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{
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{
"id": "jvasp-67782",
"created_at": "2022-09-04T14:35:48.645697Z",
"updated_at": "2022-09-04T14:35:48.645713Z",
"structure_string": "Be1 Ga1 Te1\n1.0\n-1.810067 1.810067 5.481763\n1.810067 -1.810067 5.481763\n1.810067 1.810067 -5.481763\nBe Ga Te\n1 1 1\ndirect\n0.108845 0.108845 0.000000 Be\n0.321638 0.321638 0.000000 Ga\n0.569517 0.569517 0.000000 Te\n",
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{
"id": "jvasp-118702",
"created_at": "2022-09-04T14:38:28.357953Z",
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"structure_string": "Mg1 Sb1 O1\n1.0\n3.185271 -0.000000 -0.000000\n-0.000000 3.185271 -0.000000\n-0.000000 0.000000 7.080685\nMg Sb O\n1 1 1\ndirect\n0.000000 0.000000 0.463327 Mg\n0.000000 0.000000 -0.005868 Sb\n0.000000 0.000000 0.722751 O\n",
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{
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"structure_string": "Sr2 Zn4\n1.0\n4.350909 0.000000 1.883170\n2.164397 5.505061 0.967131\n-0.011249 0.010210 5.993783\nSr Zn\n2 4\ndirect\n0.953411 0.796590 0.296589 Sr\n0.046590 0.203410 0.703410 Sr\n0.334971 0.224866 0.105193 Zn\n0.665030 0.775134 0.894806 Zn\n0.334971 0.605193 0.724866 Zn\n0.665030 0.394807 0.275134 Zn\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-74821",
"created_at": "2022-09-04T14:36:17.522279Z",
"updated_at": "2022-09-04T14:36:17.522306Z",
"structure_string": "Be1 Cd4 Te1\n1.0\n0.000000 4.157019 4.157019\n4.157019 0.000000 4.157019\n4.157019 4.157019 -0.000000\nBe Cd Te\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.122946 0.625685 0.625685 Cd\n0.625685 0.625685 0.625685 Cd\n0.625685 0.122946 0.625685 Cd\n0.625685 0.625685 0.122946 Cd\n0.250000 0.250000 0.250000 Te\n",
"nsites": 6,
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],
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"volume": 143.67328578899006,
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},
{
"id": "jvasp-8816",
"created_at": "2022-09-04T14:36:42.559582Z",
"updated_at": "2022-09-04T14:36:42.559598Z",
"structure_string": "Ag3 Au1 S2\n1.0\n5.205971 -0.271068 -0.085865\n0.595012 5.198963 -0.133593\n0.359552 -0.179837 5.274729\nAg Au S\n3 1 2\ndirect\n0.749485 0.665639 0.081395 Ag\n0.353590 0.061652 0.293658 Ag\n-0.041502 0.271151 0.687803 Ag\n0.354579 0.667372 0.687302 Au\n0.085522 -0.063700 -0.041616 S\n0.623325 0.397883 0.416463 S\n",
"nsites": 6,
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},
{
"id": "jvasp-97515",
"created_at": "2022-09-04T14:36:12.475798Z",
"updated_at": "2022-09-04T14:36:12.475833Z",
"structure_string": "Tm4 Cu12 Te12\n1.0\n6.907713 0.000000 0.000000\n0.000000 7.587106 0.000000\n0.000000 0.000000 12.792779\nTm Cu Te\n4 12 12\ndirect\n0.243295 0.750007 0.161622 Tm\n0.743294 0.249993 0.338378 Tm\n0.743294 0.249993 0.661622 Tm\n0.243295 0.750007 0.838378 Tm\n0.622202 0.618630 0.674686 Cu\n0.864499 0.881405 0.674678 Cu\n0.122203 0.381371 0.174686 Cu\n0.864499 0.881405 0.325323 Cu\n0.622202 0.618630 0.325314 Cu\n0.364499 0.118596 0.825323 Cu\n0.868945 0.876300 0.000000 Cu\n0.117925 0.376441 0.500000 Cu\n0.122203 0.381371 0.825314 Cu\n0.617925 0.623560 0.000000 Cu\n0.364499 0.118596 0.174677 Cu\n0.368945 0.123701 0.500000 Cu\n0.011869 0.566411 0.662452 Te\n0.487770 0.950298 0.000000 Te\n0.474749 0.933571 0.337570 Te\n-0.001069 0.549571 0.000000 Te\n0.498931 0.450430 0.500000 Te\n0.974748 0.066430 0.837571 Te\n0.987770 0.049703 0.500000 Te\n0.011869 0.566411 0.337549 Te\n0.974748 0.066430 0.162430 Te\n0.511868 0.433589 0.837549 Te\n0.511868 0.433589 0.162452 Te\n0.474749 0.933571 0.662430 Te\n",
"nsites": 28,
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"elements": [
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],
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"volume": 670.463800215843,
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"formula_full": "Tm4 Cu12 Te12",
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{
"id": "jvasp-118605",
"created_at": "2022-09-04T14:38:51.238183Z",
"updated_at": "2022-09-04T14:38:51.238214Z",
"structure_string": "Li1 Nb1 Te1\n1.0\n7.826401 -1.233909 0.000000\n-0.923477 3.421819 0.000000\n0.000000 0.000000 2.801518\nLi Nb Te\n1 1 1\ndirect\n0.463621 -0.017229 0.000000 Li\n-0.218981 -0.224467 0.000000 Nb\n0.078788 0.547241 0.000000 Te\n",
"nsites": 3,
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"elements": [
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],
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"density": 5.257762500448061,
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"volume": 71.83383807344465,
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"spacegroup": 6
},
{
"id": "jvasp-20270",
"created_at": "2022-09-04T14:37:59.355450Z",
"updated_at": "2022-09-04T14:37:59.355474Z",
"structure_string": "Mg24 As16\n1.0\n10.140058 -0.000000 -3.585052\n-5.070028 8.781548 -3.585052\n0.000000 0.000000 10.755155\nMg As\n24 16\ndirect\n0.024415 0.492705 0.758841 Mg\n0.531710 0.524416 0.765576 Mg\n0.241160 0.975585 0.507295 Mg\n0.734425 0.258840 0.766137 Mg\n0.968290 0.733864 0.992706 Mg\n0.258840 0.766136 0.734425 Mg\n0.992705 0.968290 0.733865 Mg\n0.524415 0.765575 0.531711 Mg\n0.765575 0.531710 0.524416 Mg\n0.733864 0.992706 0.968291 Mg\n0.766136 0.734425 0.258841 Mg\n0.975585 0.507295 0.241160 Mg\n0.507295 0.241160 0.975585 Mg\n0.007295 0.031710 0.266136 Mg\n0.475585 0.234425 0.468290 Mg\n0.233864 0.265575 0.741160 Mg\n0.266136 0.007295 0.031710 Mg\n0.468290 0.475585 0.234425 Mg\n0.234425 0.468290 0.475585 Mg\n0.265575 0.741160 0.233864 Mg\n0.031710 0.266136 0.007295 Mg\n0.492705 0.758840 0.024416 Mg\n0.741160 0.233864 0.265575 Mg\n0.758840 0.024415 0.492706 Mg\n0.500000 0.000000 0.000000 As\n0.227894 0.977894 0.250000 As\n-0.000000 0.500000 0.000000 As\n0.250000 0.227894 0.977895 As\n0.272106 0.522106 0.750001 As\n0.522106 0.750000 0.272106 As\n0.977894 0.250000 0.227894 As\n0.772106 0.022106 0.750001 As\n0.750000 0.772106 0.022106 As\n0.727894 0.477894 0.250000 As\n0.477894 0.250000 0.727895 As\n0.022106 0.750000 0.772107 As\n0.250000 0.727894 0.477895 As\n-0.000000 -0.000000 0.500000 As\n0.750000 0.272106 0.522106 As\n0.500000 0.500000 0.500000 As\n",
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"formula_full": "Mg24 As16",
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"spacegroup": 206
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{
"id": "jvasp-91685",
"created_at": "2022-09-04T14:35:56.559095Z",
"updated_at": "2022-09-04T14:35:56.559117Z",
"structure_string": "Eu4 Ga4\n1.0\n5.618782 -0.301398 1.260798\n-0.052407 5.581665 2.077778\n0.235365 -0.141191 6.114905\nEu Ga\n4 4\ndirect\n0.749492 0.831985 0.960088 Eu\n0.250506 0.168014 0.039914 Eu\n0.313009 0.723132 0.612554 Eu\n0.686989 0.276866 0.387449 Eu\n0.845829 0.769192 0.444369 Ga\n0.154169 0.230807 0.555633 Ga\n0.786180 0.374955 0.829703 Ga\n0.213818 0.625044 0.170299 Ga\n",
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{
"id": "jvasp-39320",
"created_at": "2022-09-04T14:37:40.745228Z",
"updated_at": "2022-09-04T14:37:40.745251Z",
"structure_string": "Li1 In3\n1.0\n-2.257296 2.257296 4.698650\n2.257296 -2.257296 4.698650\n2.257296 2.257296 -4.698650\nLi In\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.749999 0.249999 0.500000 In\n0.249999 0.749999 0.500000 In\n0.500001 0.500001 0.000000 In\n",
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{
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"created_at": "2022-09-04T14:37:07.175831Z",
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"structure_string": "In4 Hg2 S8\n1.0\n6.752443 -0.000000 3.898525\n2.250815 6.366265 3.898525\n-0.000000 0.000000 7.797050\nIn Hg S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 In\n-0.000000 0.500000 0.500000 In\n0.500000 0.500000 -0.000000 In\n0.500000 0.500000 0.500000 In\n0.125000 0.125000 0.125000 Hg\n0.874999 0.874999 0.875000 Hg\n0.739787 0.739787 0.739787 S\n0.260212 0.260212 0.719363 S\n0.260212 0.719362 0.260213 S\n0.719363 0.260212 0.260212 S\n0.739787 0.280637 0.739787 S\n0.280637 0.739787 0.739787 S\n0.260212 0.260212 0.260213 S\n0.739787 0.739787 0.280637 S\n",
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{
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"created_at": "2022-09-04T14:38:36.104591Z",
"updated_at": "2022-09-04T14:38:36.104612Z",
"structure_string": "Er10 Ge6\n1.0\n4.187077 -7.252231 0.000000\n4.187077 7.252231 -0.000000\n-0.000000 -0.000000 6.306552\nEr Ge\n10 6\ndirect\n0.241050 0.000000 0.250000 Er\n0.758950 0.000000 0.750000 Er\n0.241050 0.241050 0.750000 Er\n0.000000 0.241050 0.250000 Er\n0.758950 0.758950 0.250000 Er\n0.000000 0.758950 0.750000 Er\n0.333333 0.666667 0.500000 Er\n0.666667 0.333333 0.000000 Er\n0.666667 0.333333 0.500000 Er\n0.333333 0.666667 0.000000 Er\n0.000000 0.606288 0.250000 Ge\n0.606288 0.606288 0.750000 Ge\n0.393712 0.000000 0.750000 Ge\n0.606288 0.000000 0.250000 Ge\n0.393712 0.393712 0.250000 Ge\n0.000000 0.393712 0.750000 Ge\n",
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}