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{
"id": "jvasp-15339",
"created_at": "2022-09-04T14:37:02.242233Z",
"updated_at": "2022-09-04T14:37:02.242251Z",
"structure_string": "Nd1 Co2 Si2\n1.0\n3.715097 0.000000 -1.378552\n-0.511536 3.679712 -1.378552\n0.009656 0.011091 5.721258\nNd Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.749999 0.500000 Co\n0.750001 0.250000 0.500001 Co\n0.633982 0.633981 0.267963 Si\n0.366019 0.366018 0.732038 Si\n",
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{
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"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",
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"formula_full": "Rb8 Cd4 O8",
"formula_reduced": "Rb2CdO2",
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"spacegroup": 60
},
{
"id": "jvasp-102622",
"created_at": "2022-09-04T14:36:50.301397Z",
"updated_at": "2022-09-04T14:36:50.301418Z",
"structure_string": "Nd4 Ge4 Ru2\n1.0\n5.328305 -0.004342 2.763368\n3.558079 3.966223 2.763368\n-0.007386 -0.003293 10.624468\nNd Ge Ru\n4 4 2\ndirect\n0.003835 0.003835 0.325988 Nd\n-0.003836 -0.003835 0.674012 Nd\n0.815132 0.815132 0.108552 Nd\n0.184867 0.184868 0.891449 Nd\n0.654473 0.654474 0.431558 Ge\n0.345526 0.345527 0.568443 Ge\n0.505848 0.505849 0.127784 Ge\n0.494150 0.494152 0.872217 Ge\n0.723957 0.723958 0.624038 Ru\n0.276042 0.276042 0.375963 Ru\n",
"nsites": 10,
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"elements": [
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"Ge",
"Ru"
],
"chemical_system": "Ge-Nd-Ru",
"density": 7.901682996157799,
"density_atomic": 0.04448580985895173,
"volume": 224.79078231252507,
"volume_molar": 13.537217326365443,
"formula_full": "Nd4 Ge4 Ru2",
"formula_reduced": "Nd2Ge2Ru",
"formula_anonymous": "AB2C2",
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"spacegroup": 12
},
{
"id": "jvasp-103003",
"created_at": "2022-09-04T14:36:43.240189Z",
"updated_at": "2022-09-04T14:36:43.240211Z",
"structure_string": "Ce2 P4 Pt4\n1.0\n4.208801 -0.012487 -9.171352\n-0.212273 4.203462 -9.171352\n0.011907 0.012487 10.090965\nCe P Pt\n2 4 4\ndirect\n0.373557 0.373557 -0.000000 Ce\n0.626443 0.626442 -0.000000 Ce\n0.070806 0.070805 -0.000000 P\n0.929195 0.929193 -0.000000 P\n0.750000 0.250000 0.500001 P\n0.250001 0.750000 0.500001 P\n0.193202 0.193202 -0.000000 Pt\n0.806798 0.806797 -0.000000 Pt\n0.500000 -0.000000 0.500001 Pt\n0.000001 0.500000 0.500001 Pt\n",
"nsites": 10,
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"elements": [
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],
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"density": 10.959525836617589,
"density_atomic": 0.05572128854945588,
"volume": 179.46462223543915,
"volume_molar": 10.807612165420403,
"formula_full": "Ce2 P4 Pt4",
"formula_reduced": "Ce(PPt)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-15109",
"created_at": "2022-09-04T14:36:42.754539Z",
"updated_at": "2022-09-04T14:36:42.754560Z",
"structure_string": "Dy1 Si2 Au2\n1.0\n4.020888 -0.000000 -1.543014\n-0.592131 3.977050 -1.543014\n-0.043421 -0.050365 5.897305\nDy Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.613772 0.613771 0.227542 Si\n0.386229 0.386228 0.772460 Si\n0.250000 0.749999 0.500001 Au\n0.750000 0.249999 0.500001 Au\n",
"nsites": 5,
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"elements": [
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"volume": 93.68045707119052,
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},
{
"id": "jvasp-15807",
"created_at": "2022-09-04T14:36:56.334851Z",
"updated_at": "2022-09-04T14:36:56.334870Z",
"structure_string": "Sr1 Zn2 Sb2\n1.0\n2.276740 -3.943429 -0.000000\n2.276740 3.943429 0.000000\n0.000000 -0.000000 7.701476\nSr Zn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.363843 Zn\n0.333333 0.666667 0.636157 Zn\n0.333333 0.666667 0.268076 Sb\n0.666667 0.333333 0.731925 Sb\n",
"nsites": 5,
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"elements": [
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"Sb"
],
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"density_atomic": 0.03615585022427313,
"volume": 138.29020667430643,
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"formula_full": "Sr1 Zn2 Sb2",
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"spacegroup": 164
},
{
"id": "jvasp-103382",
"created_at": "2022-09-04T14:36:42.066245Z",
"updated_at": "2022-09-04T14:36:42.066264Z",
"structure_string": "Lu4 Sn2 Au4\n1.0\n8.162410 0.000000 -0.000000\n-0.000000 8.162410 0.000000\n-0.000000 0.000000 3.520468\nLu Sn Au\n4 2 4\ndirect\n0.840080 0.340080 0.500000 Lu\n0.159920 0.659920 0.500000 Lu\n0.340080 0.159920 0.500000 Lu\n0.659920 0.840080 0.500000 Lu\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.632256 0.132256 0.000000 Au\n0.367744 0.867744 0.000000 Au\n0.132256 0.367744 0.000000 Au\n0.867744 0.632256 0.000000 Au\n",
"nsites": 10,
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"elements": [
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],
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"density": 12.213491202981489,
"density_atomic": 0.04263465838622426,
"volume": 234.55095873903176,
"volume_molar": 14.124988889194013,
"formula_full": "Lu4 Sn2 Au4",
"formula_reduced": "Lu2SnAu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.707145668,
"spacegroup": 127
},
{
"id": "jvasp-3993",
"created_at": "2022-09-04T14:36:41.785085Z",
"updated_at": "2022-09-04T14:36:41.785118Z",
"structure_string": "Sc2 C1 Cl2\n1.0\n1.717367 -2.974568 0.000000\n1.717367 2.974568 0.000000\n0.000000 0.000000 8.872521\nSc C Cl\n2 1 2\ndirect\n0.666668 0.333334 0.361184 Sc\n0.333334 0.666668 0.638815 Sc\n0.000000 -0.000000 0.500000 C\n0.666668 0.333334 0.826496 Cl\n0.333334 0.666668 0.173504 Cl\n",
"nsites": 5,
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"elements": [
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"C",
"Cl"
],
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"density": 3.1659239029157145,
"density_atomic": 0.05515767578214023,
"volume": 90.64921480282848,
"volume_molar": 10.918046626522175,
"formula_full": "Sc2 C1 Cl2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-15172",
"created_at": "2022-09-04T14:36:56.513034Z",
"updated_at": "2022-09-04T14:36:56.513044Z",
"structure_string": "Tm1 Co2 Si2\n1.0\n3.626265 -0.000000 -1.342316\n-0.496879 3.592063 -1.342316\n-0.006405 -0.007351 5.552032\nTm Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750002 0.250000 0.500000 Co\n0.250001 0.750000 0.499999 Co\n0.627288 0.627287 0.254574 Si\n0.372714 0.372712 0.745425 Si\n",
"nsites": 5,
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"volume": 72.24793737679134,
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"formula_full": "Tm1 Co2 Si2",
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"spacegroup": 139
},
{
"id": "jvasp-15621",
"created_at": "2022-09-04T14:36:42.805686Z",
"updated_at": "2022-09-04T14:36:42.805715Z",
"structure_string": "Th1 Si2 Ni2\n1.0\n3.826021 -0.000000 -1.502146\n-0.589762 3.780293 -1.502146\n-0.011164 -0.013040 5.595145\nTh Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.630521 0.630520 0.261041 Si\n0.369480 0.369479 0.738959 Si\n0.750000 0.250000 0.500000 Ni\n0.250001 0.750000 0.500000 Ni\n",
"nsites": 5,
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],
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},
{
"id": "jvasp-8326",
"created_at": "2022-09-04T14:36:43.267237Z",
"updated_at": "2022-09-04T14:36:43.267267Z",
"structure_string": "Zn1 W2 N2\n1.0\n3.242809 0.000000 0.000000\n0.000000 3.243145 0.000000\n0.000000 0.000000 7.171157\nZn W N\n1 2 2\ndirect\n0.000000 0.000000 0.249996 Zn\n0.500000 0.499999 0.927397 W\n0.500000 0.499999 0.572587 W\n0.500000 0.000000 0.427265 N\n0.000000 0.499999 0.072755 N\n",
"nsites": 5,
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],
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"formula_full": "Zn1 W2 N2",
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{
"id": "jvasp-15457",
"created_at": "2022-09-04T14:36:42.549301Z",
"updated_at": "2022-09-04T14:36:42.549317Z",
"structure_string": "Yb1 Mn2 Sb2\n1.0\n2.148814 -3.721856 -0.000000\n2.148814 3.721856 -0.000000\n-0.000000 0.000000 7.584448\nYb Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666666 0.333332 0.609445 Mn\n0.333332 0.666666 0.390555 Mn\n0.666666 0.333332 0.256739 Sb\n0.333332 0.666666 0.743261 Sb\n",
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"formula_full": "Yb1 Mn2 Sb2",
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}
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}