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{
"id": "jvasp-15586",
"created_at": "2022-09-04T14:36:49.967298Z",
"updated_at": "2022-09-04T14:36:49.967320Z",
"structure_string": "Ca1 Mn2 As2\n1.0\n1.987726 -3.442843 -0.000000\n1.987726 3.442843 0.000000\n-0.000000 -0.000000 6.977058\nCa Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.385178 Mn\n0.666668 0.333334 0.614822 Mn\n0.666668 0.333334 0.269000 As\n0.333334 0.666668 0.731000 As\n",
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{
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"structure_string": "Zn4 Ni2 N4\n1.0\n3.557042 -0.001659 -0.001353\n-1.775922 5.667034 -0.009655\n-1.777499 -1.778300 6.179734\nZn Ni N\n4 2 4\ndirect\n0.149140 0.804037 0.492127 Zn\n0.852772 0.193996 0.509319 Zn\n0.299047 0.393566 0.202571 Zn\n0.702771 0.604486 0.798880 Zn\n0.494431 0.874129 0.112688 Ni\n0.507396 0.123925 0.888767 Ni\n0.554865 0.750855 0.356785 N\n0.447074 0.247214 0.644671 N\n0.294914 0.772374 0.815256 N\n0.706901 0.225674 0.186199 N\n",
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{
"id": "jvasp-105305",
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"updated_at": "2022-09-04T14:36:57.484824Z",
"structure_string": "Sm2 Cd1 Ni2\n1.0\n7.439722 0.014425 0.000000\n-6.407666 3.780408 0.000000\n0.000000 0.000000 3.745849\nSm Cd Ni\n2 1 2\ndirect\n0.636847 0.363152 0.500000 Sm\n0.363152 0.636848 0.500000 Sm\n0.000000 0.000000 0.000000 Cd\n0.799510 0.200488 -0.000000 Ni\n0.200489 0.799511 -0.000000 Ni\n",
"nsites": 5,
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"elements": [
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"density": 8.334479545264198,
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"formula_full": "Sm2 Cd1 Ni2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 65
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{
"id": "jvasp-15289",
"created_at": "2022-09-04T14:36:42.220192Z",
"updated_at": "2022-09-04T14:36:42.220224Z",
"structure_string": "Sm1 Si2 Ni2\n1.0\n3.764885 0.000000 -1.451690\n-0.559753 3.723042 -1.451690\n-0.014076 -0.016351 5.571358\nSm Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.629153 0.629152 0.258305 Si\n0.370848 0.370848 0.741696 Si\n0.750001 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n",
"nsites": 5,
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"elements": [
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"volume": 77.91402126102669,
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"formula_full": "Sm1 Si2 Ni2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-3018",
"created_at": "2022-09-04T14:36:48.072053Z",
"updated_at": "2022-09-04T14:36:48.072080Z",
"structure_string": "Yb1 Zn2 P2\n1.0\n2.015311 -3.490621 0.000000\n2.015311 3.490621 0.000000\n0.000000 0.000000 6.741278\nYb Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666667 0.333333 0.361605 Zn\n0.333333 0.666667 0.638395 Zn\n0.666667 0.333333 0.743196 P\n0.333333 0.666667 0.256804 P\n",
"nsites": 5,
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"volume": 94.84556004651752,
"volume_molar": 11.423466261223215,
"formula_full": "Yb1 Zn2 P2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-2466",
"created_at": "2022-09-04T14:36:49.166095Z",
"updated_at": "2022-09-04T14:36:49.166107Z",
"structure_string": "Ca1 Mg2 N2\n1.0\n1.771303 -3.067986 0.000000\n1.771303 3.067986 0.000000\n0.000000 0.000000 6.079305\nCa Mg N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.333332 0.666666 0.858950 Mg\n0.666666 0.333332 0.141049 Mg\n0.333332 0.666666 0.233668 N\n0.666666 0.333332 0.766331 N\n",
"nsites": 5,
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"formula_full": "Ca1 Mg2 N2",
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"spacegroup": 164
},
{
"id": "jvasp-58864",
"created_at": "2022-09-04T14:36:57.729119Z",
"updated_at": "2022-09-04T14:36:57.729146Z",
"structure_string": "Rb8 Cd4 O8\n1.0\n6.353186 -0.000000 0.000000\n-0.000000 6.390913 0.000000\n0.000000 0.000000 10.565179\nRb Cd O\n8 4 8\ndirect\n0.396637 0.107719 0.344220 Rb\n0.603364 0.392280 0.844220 Rb\n0.896637 0.892280 0.344220 Rb\n0.103363 0.607719 0.844220 Rb\n0.603364 0.892280 0.655781 Rb\n0.396637 0.607719 0.155780 Rb\n0.896637 0.392280 0.155780 Rb\n0.103363 0.107719 0.655781 Rb\n0.250000 0.040259 0.000000 Cd\n0.750000 0.959741 0.000000 Cd\n0.250000 0.540258 0.500000 Cd\n0.750000 0.459741 0.500000 Cd\n0.519038 0.190660 0.096451 O\n0.019037 0.809340 0.096451 O\n0.519038 0.690660 0.403549 O\n0.480963 0.309340 0.596451 O\n0.480963 0.809340 0.903549 O\n0.980963 0.190660 0.903549 O\n0.019037 0.309340 0.403549 O\n0.980963 0.690660 0.596451 O\n",
"nsites": 20,
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"elements": [
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],
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"volume": 428.974360198473,
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},
{
"id": "jvasp-15422",
"created_at": "2022-09-04T14:36:58.927727Z",
"updated_at": "2022-09-04T14:36:58.927742Z",
"structure_string": "Yb1 Si2 Pd2\n1.0\n3.961538 0.000000 -1.518658\n-0.582178 3.918528 -1.518658\n-0.078005 -0.090451 5.722838\nYb Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.621516 0.621517 0.243032 Si\n0.378483 0.378484 0.756968 Si\n0.750000 0.250000 0.500000 Pd\n0.249999 0.750001 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"Pd"
],
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"density": 8.36520519155787,
"density_atomic": 0.056980352003788336,
"volume": 87.74954566211832,
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"formula_full": "Yb1 Si2 Pd2",
"formula_reduced": "Yb(SiPd)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-15464",
"created_at": "2022-09-04T14:36:43.021331Z",
"updated_at": "2022-09-04T14:36:43.021358Z",
"structure_string": "Er1 Ni2 Ge2\n1.0\n3.780170 0.000000 -1.438183\n-0.547164 3.740360 -1.438183\n-0.010074 -0.011655 5.660577\nEr Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.750001 0.249999 0.500001 Ni\n0.250001 0.749999 0.500001 Ni\n0.627596 0.627595 0.255192 Ge\n0.372406 0.372404 0.744810 Ge\n",
"nsites": 5,
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},
{
"id": "jvasp-103657",
"created_at": "2022-09-04T14:36:39.950101Z",
"updated_at": "2022-09-04T14:36:39.950121Z",
"structure_string": "Ce1 Al2 Si2\n1.0\n4.217706 -0.000000 0.000000\n-2.108854 3.652641 0.000000\n0.000000 0.000000 6.842658\nCe Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333334 0.666667 0.641191 Al\n0.666668 0.333333 0.358809 Al\n0.333334 0.666667 0.267120 Si\n0.666668 0.333333 0.732880 Si\n",
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},
{
"id": "jvasp-2838",
"created_at": "2022-09-04T14:36:57.781458Z",
"updated_at": "2022-09-04T14:36:57.781479Z",
"structure_string": "K2 Pt1 Se2\n1.0\n3.624040 -0.000000 1.116782\n1.335964 5.853248 2.103228\n0.023756 0.019423 6.361442\nK Pt Se\n2 1 2\ndirect\n0.200316 0.299684 0.299684 K\n0.799684 0.700316 0.700316 K\n0.000000 0.000000 0.000000 Pt\n0.499999 0.775069 0.224931 Se\n0.500001 0.224930 0.775069 Se\n",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-15420",
"created_at": "2022-09-04T14:36:57.663480Z",
"updated_at": "2022-09-04T14:36:57.663506Z",
"structure_string": "Tb1 Si2 Ag2\n1.0\n3.925703 -0.000000 -1.406225\n-0.503724 3.893251 -1.406225\n-0.019093 -0.021723 6.129425\nTb Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.607023 0.607023 0.214048 Si\n0.392978 0.392977 0.785953 Si\n0.250001 0.750000 0.500001 Ag\n0.750000 0.250000 0.500000 Ag\n",
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}
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