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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",
"Br",
"N"
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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",
"formula_reduced": "SrIn2Rh",
"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,
"nelements": 3,
"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,
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"elements": [
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],
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"density": 6.486617750585359,
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"volume": 169.78188549446563,
"volume_molar": 14.606434470655346,
"formula_full": "V3 Te4",
"formula_reduced": "V3Te4",
"formula_anonymous": "A3B4",
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"spacegroup": 12
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{
"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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"elements": [
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"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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"elements": [
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"volume": 169.77304995667325,
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"formula_full": "V3 Te4",
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"formula_anonymous": "A3B4",
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"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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"volume": 194.0144142003443,
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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",
"nsites": 12,
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"elements": [
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"density": 6.712298807806572,
"density_atomic": 0.041235405512851875,
"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": 3.44021032020946,
"density_atomic": 0.04123559274125977,
"volume": 485.01788553140585,
"volume_molar": 14.604229888938466,
"formula_full": "K2 Bi2 P4 S12",
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"spacegroup": 4
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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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"volume": 679.0215490602934,
"volume_molar": 14.604154812551187,
"formula_full": "Mg18 Sn10",
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"spacegroup": 148
}
]
}