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{
"id": "jvasp-117173",
"created_at": "2022-09-04T14:38:48.471855Z",
"updated_at": "2022-09-04T14:38:48.471888Z",
"structure_string": "Y4 Al18 Pd6\n1.0\n7.642219 0.006503 0.000000\n-3.779164 6.642400 0.000000\n0.000000 0.000000 9.501399\nY Al Pd\n4 18 6\ndirect\n0.994135 0.669466 0.250000 Y\n0.005865 0.330533 0.750000 Y\n0.669467 0.994135 0.250000 Y\n0.330533 0.005865 0.750000 Y\n0.454261 0.662968 0.750000 Al\n0.545739 0.337031 0.250000 Al\n0.662968 0.454261 0.750000 Al\n0.337032 0.545739 0.250000 Al\n0.333524 0.333524 0.939704 Al\n0.666477 0.666476 0.060296 Al\n0.666477 0.666476 0.439704 Al\n0.333524 0.333524 0.560296 Al\n0.334676 0.000771 0.074904 Al\n0.665325 0.999229 0.574904 Al\n0.000771 0.334676 0.425096 Al\n0.334676 0.000771 0.425096 Al\n0.999229 0.665324 0.574904 Al\n0.999229 0.665324 0.925096 Al\n0.000771 0.334676 0.074904 Al\n0.870481 0.870480 0.750000 Al\n0.129520 0.129520 0.250000 Al\n0.665325 0.999229 0.925096 Al\n0.000000 0.000000 0.000000 Pd\n0.671424 0.328576 -0.000000 Pd\n0.328576 0.671424 -0.000000 Pd\n0.328576 0.671424 0.500000 Pd\n0.671424 0.328576 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n",
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{
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"structure_string": "Th2 Mn4 Si2 C2\n1.0\n5.729012 0.066673 0.000000\n-4.389283 3.682420 0.000000\n0.000000 0.000000 6.758043\nTh Mn Si C\n2 4 2 2\ndirect\n0.556119 0.443881 0.250000 Th\n0.443881 0.556119 0.750000 Th\n0.834229 0.165770 0.071661 Mn\n0.165771 0.834230 0.928338 Mn\n0.165771 0.834230 0.571661 Mn\n0.834229 0.165770 0.428338 Mn\n0.272542 0.727458 0.250000 Si\n0.727458 0.272541 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"formula_full": "Th2 Mn4 Si2 C2",
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"formula_anonymous": "ABCD2",
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"spacegroup": 63
},
{
"id": "jvasp-117174",
"created_at": "2022-09-04T14:38:48.665187Z",
"updated_at": "2022-09-04T14:38:48.665212Z",
"structure_string": "Y4 Ga18 Ir6\n1.0\n7.572701 0.004755 0.000000\n-3.774928 6.564735 0.000000\n-0.000000 0.000000 9.517489\nY Ga Ir\n4 18 6\ndirect\n0.997272 0.669326 0.250000 Y\n0.002728 0.330674 0.750000 Y\n0.669326 0.997272 0.250000 Y\n0.330674 0.002728 0.750000 Y\n0.453618 0.661104 0.750000 Ga\n0.546382 0.338896 0.250000 Ga\n0.661104 0.453618 0.750000 Ga\n0.338896 0.546382 0.250000 Ga\n0.332039 0.332039 0.932361 Ga\n0.667961 0.667961 0.067639 Ga\n0.667961 0.667961 0.432361 Ga\n0.332039 0.332039 0.567639 Ga\n0.334569 0.999059 0.080820 Ga\n0.665431 0.000941 0.580820 Ga\n0.999059 0.334570 0.419180 Ga\n0.334569 0.999059 0.419180 Ga\n0.000940 0.665430 0.580820 Ga\n0.000940 0.665430 0.919180 Ga\n0.999059 0.334570 0.080820 Ga\n0.870960 0.870960 0.750000 Ga\n0.129040 0.129040 0.250000 Ga\n0.665431 0.000941 0.919180 Ga\n0.000000 0.000000 0.000000 Ir\n0.671073 0.328927 -0.000000 Ir\n0.328926 0.671073 -0.000000 Ir\n0.328926 0.671073 0.500000 Ir\n0.671073 0.328927 0.500000 Ir\n0.000000 0.000000 0.500000 Ir\n",
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"formula_full": "Y4 Ga18 Ir6",
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"formula_anonymous": "A2B3C9",
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{
"id": "jvasp-119547",
"created_at": "2022-09-04T14:38:48.748806Z",
"updated_at": "2022-09-04T14:38:48.748821Z",
"structure_string": "Na2 Mn2 O8\n1.0\n5.217959 0.066317 0.000000\n-2.062925 4.793311 0.000000\n-0.000000 -0.000000 7.079207\nNa Mn O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.371696 0.628304 0.750000 Mn\n0.628303 0.371697 0.250000 Mn\n0.290636 0.250347 0.250000 O\n0.250347 0.290636 0.750000 O\n0.266366 0.733633 0.563087 O\n0.733633 0.266367 0.063087 O\n0.733633 0.266367 0.436914 O\n0.266366 0.733633 0.936914 O\n0.749653 0.709364 0.250000 O\n0.709364 0.749654 0.750000 O\n",
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"formula_anonymous": "ABC4",
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"spacegroup": 63
},
{
"id": "jvasp-117244",
"created_at": "2022-09-04T14:38:48.873298Z",
"updated_at": "2022-09-04T14:38:48.873329Z",
"structure_string": "V2 Ni4 N6\n1.0\n5.627352 -0.012668 0.000000\n-3.383309 5.173241 0.000000\n0.000000 -0.000000 4.011079\nV Ni N\n2 4 6\ndirect\n-0.000000 0.682869 0.428689 V\n-0.000000 0.317130 0.928689 V\n0.301856 0.302490 0.428613 Ni\n0.698144 0.000634 0.428613 Ni\n0.698143 0.697509 0.928613 Ni\n0.301855 0.999365 0.928613 Ni\n0.339698 0.333136 0.928688 N\n0.660301 0.993436 0.928688 N\n0.660301 0.666863 0.428688 N\n0.339698 0.006563 0.428688 N\n-0.000000 0.636187 0.928710 N\n-0.000000 0.363813 0.428709 N\n",
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"formula_full": "V2 Ni4 N6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 63
},
{
"id": "jvasp-116491",
"created_at": "2022-09-04T14:38:49.359189Z",
"updated_at": "2022-09-04T14:38:49.359214Z",
"structure_string": "Y6 In10\n1.0\n6.382741 -0.012995 0.000000\n-1.278774 6.253342 0.000000\n0.000000 -0.000000 10.343772\nY In\n6 10\ndirect\n0.619178 0.619177 0.250000 Y\n0.380822 0.380822 0.750000 Y\n0.204726 0.795274 0.500000 Y\n0.204726 0.795274 -0.000000 Y\n0.795275 0.204725 0.500000 Y\n0.795275 0.204725 -0.000000 Y\n0.004563 0.004563 0.250000 In\n0.995438 0.995436 0.750000 In\n0.306368 0.306368 0.044037 In\n0.693632 0.693631 0.955963 In\n0.306368 0.306368 0.455963 In\n0.693632 0.693631 0.544037 In\n0.506653 0.071053 0.250000 In\n0.928947 0.493346 0.750000 In\n0.493347 0.928946 0.750000 In\n0.071053 0.506653 0.250000 In\n",
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},
{
"id": "jvasp-111318",
"created_at": "2022-09-04T14:38:49.712214Z",
"updated_at": "2022-09-04T14:38:49.712233Z",
"structure_string": "Ce2 Al4 Ni2\n1.0\n5.727040 -0.130321 0.000000\n-4.198058 3.897728 0.000000\n-0.000000 -0.000000 6.869382\nCe Al Ni\n2 4 2\ndirect\n0.551209 0.448792 0.250000 Ce\n0.448791 0.551209 0.750000 Ce\n0.833522 0.166478 0.055406 Al\n0.166478 0.833523 0.944593 Al\n0.166478 0.833523 0.555406 Al\n0.833522 0.166478 0.444593 Al\n0.281620 0.718380 0.250000 Ni\n0.718380 0.281621 0.750000 Ni\n",
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},
{
"id": "jvasp-111323",
"created_at": "2022-09-04T14:38:49.861005Z",
"updated_at": "2022-09-04T14:38:49.861033Z",
"structure_string": "Li4 Al2\n1.0\n5.328274 0.000361 0.000000\n-3.348069 4.144989 0.000000\n-0.000000 -0.000000 4.457474\nLi Al\n4 2\ndirect\n0.241884 0.758116 0.250000 Li\n0.758115 0.241884 0.749999 Li\n0.589892 0.410108 0.250000 Li\n0.410107 0.589893 0.749999 Li\n0.923001 0.076998 0.250000 Al\n0.076998 0.923002 0.749999 Al\n",
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"elements": [
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{
"id": "jvasp-114088",
"created_at": "2022-09-04T14:38:50.017348Z",
"updated_at": "2022-09-04T14:38:50.017382Z",
"structure_string": "Ba2 Te2\n1.0\n5.985515 0.581247 -0.120127\n0.691430 -6.846113 1.311480\n2.315464 6.180867 -6.368303\nBa Te\n2 2\ndirect\n0.129687 0.051273 -0.018528 Ba\n0.793847 0.224772 0.654996 Ba\n0.793603 0.725668 0.655884 Te\n0.129933 0.550389 0.980584 Te\n",
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{
"id": "jvasp-119036",
"created_at": "2022-09-04T14:38:50.040421Z",
"updated_at": "2022-09-04T14:38:50.040448Z",
"structure_string": "Tb6 Mn2 B14\n1.0\n8.084872 0.003709 0.000000\n-7.345936 3.376745 0.000000\n0.000000 0.000000 9.323465\nTb Mn B\n6 2 14\ndirect\n0.896034 0.103966 0.439121 Tb\n0.103964 0.896033 0.560879 Tb\n0.896034 0.103966 0.060879 Tb\n0.103964 0.896033 0.939122 Tb\n0.240908 0.759090 0.250000 Tb\n0.759090 0.240909 0.750000 Tb\n0.054257 0.945741 0.250000 Mn\n0.945742 0.054258 0.750000 Mn\n0.477793 0.522206 0.599053 B\n0.522206 0.477793 0.400947 B\n0.477793 0.522206 0.900947 B\n0.522206 0.477793 0.099053 B\n0.370028 0.629970 0.653043 B\n0.629970 0.370029 0.346958 B\n0.727151 0.272848 0.032744 B\n0.629970 0.370029 0.153044 B\n0.272847 0.727151 0.967257 B\n0.461280 0.538719 0.250000 B\n0.272847 0.727151 0.532744 B\n0.727151 0.272848 0.467256 B\n0.370028 0.629970 0.846958 B\n0.538719 0.461280 0.750000 B\n",
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{
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"created_at": "2022-09-04T14:38:50.360135Z",
"updated_at": "2022-09-04T14:38:50.360162Z",
"structure_string": "Sc2 Ag2 S2\n1.0\n1.858753 -4.135180 -0.000000\n1.858753 4.135180 0.000000\n0.000000 -0.000000 8.923020\nSc Ag S\n2 2 2\ndirect\n0.428664 0.571335 0.250000 Sc\n0.571335 0.428664 0.750000 Sc\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.269683 0.730316 0.750000 S\n0.730316 0.269683 0.250000 S\n",
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},
{
"id": "jvasp-117085",
"created_at": "2022-09-04T14:38:50.200986Z",
"updated_at": "2022-09-04T14:38:50.201003Z",
"structure_string": "Li2 V2 Ni2 O8\n1.0\n4.668330 0.000000 2.028107\n-0.000000 6.159700 0.000000\n-0.003284 -0.000000 5.089843\nLi V Ni O\n2 2 2 8\ndirect\n0.335428 0.750000 0.335427 Li\n0.664573 0.250000 0.664572 Li\n0.352307 0.250000 0.352306 V\n0.647694 0.750000 0.647693 V\n0.000000 0.500000 -0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.234783 0.025708 0.234783 O\n0.234783 0.474292 0.234783 O\n0.765218 0.974292 0.765217 O\n0.765218 0.525708 0.765217 O\n0.731904 0.250000 0.233935 O\n0.766066 0.750000 0.268097 O\n0.233935 0.250000 0.731903 O\n0.268098 0.750000 0.766065 O\n",
"nsites": 14,
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"elements": [
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"density_atomic": 0.09562706419761978,
"volume": 146.4020684674378,
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"formula_full": "Li2 V2 Ni2 O8",
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"formula_anonymous": "ABCD4",
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}
]
}