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{
"id": "jvasp-37363",
"created_at": "2022-09-04T14:37:58.401204Z",
"updated_at": "2022-09-04T14:37:58.401223Z",
"structure_string": "Tm1 Mn1 Rh2\n1.0\n0.000010 3.206089 3.206122\n3.206144 0.000000 3.206133\n3.206169 3.206125 -0.000027\nTm Mn Rh\n1 1 2\ndirect\n0.749998 0.749998 0.750001 Tm\n0.250001 0.249999 0.250000 Mn\n0.000003 0.999997 -0.000001 Rh\n0.499997 0.499999 0.500001 Rh\n",
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{
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"structure_string": "Tm2 Mn1 Os1\n1.0\n-0.000000 3.398856 3.398856\n3.398856 -0.000000 3.398856\n3.398856 3.398856 -0.000000\nTm Mn Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.250001 0.250001 0.250001 Mn\n0.750002 0.750002 0.750002 Os\n",
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{
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"structure_string": "Tm4 Mn4 O14\n1.0\n-0.000000 4.930425 4.930425\n4.930425 0.000000 4.930425\n4.930425 4.930425 0.000000\nTm Mn O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.919560 0.330441 0.919560 O\n0.625001 0.625001 0.625001 O\n0.330441 0.330441 0.919560 O\n0.919560 0.919560 0.330441 O\n0.330441 0.919560 0.330441 O\n0.080441 0.669560 0.080441 O\n0.080441 0.080441 0.669560 O\n0.375000 0.375000 0.375000 O\n0.669560 0.669560 0.080441 O\n0.080441 0.669560 0.669560 O\n0.919560 0.330441 0.330441 O\n0.669560 0.080441 0.080441 O\n0.669560 0.080441 0.669560 O\n0.330441 0.919560 0.919560 O\n",
"nsites": 22,
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"elements": [
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"volume": 239.70829683804098,
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"formula_full": "Tm4 Mn4 O14",
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"formula_anonymous": "A2B2C7",
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{
"id": "jvasp-89494",
"created_at": "2022-09-04T14:35:45.835212Z",
"updated_at": "2022-09-04T14:35:45.835238Z",
"structure_string": "Tm6 Mn6 O18\n1.0\n6.077632 0.000000 0.000000\n-3.038817 5.263384 0.000000\n0.000000 0.000000 11.415452\nTm Mn O\n6 6 18\ndirect\n0.666666 0.333333 0.727558 Tm\n0.000000 0.000000 0.773282 Tm\n0.333332 0.666667 0.227558 Tm\n0.666666 0.333333 0.227558 Tm\n0.000000 0.000000 0.273282 Tm\n0.333332 0.666667 0.727558 Tm\n0.333502 0.333503 0.497198 Mn\n0.666497 -0.000000 0.497198 Mn\n0.333503 -0.000000 0.997198 Mn\n-0.000000 0.333503 0.997198 Mn\n0.666496 0.666497 0.997198 Mn\n-0.000001 0.666497 0.497198 Mn\n0.304821 0.304821 0.661983 O\n0.638631 -0.000000 0.332772 O\n-0.000001 0.695178 0.661983 O\n0.333332 0.666667 0.017925 O\n0.304822 -0.000000 0.161983 O\n0.000000 0.000000 0.972890 O\n0.695177 0.695178 0.161983 O\n-0.000001 0.638631 0.332772 O\n0.361368 -0.000000 0.832772 O\n-0.000000 0.304821 0.161983 O\n0.333332 0.666667 0.517924 O\n-0.000000 0.361368 0.832772 O\n0.695178 -0.000000 0.661983 O\n0.000000 0.000000 0.472890 O\n0.638631 0.638631 0.832772 O\n0.666666 0.333333 0.517924 O\n0.361368 0.361368 0.332772 O\n0.666666 0.333333 0.017925 O\n",
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"volume": 365.16787835742764,
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"formula_full": "Tm6 Mn6 O18",
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"spacegroup": 185
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{
"id": "jvasp-104911",
"created_at": "2022-09-04T14:36:44.797622Z",
"updated_at": "2022-09-04T14:36:44.797645Z",
"structure_string": "Tm1 Mn1 In1\n1.0\n4.704067 0.000000 0.000000\n-2.352034 4.073841 0.000000\n-0.000000 -0.000000 3.436297\nTm Mn In\n1 1 1\ndirect\n0.666667 0.333333 -0.000000 Tm\n0.000000 0.000000 0.500000 Mn\n0.333334 0.666666 0.500000 In\n",
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"density": 8.540504622543775,
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"volume": 65.85189339042867,
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"formula_full": "Tm1 Mn1 In1",
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"spacegroup": 187
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{
"id": "jvasp-21074",
"created_at": "2022-09-04T14:38:31.203496Z",
"updated_at": "2022-09-04T14:38:31.203522Z",
"structure_string": "Tm1 Mn6 Ge6\n1.0\n2.583817 -4.475303 0.000000\n2.583817 4.475303 -0.000000\n0.000000 0.000000 8.108955\nTm Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.250409 Mn\n0.500001 0.500001 0.749592 Mn\n0.500000 0.000000 0.749592 Mn\n0.000000 0.500000 0.749592 Mn\n0.500001 0.500001 0.250409 Mn\n0.500000 0.000000 0.250409 Mn\n0.000000 0.000000 0.342443 Ge\n0.333334 0.666667 0.500000 Ge\n0.666667 0.333334 0.500000 Ge\n0.333334 0.666667 0.000000 Ge\n0.666667 0.333334 0.000000 Ge\n0.000000 0.000000 0.657557 Ge\n",
"nsites": 13,
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"elements": [
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"chemical_system": "Ge-Mn-Tm",
"density": 8.273780557237542,
"density_atomic": 0.06932091243521829,
"volume": 187.5335961878567,
"volume_molar": 8.687336257479018,
"formula_full": "Tm1 Mn6 Ge6",
"formula_reduced": "Tm(MnGe)6",
"formula_anonymous": "AB6C6",
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"spacegroup": 191
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{
"id": "jvasp-16634",
"created_at": "2022-09-04T14:37:50.910451Z",
"updated_at": "2022-09-04T14:37:50.910473Z",
"structure_string": "Tm3 Mn3 Ge3\n1.0\n3.401533 -5.891627 -0.000000\n3.401533 5.891627 0.000000\n-0.000000 0.000000 4.052663\nTm Mn Ge\n3 3 3\ndirect\n-0.000000 0.583712 0.500000 Tm\n0.416288 0.416288 0.500000 Tm\n0.583712 -0.000000 0.500000 Tm\n0.777410 0.777410 0.000000 Mn\n0.222589 -0.000000 0.000000 Mn\n-0.000000 0.222589 0.000000 Mn\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n",
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"formula_full": "Tm3 Mn3 Ge3",
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"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-15295",
"created_at": "2022-09-04T14:36:58.544754Z",
"updated_at": "2022-09-04T14:36:58.544784Z",
"structure_string": "Tm1 Mn2 Ge2\n1.0\n3.688846 0.000000 -1.264846\n-0.433695 3.663263 -1.264846\n0.014473 0.016287 6.053780\nTm Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.249999 0.750000 0.499999 Mn\n0.750000 0.250000 0.499999 Mn\n0.618228 0.618228 0.236457 Ge\n0.381771 0.381772 0.763541 Ge\n",
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},
{
"id": "jvasp-12291",
"created_at": "2022-09-04T14:38:00.845647Z",
"updated_at": "2022-09-04T14:38:00.845662Z",
"structure_string": "Tm4 Mn4 Ge4\n1.0\n4.028957 0.000000 0.000000\n0.000000 6.930400 0.000000\n0.000000 0.000000 7.839688\nTm Mn Ge\n4 4 4\ndirect\n0.250000 0.526030 0.183032 Tm\n0.750001 0.473970 0.816968 Tm\n0.250000 0.026030 0.316968 Tm\n0.750001 0.973970 0.683032 Tm\n0.750001 0.367061 0.443637 Mn\n0.250000 0.132939 0.943637 Mn\n0.750001 0.867061 0.056363 Mn\n0.250000 0.632939 0.556363 Mn\n0.250000 0.271467 0.618955 Ge\n0.750001 0.228533 0.118955 Ge\n0.250000 0.771467 0.881045 Ge\n0.750001 0.728533 0.381045 Ge\n",
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"formula_full": "Tm4 Mn4 Ge4",
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{
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"created_at": "2022-09-04T14:38:42.243302Z",
"updated_at": "2022-09-04T14:38:42.243320Z",
"structure_string": "Tm4 Mn2 C8\n1.0\n6.126046 0.003168 -2.142701\n-1.349973 4.389895 -4.585413\n-0.002005 -0.003168 6.489962\nTm Mn C\n4 2 8\ndirect\n0.508231 0.354269 0.153962 Tm\n0.491769 0.645730 0.846037 Tm\n0.200306 0.854268 0.346037 Tm\n0.799694 0.145731 0.653962 Tm\n-0.000000 0.250000 0.250000 Mn\n-0.000000 0.749999 0.749999 Mn\n0.251802 0.079636 0.172164 C\n0.748199 0.920363 0.827836 C\n0.907473 0.579636 0.327836 C\n0.092527 0.420363 0.672163 C\n0.473639 0.129941 0.343699 C\n0.526361 0.870058 0.656301 C\n0.786243 0.629941 0.156302 C\n0.213757 0.370058 0.843698 C\n",
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{
"id": "jvasp-41419",
"created_at": "2022-09-04T14:38:02.265241Z",
"updated_at": "2022-09-04T14:38:02.265262Z",
"structure_string": "Tm1 Mg1 Zn2\n1.0\n-0.000000 3.370444 3.370444\n3.370444 0.000000 3.370444\n3.370444 3.370444 -0.000000\nTm Mg Zn\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Tm\n0.249999 0.249999 0.249999 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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},
{
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"created_at": "2022-09-04T14:37:11.481229Z",
"updated_at": "2022-09-04T14:37:11.481256Z",
"structure_string": "Tm2 Mg1 Tl1\n1.0\n-0.000000 3.707411 3.707411\n3.707411 -0.000000 3.707411\n3.707411 3.707411 0.000000\nTm Mg Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500001 0.500001 Tm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Tl\n",
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}