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{
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"results": [
{
"id": "jvasp-18861",
"created_at": "2022-09-04T14:36:57.712728Z",
"updated_at": "2022-09-04T14:36:57.712754Z",
"structure_string": "Tb2 Ag2 Pb2\n1.0\n2.399980 -4.156887 0.000000\n2.399980 4.156887 -0.000000\n-0.000000 0.000000 7.503881\nTb Ag Pb\n2 2 2\ndirect\n0.000000 0.000000 0.997245 Tb\n0.000000 0.000000 0.497245 Tb\n0.666667 0.333333 0.680474 Ag\n0.333333 0.666667 0.180474 Ag\n0.333333 0.666667 0.777080 Pb\n0.666667 0.333333 0.277080 Pb\n",
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{
"id": "jvasp-110434",
"created_at": "2022-09-04T14:38:38.843235Z",
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"structure_string": "Ho1 Tm1 Cd2\n1.0\n4.509433 0.000000 2.603523\n1.503144 4.251534 2.603523\n-0.000000 0.000000 5.207045\nHo Tm Cd\n1 1 2\ndirect\n0.499999 0.499999 0.500001 Ho\n0.000000 0.000000 0.000000 Tm\n0.749999 0.749999 0.750001 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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{
"id": "jvasp-35035",
"created_at": "2022-09-04T14:37:29.556049Z",
"updated_at": "2022-09-04T14:37:29.556067Z",
"structure_string": "Pr2 Sb2 Pt2\n1.0\n2.294966 -3.974998 0.000000\n2.294966 3.974998 0.000000\n0.000000 0.000000 8.207527\nPr Sb Pt\n2 2 2\ndirect\n0.000000 0.000000 0.251221 Pr\n0.000000 0.000000 0.751222 Pr\n0.666668 0.333334 0.012538 Sb\n0.333334 0.666668 0.512538 Sb\n0.666668 0.333334 0.462241 Pt\n0.333334 0.666668 0.962241 Pt\n",
"nsites": 6,
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"elements": [
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"Sb",
"Pt"
],
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"density_atomic": 0.040067824634326725,
"volume": 149.7460881582203,
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"formula_full": "Pr2 Sb2 Pt2",
"formula_reduced": "PrSbPt",
"formula_anonymous": "ABC",
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"spacegroup": 186
},
{
"id": "jvasp-15437",
"created_at": "2022-09-04T14:36:05.921892Z",
"updated_at": "2022-09-04T14:36:05.921912Z",
"structure_string": "Pr2 Sc2 Ge2\n1.0\n4.183553 -0.000000 -1.095193\n-0.286705 4.173718 -1.095193\n0.008743 0.009364 8.571423\nPr Sc Ge\n2 2 2\ndirect\n0.676551 0.676553 0.353106 Pr\n0.323446 0.323447 0.646894 Pr\n-0.000001 0.500000 0.000000 Sc\n0.500000 -0.000000 0.000000 Sc\n0.121965 0.121966 0.243931 Ge\n0.878032 0.878034 0.756069 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Sc",
"Ge"
],
"chemical_system": "Ge-Pr-Sc",
"density": 5.7329135570763485,
"density_atomic": 0.04006646424959935,
"volume": 149.75117251730038,
"volume_molar": 15.030377331237107,
"formula_full": "Pr2 Sc2 Ge2",
"formula_reduced": "PrScGe",
"formula_anonymous": "ABC",
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"spacegroup": 139
},
{
"id": "jvasp-99690",
"created_at": "2022-09-04T14:36:38.434467Z",
"updated_at": "2022-09-04T14:36:38.434486Z",
"structure_string": "Na3 Ga1 Cl6\n1.0\n6.120340 -0.000000 3.533580\n2.040114 5.770312 3.533580\n-0.000000 -0.000000 7.067160\nNa Ga Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.763370 0.236630 0.236630 Cl\n0.236630 0.236630 0.763370 Cl\n0.236630 0.763370 0.763370 Cl\n0.236630 0.763370 0.236630 Cl\n0.763370 0.236630 0.763370 Cl\n0.763370 0.763370 0.236630 Cl\n",
"nsites": 10,
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"elements": [
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"Ga",
"Cl"
],
"chemical_system": "Cl-Ga-Na",
"density": 2.3379963298073223,
"density_atomic": 0.040066391580463705,
"volume": 249.5857402061627,
"volume_molar": 15.030404592103034,
"formula_full": "Na3 Ga1 Cl6",
"formula_reduced": "Na3GaCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-68695",
"created_at": "2022-09-04T14:35:56.352494Z",
"updated_at": "2022-09-04T14:35:56.352518Z",
"structure_string": "Be1 In2 Cl1\n1.0\n-2.068904 2.068904 5.830993\n2.068904 -2.068904 5.830993\n2.068904 2.068904 -5.830993\nBe In Cl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 In\n0.250000 0.749999 0.499999 In\n0.749999 0.250000 0.499999 Cl\n",
"nsites": 4,
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"elements": [
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"volume": 99.83508451641666,
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"formula_full": "Be1 In2 Cl1",
"formula_reduced": "BeIn2Cl",
"formula_anonymous": "ABC2",
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"spacegroup": 119
},
{
"id": "jvasp-67626",
"created_at": "2022-09-04T14:36:03.746188Z",
"updated_at": "2022-09-04T14:36:03.746217Z",
"structure_string": "Be1 Tl1 Bi1\n1.0\n-1.700400 1.700400 6.474191\n1.700400 -1.700400 6.474191\n1.700400 1.700400 -6.474191\nBe Tl Bi\n1 1 1\ndirect\n0.989213 0.989213 0.000000 Be\n0.640052 0.640052 0.000000 Tl\n0.370733 0.370733 0.000000 Bi\n",
"nsites": 3,
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"elements": [
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],
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"density": 9.366999941411894,
"density_atomic": 0.04006577641115507,
"volume": 74.87687170252224,
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"formula_full": "Be1 Tl1 Bi1",
"formula_reduced": "BeTlBi",
"formula_anonymous": "ABC",
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"spacegroup": 107
},
{
"id": "jvasp-82066",
"created_at": "2022-09-04T14:37:16.806373Z",
"updated_at": "2022-09-04T14:37:16.806401Z",
"structure_string": "Sc2 Hg1 Pt1\n1.0\n-12.027820 -0.000000 -6.944266\n-7.334995 -0.455363 -1.183947\n-6.239611 2.642848 -3.081207\nSc Hg Pt\n2 1 1\ndirect\n0.818118 -0.000001 -0.000000 Sc\n0.181883 -0.000000 -0.000000 Sc\n0.500000 -0.000001 -0.000000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 8.076557075771051,
"density_atomic": 0.040065554782979476,
"volume": 99.83638119243685,
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"formula_full": "Sc2 Hg1 Pt1",
"formula_reduced": "Sc2HgPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.545606625,
"spacegroup": 139
},
{
"id": "jvasp-98737",
"created_at": "2022-09-04T14:36:02.270387Z",
"updated_at": "2022-09-04T14:36:02.270408Z",
"structure_string": "Mn4 Tl4 Cl12\n1.0\n7.047352 -0.000000 0.000000\n0.000000 7.045364 0.000000\n0.000000 0.000000 10.054376\nMn Tl Cl\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.970927 0.004698 0.750000 Tl\n0.529073 0.504698 0.250000 Tl\n0.029073 0.995301 0.250000 Tl\n0.470927 0.495301 0.750000 Tl\n0.499726 0.045768 0.250000 Cl\n-0.000274 0.454232 0.250000 Cl\n0.716694 0.283461 0.522847 Cl\n0.716694 0.283461 0.977153 Cl\n0.216694 0.216539 0.522847 Cl\n0.783305 0.783461 0.022847 Cl\n0.283306 0.716539 0.477153 Cl\n0.283306 0.716539 0.022847 Cl\n0.783305 0.783461 0.477153 Cl\n0.216694 0.216539 0.977153 Cl\n0.500273 0.954231 0.750000 Cl\n0.000274 0.545768 0.750000 Cl\n",
"nsites": 20,
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"elements": [
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],
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"density": 4.865485520102556,
"density_atomic": 0.04006318507209497,
"volume": 499.21143224157953,
"volume_molar": 15.03160756979997,
"formula_full": "Mn4 Tl4 Cl12",
"formula_reduced": "MnTlCl3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-37440",
"created_at": "2022-09-04T14:38:00.787034Z",
"updated_at": "2022-09-04T14:38:00.787064Z",
"structure_string": "Y1 Lu1 Cd2\n1.0\n0.000000 3.682103 3.682103\n3.682103 -0.000000 3.682103\n3.682103 3.682103 -0.000000\nY Lu Cd\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Y\n0.250000 0.250000 0.250000 Lu\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Cd\n",
"nsites": 4,
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"volume": 99.84303967300822,
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"formula_full": "Y1 Lu1 Cd2",
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},
{
"id": "jvasp-40305",
"created_at": "2022-09-04T14:37:49.403442Z",
"updated_at": "2022-09-04T14:37:49.403455Z",
"structure_string": "Ca1 In1 Hg2\n1.0\n-0.000330 3.681941 3.681941\n3.681941 -0.000330 3.681941\n3.681941 3.681941 -0.000330\nCa In Hg\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ca\n0.750002 0.750002 0.750002 In\n-0.000011 -0.000011 -0.000011 Hg\n0.500010 0.500010 0.500010 Hg\n",
"nsites": 4,
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"volume": 99.84328311360213,
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"formula_full": "Ca1 In1 Hg2",
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},
{
"id": "jvasp-14160",
"created_at": "2022-09-04T14:36:58.177233Z",
"updated_at": "2022-09-04T14:36:58.177259Z",
"structure_string": "Sn4 Ge4 S12\n1.0\n0.000000 6.930911 -0.084400\n10.205039 0.000000 0.000000\n0.000000 -2.004348 -7.034067\nSn Ge S\n4 4 12\ndirect\n0.727752 0.417131 0.873392 Sn\n0.772248 0.917131 0.126609 Sn\n0.272248 0.582869 0.126609 Sn\n0.227752 0.082869 0.873392 Sn\n0.001809 0.707413 0.679001 Ge\n0.501808 0.792587 0.679001 Ge\n0.998191 0.292587 0.320999 Ge\n0.498191 0.207413 0.320999 Ge\n0.421731 0.322671 0.053714 S\n0.078269 0.822671 0.946287 S\n0.587109 0.996899 0.775086 S\n0.912891 0.496899 0.224914 S\n0.412891 0.003101 0.224914 S\n0.183679 0.787606 0.485602 S\n0.816321 0.212394 0.514399 S\n0.316321 0.287606 0.514399 S\n0.578269 0.677329 0.946287 S\n0.921731 0.177329 0.053714 S\n0.087109 0.503101 0.775086 S\n0.683679 0.712394 0.485602 S\n",
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}