674545 K\n0.750000 0.987081 0.325455 K\n0.750000 0.325455 0.987080 K\n0.250000 0.674545 0.012920 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.250000 0.246712 0.246712 Sb\n0.750000 0.753288 0.753287 Sb\n",
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{
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"created_at": "2022-09-04T14:36:40.436700Z",
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"structure_string": "Rb2 O2\n1.0\n5.484348 0.023553 -0.000000\n-4.123981 3.615440 0.000000\n0.000000 -0.000000 4.179285\nRb O\n2 2\ndirect\n0.630183 0.369816 0.250000 Rb\n0.369817 0.630183 0.749999 Rb\n0.919763 0.080236 0.250000 O\n0.080237 0.919763 0.749999 O\n",
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{
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"structure_string": "K4 Sb2 Au2\n1.0\n6.516438 0.012822 0.000000\n-1.808809 6.260378 0.000000\n-0.000000 -0.000000 6.549123\nK Sb Au\n4 2 2\ndirect\n0.840586 0.496938 0.750000 K\n0.503062 0.159414 0.250000 K\n0.496938 0.840586 0.750000 K\n0.159414 0.503062 0.250000 K\n0.726688 0.726688 0.250000 Sb\n0.273312 0.273312 0.750000 Sb\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
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{
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"structure_string": "Sn2 S2\n1.0\n3.549003 0.000000 -1.276157\n0.000000 5.788096 -0.000000\n0.118811 -0.000000 5.903394\nSn S\n2 2\ndirect\n0.851231 0.250000 0.702463 Sn\n0.148768 0.750000 0.297535 Sn\n0.189161 0.250000 0.378322 S\n0.810838 0.750000 0.621676 S\n",
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}