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{
"id": "jvasp-19359",
"created_at": "2022-09-04T14:38:31.867284Z",
"updated_at": "2022-09-04T14:38:31.867313Z",
"structure_string": "Zn4 Ag2 Sb2 O12\n1.0\n0.000000 5.458489 -0.020605\n7.723585 0.000000 0.000000\n0.000000 -0.707754 -5.497285\nZn Ag Sb O\n4 2 2 12\ndirect\n0.542906 0.250000 0.511712 Zn\n0.457095 0.750000 0.488290 Zn\n0.016042 0.250000 0.058805 Zn\n0.983959 0.750000 0.941196 Zn\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.343241 0.437030 0.659773 O\n0.891547 0.250000 0.399327 O\n0.656760 0.937031 0.340228 O\n0.603660 0.750000 0.874101 O\n0.800489 0.074110 0.878689 O\n0.199512 0.925890 0.121313 O\n0.800489 0.425890 0.878689 O\n0.343241 0.062970 0.659773 O\n0.396342 0.250000 0.125901 O\n0.656760 0.562970 0.340228 O\n0.199512 0.574111 0.121313 O\n0.108454 0.750000 0.600675 O\n",
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"spacegroup": 11
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{
"id": "jvasp-54897",
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"updated_at": "2022-09-04T14:37:27.617738Z",
"structure_string": "Zn3 Te3\n1.0\n2.179218 -3.774520 0.000000\n2.179221 3.774518 -0.000000\n0.000000 0.000000 10.674706\nZn Te\n3 3\ndirect\n0.333477 0.000029 0.693338 Zn\n0.666552 0.666523 0.360005 Zn\n-0.000029 0.333448 0.026672 Zn\n0.333271 -0.000106 0.443329 Te\n0.000106 0.333376 0.776662 Te\n0.666623 0.666729 0.109995 Te\n",
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"elements": [
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"volume": 175.60970386195484,
"volume_molar": 17.625772591310128,
"formula_full": "Zn3 Te3",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-8200",
"created_at": "2022-09-04T14:38:04.756842Z",
"updated_at": "2022-09-04T14:38:04.756859Z",
"structure_string": "Zn3 Te3\n1.0\n2.167457 -3.754145 -0.000000\n2.167457 3.754145 -0.000000\n-0.000000 -0.000000 9.801850\nZn Te\n3 3\ndirect\n0.000000 0.500226 0.666667 Zn\n0.500226 0.000000 0.333333 Zn\n0.499776 0.499776 0.000000 Zn\n0.000000 0.500064 0.166667 Te\n0.500064 0.000000 0.833333 Te\n0.499937 0.499937 0.500000 Te\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Te-Zn",
"density": 6.027654235676189,
"density_atomic": 0.03761418614924331,
"volume": 159.51428474867328,
"volume_molar": 16.010291266453862,
"formula_full": "Zn3 Te3",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.06408,
"spacegroup": 181
},
{
"id": "jvasp-94282",
"created_at": "2022-09-04T14:35:47.482858Z",
"updated_at": "2022-09-04T14:35:47.482870Z",
"structure_string": "Zn3 Te3\n1.0\n-2.167402 -3.754050 0.000000\n-2.167402 3.754050 -0.000000\n0.000000 -0.000000 -9.802098\nZn Te\n3 3\ndirect\n0.499706 0.499706 0.666633 Zn\n0.500293 -0.000000 0.999967 Zn\n-0.000000 0.500293 0.333300 Zn\n0.499852 0.499852 0.166633 Te\n0.500148 -0.000000 0.499967 Te\n-0.000000 0.500148 0.833300 Te\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Te"
],
"chemical_system": "Te-Zn",
"density": 6.027807221517951,
"density_atomic": 0.03761514082210696,
"volume": 159.51023627362613,
"volume_molar": 16.009884925010578,
"formula_full": "Zn3 Te3",
"formula_reduced": "ZnTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.06408,
"spacegroup": 181
},
{
"id": "jvasp-25012",
"created_at": "2022-09-04T14:37:50.685873Z",
"updated_at": "2022-09-04T14:37:50.685892Z",
"structure_string": "Zn3 Te1 As2 Pb3 O14\n1.0\n4.304747 -7.456040 0.000000\n4.304747 7.456040 -0.000000\n0.000000 -0.000000 5.290246\nZn Te As Pb O\n3 1 2 3 14\ndirect\n0.240798 0.000000 0.500000 Zn\n0.759202 0.759202 0.500000 Zn\n0.000000 0.240798 0.500000 Zn\n0.000000 0.000000 0.000000 Te\n0.333333 0.666667 0.546134 As\n0.666667 0.333333 0.453867 As\n0.596509 0.000000 0.000000 Pb\n0.403491 0.403491 0.000000 Pb\n0.000000 0.596509 0.000000 Pb\n0.213433 0.125483 0.786770 O\n0.333333 0.666667 0.223589 O\n0.786567 0.912051 0.213231 O\n0.183583 0.461897 0.680133 O\n0.874517 0.087950 0.786770 O\n0.666667 0.333333 0.776411 O\n0.125483 0.213433 0.213231 O\n0.087950 0.874517 0.213231 O\n0.278314 0.816417 0.680133 O\n0.816417 0.278314 0.319868 O\n0.461897 0.183583 0.319868 O\n0.538104 0.721687 0.680133 O\n0.912051 0.786567 0.786770 O\n0.721687 0.538104 0.319868 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
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"As",
"Pb",
"O"
],
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"density": 6.450871046443833,
"density_atomic": 0.06772766633836598,
"volume": 339.59534180747477,
"volume_molar": 8.891699781760549,
"formula_full": "Zn3 Te1 As2 Pb3 O14",
"formula_reduced": "Zn3TeAs2Pb3O14",
"formula_anonymous": "AB2C3D3E14",
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"spacegroup": 150
},
{
"id": "jvasp-82130",
"created_at": "2022-09-04T14:37:15.545619Z",
"updated_at": "2022-09-04T14:37:15.545640Z",
"structure_string": "Zn3 Sn1\n1.0\n-2.132135 2.132135 4.177206\n2.132135 -2.132135 4.177206\n2.132135 2.132135 -4.177206\nZn Sn\n3 1\ndirect\n0.749999 0.250000 0.499999 Zn\n0.250000 0.749999 0.499999 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Sn\n",
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"elements": [
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"Sn"
],
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"density": 6.884897840097579,
"density_atomic": 0.05266046723708666,
"volume": 75.95830819334167,
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"formula_full": "Zn3 Sn1",
"formula_reduced": "Zn3Sn",
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"spacegroup": 139
},
{
"id": "jvasp-85123",
"created_at": "2022-09-04T14:37:09.792623Z",
"updated_at": "2022-09-04T14:37:09.792638Z",
"structure_string": "Zn3 Sn1\n1.0\n-2.132135 2.132135 4.177206\n2.132135 -2.132135 4.177206\n2.132135 2.132135 -4.177206\nZn Sn\n3 1\ndirect\n0.749999 0.250000 0.499999 Zn\n0.250000 0.749999 0.499999 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Sn\n",
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"elements": [
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"Sn"
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"density": 6.884897840097579,
"density_atomic": 0.05266046723708666,
"volume": 75.95830819334167,
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"formula_full": "Zn3 Sn1",
"formula_reduced": "Zn3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-110484",
"created_at": "2022-09-04T14:38:40.043776Z",
"updated_at": "2022-09-04T14:38:40.043803Z",
"structure_string": "Zn3 Si1\n1.0\n3.618156 0.000228 -3.259684\n-0.716518 3.546499 -3.259684\n-0.000186 -0.000228 4.869969\nZn Si\n3 1\ndirect\n0.750000 0.250000 0.500001 Zn\n0.249999 0.750000 0.500001 Zn\n0.500000 0.500000 0.000001 Zn\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.961026475653514,
"density_atomic": 0.06401451639632709,
"volume": 62.48582704640263,
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"formula_full": "Zn3 Si1",
"formula_reduced": "Zn3Si",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"id": "jvasp-80104",
"created_at": "2022-09-04T14:37:05.724163Z",
"updated_at": "2022-09-04T14:37:05.724191Z",
"structure_string": "Zn3 Sb1\n1.0\n-2.106037 2.106037 4.389661\n2.106037 -2.106037 4.389661\n2.106037 2.106037 -4.389661\nZn Sb\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 Sb\n",
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"elements": [
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"density_atomic": 0.0513614202076117,
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"spacegroup": 139
},
{
"id": "jvasp-22582",
"created_at": "2022-09-04T14:37:00.340383Z",
"updated_at": "2022-09-04T14:37:00.340409Z",
"structure_string": "Zn3 S3\n1.0\n3.768833 0.004571 8.936394\n1.811034 3.305190 8.936394\n0.007705 0.004571 9.698617\nZn S\n3 3\ndirect\n0.999991 0.999991 0.999991 Zn\n0.222337 0.222337 0.222337 Zn\n0.444611 0.444611 0.444611 Zn\n0.083215 0.083215 0.083215 S\n0.527811 0.527811 0.527812 S\n0.305360 0.305360 0.305360 S\n",
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"volume": 120.42532709666972,
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},
{
"id": "jvasp-41492",
"created_at": "2022-09-04T14:37:46.017815Z",
"updated_at": "2022-09-04T14:37:46.017834Z",
"structure_string": "Zn3 Rh1\n1.0\n-1.855531 1.855531 4.083763\n1.855531 -1.855531 4.083763\n1.855531 1.855531 -4.083763\nZn Rh\n3 1\ndirect\n0.750000 0.250001 0.500000 Zn\n0.250001 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Rh\n",
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"volume": 56.24150712993813,
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"spacegroup": 139
},
{
"id": "jvasp-41499",
"created_at": "2022-09-04T14:37:44.181150Z",
"updated_at": "2022-09-04T14:37:44.181176Z",
"structure_string": "Zn3 Pt1\n1.0\n-1.896588 1.896588 4.038204\n1.896588 -1.896588 4.038204\n1.896588 1.896588 -4.038204\nZn Pt\n3 1\ndirect\n0.749998 0.250000 0.499999 Zn\n0.250000 0.749998 0.499999 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Pt\n",
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}
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}