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{
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"results": [
{
"id": "jvasp-20270",
"created_at": "2022-09-04T14:37:59.355450Z",
"updated_at": "2022-09-04T14:37:59.355474Z",
"structure_string": "Mg24 As16\n1.0\n10.140058 -0.000000 -3.585052\n-5.070028 8.781548 -3.585052\n0.000000 0.000000 10.755155\nMg As\n24 16\ndirect\n0.024415 0.492705 0.758841 Mg\n0.531710 0.524416 0.765576 Mg\n0.241160 0.975585 0.507295 Mg\n0.734425 0.258840 0.766137 Mg\n0.968290 0.733864 0.992706 Mg\n0.258840 0.766136 0.734425 Mg\n0.992705 0.968290 0.733865 Mg\n0.524415 0.765575 0.531711 Mg\n0.765575 0.531710 0.524416 Mg\n0.733864 0.992706 0.968291 Mg\n0.766136 0.734425 0.258841 Mg\n0.975585 0.507295 0.241160 Mg\n0.507295 0.241160 0.975585 Mg\n0.007295 0.031710 0.266136 Mg\n0.475585 0.234425 0.468290 Mg\n0.233864 0.265575 0.741160 Mg\n0.266136 0.007295 0.031710 Mg\n0.468290 0.475585 0.234425 Mg\n0.234425 0.468290 0.475585 Mg\n0.265575 0.741160 0.233864 Mg\n0.031710 0.266136 0.007295 Mg\n0.492705 0.758840 0.024416 Mg\n0.741160 0.233864 0.265575 Mg\n0.758840 0.024415 0.492706 Mg\n0.500000 0.000000 0.000000 As\n0.227894 0.977894 0.250000 As\n-0.000000 0.500000 0.000000 As\n0.250000 0.227894 0.977895 As\n0.272106 0.522106 0.750001 As\n0.522106 0.750000 0.272106 As\n0.977894 0.250000 0.227894 As\n0.772106 0.022106 0.750001 As\n0.750000 0.772106 0.022106 As\n0.727894 0.477894 0.250000 As\n0.477894 0.250000 0.727895 As\n0.022106 0.750000 0.772107 As\n0.250000 0.727894 0.477895 As\n-0.000000 -0.000000 0.500000 As\n0.750000 0.272106 0.522106 As\n0.500000 0.500000 0.500000 As\n",
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"formula_full": "Mg24 As16",
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},
{
"id": "jvasp-118605",
"created_at": "2022-09-04T14:38:51.238183Z",
"updated_at": "2022-09-04T14:38:51.238214Z",
"structure_string": "Li1 Nb1 Te1\n1.0\n7.826401 -1.233909 0.000000\n-0.923477 3.421819 0.000000\n0.000000 0.000000 2.801518\nLi Nb Te\n1 1 1\ndirect\n0.463621 -0.017229 0.000000 Li\n-0.218981 -0.224467 0.000000 Nb\n0.078788 0.547241 0.000000 Te\n",
"nsites": 3,
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"elements": [
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],
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"density": 5.257762500448061,
"density_atomic": 0.04176304761737397,
"volume": 71.83383807344465,
"volume_molar": 14.419782806977699,
"formula_full": "Li1 Nb1 Te1",
"formula_reduced": "LiNbTe",
"formula_anonymous": "ABC",
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"spacegroup": 6
},
{
"id": "jvasp-97515",
"created_at": "2022-09-04T14:36:12.475798Z",
"updated_at": "2022-09-04T14:36:12.475833Z",
"structure_string": "Tm4 Cu12 Te12\n1.0\n6.907713 0.000000 0.000000\n0.000000 7.587106 0.000000\n0.000000 0.000000 12.792779\nTm Cu Te\n4 12 12\ndirect\n0.243295 0.750007 0.161622 Tm\n0.743294 0.249993 0.338378 Tm\n0.743294 0.249993 0.661622 Tm\n0.243295 0.750007 0.838378 Tm\n0.622202 0.618630 0.674686 Cu\n0.864499 0.881405 0.674678 Cu\n0.122203 0.381371 0.174686 Cu\n0.864499 0.881405 0.325323 Cu\n0.622202 0.618630 0.325314 Cu\n0.364499 0.118596 0.825323 Cu\n0.868945 0.876300 0.000000 Cu\n0.117925 0.376441 0.500000 Cu\n0.122203 0.381371 0.825314 Cu\n0.617925 0.623560 0.000000 Cu\n0.364499 0.118596 0.174677 Cu\n0.368945 0.123701 0.500000 Cu\n0.011869 0.566411 0.662452 Te\n0.487770 0.950298 0.000000 Te\n0.474749 0.933571 0.337570 Te\n-0.001069 0.549571 0.000000 Te\n0.498931 0.450430 0.500000 Te\n0.974748 0.066430 0.837571 Te\n0.987770 0.049703 0.500000 Te\n0.011869 0.566411 0.337549 Te\n0.974748 0.066430 0.162430 Te\n0.511868 0.433589 0.837549 Te\n0.511868 0.433589 0.162452 Te\n0.474749 0.933571 0.662430 Te\n",
"nsites": 28,
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"elements": [
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"Te"
],
"chemical_system": "Cu-Te-Tm",
"density": 7.354539089306971,
"density_atomic": 0.04176213539192711,
"volume": 670.463800215843,
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"formula_full": "Tm4 Cu12 Te12",
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"formula_anonymous": "AB3C3",
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},
{
"id": "jvasp-8816",
"created_at": "2022-09-04T14:36:42.559582Z",
"updated_at": "2022-09-04T14:36:42.559598Z",
"structure_string": "Ag3 Au1 S2\n1.0\n5.205971 -0.271068 -0.085865\n0.595012 5.198963 -0.133593\n0.359552 -0.179837 5.274729\nAg Au S\n3 1 2\ndirect\n0.749485 0.665639 0.081395 Ag\n0.353590 0.061652 0.293658 Ag\n-0.041502 0.271151 0.687803 Ag\n0.354579 0.667372 0.687302 Au\n0.085522 -0.063700 -0.041616 S\n0.623325 0.397883 0.416463 S\n",
"nsites": 6,
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"volume": 143.6723687624546,
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"formula_full": "Ag3 Au1 S2",
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"formula_anonymous": "AB2C3",
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"spacegroup": 155
},
{
"id": "jvasp-74821",
"created_at": "2022-09-04T14:36:17.522279Z",
"updated_at": "2022-09-04T14:36:17.522306Z",
"structure_string": "Be1 Cd4 Te1\n1.0\n0.000000 4.157019 4.157019\n4.157019 0.000000 4.157019\n4.157019 4.157019 -0.000000\nBe Cd Te\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.122946 0.625685 0.625685 Cd\n0.625685 0.625685 0.625685 Cd\n0.625685 0.122946 0.625685 Cd\n0.625685 0.625685 0.122946 Cd\n0.250000 0.250000 0.250000 Te\n",
"nsites": 6,
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"Cd",
"Te"
],
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"density_atomic": 0.04176141700282455,
"volume": 143.67328578899006,
"volume_molar": 14.420345841216765,
"formula_full": "Be1 Cd4 Te1",
"formula_reduced": "BeCd4Te",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-56213",
"created_at": "2022-09-04T14:37:29.751803Z",
"updated_at": "2022-09-04T14:37:29.751827Z",
"structure_string": "Sr2 Zn4\n1.0\n4.350909 0.000000 1.883170\n2.164397 5.505061 0.967131\n-0.011249 0.010210 5.993783\nSr Zn\n2 4\ndirect\n0.953411 0.796590 0.296589 Sr\n0.046590 0.203410 0.703410 Sr\n0.334971 0.224866 0.105193 Zn\n0.665030 0.775134 0.894806 Zn\n0.334971 0.605193 0.724866 Zn\n0.665030 0.394807 0.275134 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Zn"
],
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"density": 5.049118542646312,
"density_atomic": 0.04175990796690592,
"volume": 143.67847756644738,
"volume_molar": 14.420866934794141,
"formula_full": "Sr2 Zn4",
"formula_reduced": "SrZn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1701861904761905,
"spacegroup": 74
},
{
"id": "jvasp-118702",
"created_at": "2022-09-04T14:38:28.357953Z",
"updated_at": "2022-09-04T14:38:28.357984Z",
"structure_string": "Mg1 Sb1 O1\n1.0\n3.185271 -0.000000 -0.000000\n-0.000000 3.185271 -0.000000\n-0.000000 0.000000 7.080685\nMg Sb O\n1 1 1\ndirect\n0.000000 0.000000 0.463327 Mg\n0.000000 0.000000 -0.005868 Sb\n0.000000 0.000000 0.722751 O\n",
"nsites": 3,
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"elements": [
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"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 3.7460077681507817,
"density_atomic": 0.041759299529668496,
"volume": 71.84028548823255,
"volume_molar": 14.421077048290725,
"formula_full": "Mg1 Sb1 O1",
"formula_reduced": "MgSbO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7166495500000002,
"spacegroup": 99
},
{
"id": "jvasp-67782",
"created_at": "2022-09-04T14:35:48.645697Z",
"updated_at": "2022-09-04T14:35:48.645713Z",
"structure_string": "Be1 Ga1 Te1\n1.0\n-1.810067 1.810067 5.481763\n1.810067 -1.810067 5.481763\n1.810067 1.810067 -5.481763\nBe Ga Te\n1 1 1\ndirect\n0.108845 0.108845 0.000000 Be\n0.321638 0.321638 0.000000 Ga\n0.569517 0.569517 0.000000 Te\n",
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"volume": 71.84053334282262,
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"formula_full": "Be1 Ga1 Te1",
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"spacegroup": 107
},
{
"id": "jvasp-92240",
"created_at": "2022-09-04T14:35:49.643541Z",
"updated_at": "2022-09-04T14:35:49.643557Z",
"structure_string": "Na2 Bi2 S4\n1.0\n6.632277 0.000114 4.689283\n3.269804 4.049114 9.445778\n-0.046286 -0.000080 7.100991\nNa Bi S\n2 2 4\ndirect\n0.000499 0.999156 0.998752 Na\n0.750396 0.499111 0.998794 Na\n0.237334 0.499108 -0.001200 Bi\n0.487355 0.999135 -0.001212 Bi\n0.022285 0.484968 0.500831 S\n0.495964 0.513405 0.496589 S\n0.258025 0.013339 0.472473 S\n0.760159 0.984871 0.525114 S\n",
"nsites": 8,
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"elements": [
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],
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"density": 5.133064743690706,
"density_atomic": 0.04175889328607587,
"volume": 191.57595832807976,
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"formula_full": "Na2 Bi2 S4",
"formula_reduced": "NaBiS2",
"formula_anonymous": "ABC2",
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"spacegroup": 43
},
{
"id": "jvasp-16055",
"created_at": "2022-09-04T14:36:21.975527Z",
"updated_at": "2022-09-04T14:36:21.975537Z",
"structure_string": "Sr2 As2 Pt2\n1.0\n2.156723 -3.735554 -0.000000\n2.156723 3.735554 -0.000000\n-0.000000 -0.000000 8.917113\nSr As Pt\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.750000 As\n0.666666 0.333332 0.250000 As\n0.333332 0.666666 0.250000 Pt\n0.666666 0.333332 0.750000 Pt\n",
"nsites": 6,
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"elements": [
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],
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"volume": 143.6824267451339,
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-38040",
"created_at": "2022-09-04T14:37:54.008760Z",
"updated_at": "2022-09-04T14:37:54.008791Z",
"structure_string": "Ca6 In2 N1 F1\n1.0\n0.000002 4.928797 4.928806\n4.928797 0.000003 4.928805\n4.928802 4.928801 -0.000001\nCa In N F\n6 2 1 1\ndirect\n0.240744 0.759256 0.759256 Ca\n0.240744 0.759256 0.240745 Ca\n0.759256 0.240744 0.759255 Ca\n0.759255 0.759255 0.240746 Ca\n0.240745 0.240745 0.759255 Ca\n0.759255 0.240745 0.240744 Ca\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
"nsites": 10,
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],
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"volume": 239.4714584836866,
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"formula_full": "Ca6 In2 N1 F1",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-117826",
"created_at": "2022-09-04T14:38:28.825215Z",
"updated_at": "2022-09-04T14:38:28.825238Z",
"structure_string": "Br2 O1\n1.0\n4.014662 0.863785 -0.563438\n-1.566409 -4.009490 0.643756\n-0.455236 3.552678 -5.230236\nBr O\n2 1\ndirect\n0.328530 0.543823 0.642600 Br\n0.924009 0.296376 0.131974 Br\n-0.081567 0.014141 0.269057 O\n",
"nsites": 3,
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}
]
}