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{
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"results": [
{
"id": "jvasp-36075",
"created_at": "2022-09-04T14:37:15.983846Z",
"updated_at": "2022-09-04T14:37:15.983875Z",
"structure_string": "Na3 Co1\n1.0\n0.000000 3.647246 3.647246\n3.647246 0.000000 3.647246\n3.647246 3.647246 -0.000000\nNa Co\n3 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500001 0.500001 Na\n0.249999 0.249999 0.249999 Na\n0.749999 0.749999 0.749999 Co\n",
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{
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"created_at": "2022-09-04T14:37:58.790441Z",
"updated_at": "2022-09-04T14:37:58.790458Z",
"structure_string": "Cd1 Hg4 C6 S6 Br4 N6\n1.0\n6.041147 0.000000 1.723344\n3.020574 8.907436 0.861672\n-0.190088 0.000000 12.116587\nCd Hg C S Br N\n1 4 6 6 4 6\ndirect\n0.035630 -0.000000 -0.000000 Cd\n0.474105 0.685701 0.378656 Hg\n0.852760 0.685701 0.621344 Hg\n0.159805 0.314300 0.378656 Hg\n0.538461 0.314300 0.621344 Hg\n0.933429 0.736423 0.854755 C\n0.788183 0.736423 0.145244 C\n0.524608 0.263577 0.145245 C\n0.259626 -0.000000 0.228591 C\n0.488217 -0.000000 0.771409 C\n0.669852 0.263577 0.854755 C\n0.257747 0.385668 0.175348 S\n0.658757 -0.000000 0.642852 S\n0.301609 -0.000000 0.357148 S\n0.433096 0.385668 0.824652 S\n0.643414 0.614333 0.175348 S\n0.818763 0.614333 0.824652 S\n0.061211 0.307597 0.599449 Br\n0.368809 0.692403 0.599448 Br\n0.660660 0.307597 0.400551 Br\n0.968257 0.692403 0.400551 Br\n0.232623 -0.000000 0.136316 N\n0.015838 0.820210 0.879082 N\n0.836047 0.179791 0.879082 N\n0.715130 0.179791 0.120917 N\n0.368939 -0.000000 0.863684 N\n0.894920 0.820210 0.120917 N\n",
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"elements": [
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"C",
"S",
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],
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"density": 4.013338309655217,
"density_atomic": 0.041226081885737224,
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"formula_full": "Cd1 Hg4 C6 S6 Br4 N6",
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{
"id": "jvasp-97404",
"created_at": "2022-09-04T14:35:43.138999Z",
"updated_at": "2022-09-04T14:35:43.139035Z",
"structure_string": "Sr2 In4 Rh2\n1.0\n4.340049 0.000000 -0.000000\n-2.170024 5.480688 -0.000000\n0.000000 0.000000 8.157762\nSr In Rh\n2 4 2\ndirect\n0.061145 0.122290 0.750000 Sr\n0.938857 0.877711 0.250000 Sr\n0.347697 0.695393 0.947688 In\n0.652304 0.304607 0.052311 In\n0.652304 0.304607 0.447689 In\n0.347697 0.695393 0.552311 In\n0.781666 0.563331 0.750000 Rh\n0.218335 0.436670 0.250000 Rh\n",
"nsites": 8,
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"elements": [
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"In",
"Rh"
],
"chemical_system": "In-Rh-Sr",
"density": 7.191088022948099,
"density_atomic": 0.041227712969140774,
"volume": 194.04423442037773,
"volume_molar": 14.607021166824397,
"formula_full": "Sr2 In4 Rh2",
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"formula_anonymous": "ABC2",
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"spacegroup": 63
},
{
"id": "jvasp-115046",
"created_at": "2022-09-04T14:38:44.282492Z",
"updated_at": "2022-09-04T14:38:44.282515Z",
"structure_string": "Sr1 Ge1 S2\n1.0\n4.043948 0.000000 0.000000\n-2.021974 3.502162 -0.000000\n-0.000000 -0.000000 6.850417\nSr Ge S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ge\n0.333334 0.666667 0.770076 S\n0.666667 0.333333 0.229924 S\n",
"nsites": 4,
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"elements": [
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"Ge",
"S"
],
"chemical_system": "Ge-S-Sr",
"density": 3.8405532702530705,
"density_atomic": 0.04122884691427422,
"volume": 97.01944874463912,
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"formula_full": "Sr1 Ge1 S2",
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"formula_anonymous": "ABC2",
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"spacegroup": 164
},
{
"id": "jvasp-95023",
"created_at": "2022-09-04T14:35:51.752237Z",
"updated_at": "2022-09-04T14:35:51.752262Z",
"structure_string": "V3 Te4\n1.0\n-0.000000 3.961116 -0.000000\n0.027165 -0.000000 6.889672\n6.208270 -1.980558 -3.283276\nV Te\n3 4\ndirect\n0.000000 0.000000 0.000000 V\n0.743921 0.709350 0.487840 V\n0.256079 0.290649 0.512159 V\n0.635310 0.974047 0.270620 Te\n0.364690 0.025952 0.729379 Te\n0.887857 0.547801 0.775715 Te\n0.112143 0.452197 0.224285 Te\n",
"nsites": 7,
"nelements": 2,
"elements": [
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"density": 6.486617750585359,
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"volume": 169.78188549446563,
"volume_molar": 14.606434470655346,
"formula_full": "V3 Te4",
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"spacegroup": 12
},
{
"id": "jvasp-65690",
"created_at": "2022-09-04T14:36:14.854256Z",
"updated_at": "2022-09-04T14:36:14.854285Z",
"structure_string": "Ba1 Sc4 Ru1\n1.0\n0.000000 4.174753 4.174753\n4.174753 0.000000 4.174753\n4.174753 4.174753 -0.000000\nBa Sc Ru\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.115984 0.628004 0.628004 Sc\n0.628004 0.628004 0.628004 Sc\n0.628004 0.115984 0.628004 Sc\n0.628004 0.628004 0.115984 Sc\n0.000000 0.000000 0.000000 Ru\n",
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"density": 4.772349220222965,
"density_atomic": 0.04123147755725937,
"volume": 145.5198880919953,
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"formula_full": "Ba1 Sc4 Ru1",
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"spacegroup": 216
},
{
"id": "jvasp-19598",
"created_at": "2022-09-04T14:37:05.496359Z",
"updated_at": "2022-09-04T14:37:05.496383Z",
"structure_string": "V3 Te4\n1.0\n3.830270 -0.000000 -1.009252\n-0.792305 6.148003 -3.006920\n-0.125902 -0.100114 7.295041\nV Te\n3 4\ndirect\n0.256080 0.290654 0.512160 V\n0.743920 0.709347 0.487840 V\n0.000000 0.000000 0.000000 V\n0.635304 0.974030 0.270611 Te\n0.364696 0.025970 0.729390 Te\n0.112132 0.452187 0.224265 Te\n0.887867 0.547813 0.775735 Te\n",
"nsites": 7,
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"density": 6.486955335121271,
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"formula_full": "V3 Te4",
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"formula_anonymous": "A3B4",
"energy_above_hull": 2.682771952380953,
"spacegroup": 12
},
{
"id": "jvasp-118752",
"created_at": "2022-09-04T14:38:50.072906Z",
"updated_at": "2022-09-04T14:38:50.072928Z",
"structure_string": "N1 Cl2\n1.0\n6.171361 0.000000 0.000000\n0.000000 3.759410 0.000000\n0.000000 0.000000 3.136005\nN Cl\n1 2\ndirect\n0.000000 0.274317 0.000000 N\n0.229401 0.022841 0.000000 Cl\n0.770599 0.022841 0.000000 Cl\n",
"nsites": 3,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-N",
"density": 1.9379579862599947,
"density_atomic": 0.0412328984389507,
"volume": 72.75743674536464,
"volume_molar": 14.605184180579403,
"formula_full": "N1 Cl2",
"formula_reduced": "NCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8451804616666665,
"spacegroup": 25
},
{
"id": "jvasp-94800",
"created_at": "2022-09-04T14:35:55.627058Z",
"updated_at": "2022-09-04T14:35:55.627090Z",
"structure_string": "Yb2 Mn2 Sb4\n1.0\n4.301422 0.000000 -0.787037\n-0.144005 4.299012 -0.787037\n-0.283369 -0.293020 10.599168\nYb Mn Sb\n2 2 4\ndirect\n0.879120 0.879120 0.758239 Yb\n0.120880 0.120880 0.241761 Yb\n0.750000 0.250000 0.500000 Mn\n0.250001 0.750000 0.500000 Mn\n0.673978 0.673977 0.347954 Sb\n0.326023 0.326023 0.652045 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.000001 0.500000 -0.000000 Sb\n",
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"formula_full": "Yb2 Mn2 Sb4",
"formula_reduced": "YbMnSb2",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-11156",
"created_at": "2022-09-04T14:37:18.213379Z",
"updated_at": "2022-09-04T14:37:18.213399Z",
"structure_string": "Nd4 As8\n1.0\n0.000000 4.148100 -0.002057\n6.911150 0.000000 0.000000\n0.000000 -3.067313 -10.149540\nNd As\n4 8\ndirect\n0.088516 0.811229 0.359313 Nd\n0.911484 0.311229 0.140687 Nd\n0.911484 0.188771 0.640687 Nd\n0.088517 0.688771 0.859313 Nd\n0.728828 0.876264 0.049714 As\n0.271172 0.376264 0.450286 As\n0.271173 0.123736 0.950286 As\n0.728829 0.623736 0.549714 As\n0.539113 0.358583 0.828967 As\n0.460888 0.858583 0.671033 As\n0.460887 0.641417 0.171033 As\n0.539113 0.141417 0.328967 As\n",
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"density": 6.712298807806572,
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"volume": 291.0120526463587,
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"formula_full": "Nd4 As8",
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"spacegroup": 14
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{
"id": "jvasp-25632",
"created_at": "2022-09-04T14:38:14.754817Z",
"updated_at": "2022-09-04T14:38:14.754845Z",
"structure_string": "K2 Bi2 P4 S12\n1.0\n0.000000 6.654454 -0.027687\n7.394637 0.000000 0.000000\n0.000000 -0.342323 -9.855206\nK Bi P S\n2 2 4 12\ndirect\n0.697042 0.472737 0.497547 K\n0.302958 0.972738 0.502453 K\n0.216037 0.208262 0.016316 Bi\n0.783963 0.708262 0.983685 Bi\n0.315184 0.689091 0.175093 P\n0.804038 0.960414 0.698060 P\n0.684816 0.189090 0.824908 P\n0.195962 0.460413 0.301941 P\n0.912212 0.379550 0.825429 S\n0.832484 0.045610 0.509290 S\n0.057975 0.878592 0.808936 S\n0.647296 0.073542 0.014560 S\n0.408283 0.264674 0.274226 S\n0.167516 0.545610 0.490711 S\n0.352704 0.573542 0.985441 S\n0.591717 0.764674 0.725775 S\n0.087788 0.879550 0.174571 S\n0.577481 0.776423 0.258562 S\n0.942025 0.378591 0.191065 S\n0.422519 0.276423 0.741439 S\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.04123559274125977,
"volume": 485.01788553140585,
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"formula_full": "K2 Bi2 P4 S12",
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{
"id": "jvasp-34172",
"created_at": "2022-09-04T14:37:28.906684Z",
"updated_at": "2022-09-04T14:37:28.906709Z",
"structure_string": "Mg18 Sn10\n1.0\n8.790197 0.048783 -1.092622\n-1.242779 8.702037 -1.092622\n0.042074 0.048783 8.857743\nMg Sn\n18 10\ndirect\n0.650884 0.339203 0.247184 Mg\n0.665132 0.597464 0.968408 Mg\n0.597464 0.968408 0.665133 Mg\n0.989199 0.071543 0.670882 Mg\n0.071543 0.670882 0.989199 Mg\n0.000717 0.918417 0.319099 Mg\n0.918417 0.319099 0.000718 Mg\n0.319098 0.000717 0.918416 Mg\n0.968408 0.665132 0.597464 Mg\n0.670882 0.989200 0.071544 Mg\n0.324804 0.392432 0.021476 Mg\n0.021475 0.324804 0.392432 Mg\n0.742731 0.339031 0.650709 Mg\n0.650709 0.742731 0.339031 Mg\n0.339031 0.650709 0.742731 Mg\n0.247184 0.650884 0.339204 Mg\n0.339203 0.247184 0.650883 Mg\n0.392432 0.021475 0.324804 Mg\n0.244970 0.906870 0.583444 Sn\n0.406510 0.744939 0.083054 Sn\n0.083053 0.406510 0.744938 Sn\n0.744939 0.083053 0.406510 Sn\n0.863124 0.863124 0.863124 Sn\n0.626451 0.626451 0.626452 Sn\n0.126827 0.126827 0.126827 Sn\n0.906870 0.583444 0.244970 Sn\n0.363495 0.363495 0.363495 Sn\n0.583444 0.244970 0.906869 Sn\n",
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],
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"formula_full": "Mg18 Sn10",
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"spacegroup": 148
}
]
}