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{
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"results": [
{
"id": "jvasp-34203",
"created_at": "2022-09-04T14:37:07.810703Z",
"updated_at": "2022-09-04T14:37:07.810730Z",
"structure_string": "Li2 C4 O4\n1.0\n3.260189 0.028512 -0.356309\n-0.845816 5.629740 -1.721428\n0.041553 -0.000437 5.947348\nLi C O\n2 4 4\ndirect\n0.499999 0.355138 0.644861 Li\n0.499999 0.644861 0.355138 Li\n0.000000 0.108709 0.891290 C\n0.167103 0.138938 0.138938 C\n-0.000000 0.891290 0.108709 C\n0.832892 0.861061 0.861062 C\n0.631119 0.693280 0.693280 O\n-0.000001 0.758933 0.241067 O\n-0.000002 0.241067 0.758933 O\n0.368880 0.306719 0.306719 O\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.09142449473405408,
"volume": 109.37987712252753,
"volume_molar": 6.587010163433645,
"formula_full": "Li2 C4 O4",
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{
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"updated_at": "2022-09-04T14:37:07.297112Z",
"structure_string": "Eu1 Co2 As2\n1.0\n3.819204 -0.000015 -1.235063\n-0.399497 3.798175 -1.235242\n-0.235459 -0.261122 5.794486\nEu Co As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.249993 0.749953 0.500000 Co\n0.750005 0.250045 0.500001 Co\n0.367561 0.367502 0.735119 As\n0.632437 0.632496 0.264882 As\n",
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"elements": [
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"spacegroup": 139
},
{
"id": "jvasp-60063",
"created_at": "2022-09-04T14:37:33.242186Z",
"updated_at": "2022-09-04T14:37:33.242204Z",
"structure_string": "Si16 N16 O8\n1.0\n5.360716 0.000000 -1.226025\n-0.280399 5.353377 -1.226025\n-0.002899 -0.003054 12.320029\nSi N O\n16 16 8\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.956112 0.206112 0.412222 Si\n0.706112 0.456113 0.912222 Si\n0.043888 0.793889 0.587777 Si\n0.293888 0.543889 0.087777 Si\n0.331890 0.332104 0.664206 Si\n0.832104 0.831890 0.164206 Si\n0.832104 0.332318 0.164206 Si\n0.167682 0.667897 0.335793 Si\n0.668111 0.667897 0.335793 Si\n0.167897 0.667683 0.835793 Si\n0.167897 0.168111 0.835793 Si\n0.832318 0.332104 0.664206 Si\n0.500000 0.500001 0.500000 Si\n0.262426 0.749396 0.498790 N\n0.087201 0.573880 0.674402 N\n0.249396 0.762427 0.998790 N\n0.399477 0.412800 0.825597 N\n0.249396 0.236366 0.998790 N\n0.263635 0.250605 0.501209 N\n0.736366 0.749396 0.498790 N\n0.750605 0.763635 0.001209 N\n0.912799 0.899478 0.325597 N\n0.912799 0.426121 0.325597 N\n0.073879 0.587202 0.174402 N\n0.600523 0.587202 0.174402 N\n0.750605 0.237574 0.001209 N\n0.087201 0.100524 0.674403 N\n0.926121 0.412800 0.825597 N\n0.737574 0.250605 0.501209 N\n0.576535 0.541464 0.653068 O\n0.958537 0.923467 0.846931 O\n0.423466 0.458537 0.346931 O\n0.423466 0.888396 0.346931 O\n0.611606 0.076534 0.153068 O\n0.576535 0.111606 0.653068 O\n0.041463 0.076534 0.153069 O\n0.388395 0.923467 0.846931 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Si",
"N",
"O"
],
"chemical_system": "N-O-Si",
"density": 3.764640814994613,
"density_atomic": 0.11314801847490992,
"volume": 353.51922675402244,
"volume_molar": 5.322356362197702,
"formula_full": "Si16 N16 O8",
"formula_reduced": "Si2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.73209344,
"spacegroup": 141
},
{
"id": "jvasp-29804",
"created_at": "2022-09-04T14:37:29.931643Z",
"updated_at": "2022-09-04T14:37:29.931668Z",
"structure_string": "Cd1 H2 O2\n1.0\n3.823333 -0.000242 0.000017\n-1.911876 3.311467 -0.000000\n-0.000006 -0.000003 4.215459\nCd H O\n1 2 2\ndirect\n0.999982 0.999994 0.974326 Cd\n0.666725 0.333363 0.015598 H\n0.333331 0.666668 0.443118 H\n0.666632 0.333318 0.781446 O\n0.333326 0.666664 0.210865 O\n",
"nsites": 5,
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"elements": [
"Cd",
"H",
"O"
],
"chemical_system": "Cd-H-O",
"density": 4.555906384694549,
"density_atomic": 0.09368680940219874,
"volume": 53.369306009076816,
"volume_molar": 6.427949461003489,
"formula_full": "Cd1 H2 O2",
"formula_reduced": "Cd(HO)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 156
},
{
"id": "jvasp-21812",
"created_at": "2022-09-04T14:37:29.767938Z",
"updated_at": "2022-09-04T14:37:29.767953Z",
"structure_string": "Lu4 In2 Pd4\n1.0\n7.661100 0.000000 0.000000\n0.000000 7.661100 0.000000\n0.000000 0.000000 3.558666\nLu In Pd\n4 2 4\ndirect\n0.329805 0.829805 0.500001 Lu\n0.829805 0.670195 0.500001 Lu\n0.170195 0.329805 0.500001 Lu\n0.670195 0.170195 0.500001 Lu\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 In\n0.370557 0.129443 0.000000 Pd\n0.870557 0.370557 0.000000 Pd\n0.129443 0.629443 0.000000 Pd\n0.629443 0.870557 0.000000 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"In",
"Pd"
],
"chemical_system": "In-Lu-Pd",
"density": 10.774022335307906,
"density_atomic": 0.04787739456563109,
"volume": 208.8668376950179,
"volume_molar": 12.578254966954718,
"formula_full": "Lu4 In2 Pd4",
"formula_reduced": "Lu2InPd2",
"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-29867",
"created_at": "2022-09-04T14:37:11.484942Z",
"updated_at": "2022-09-04T14:37:11.484967Z",
"structure_string": "Ni1 H2 O2\n1.0\n0.454947 0.262663 4.437289\n-2.683084 0.272081 4.758619\n-1.105912 -2.459659 4.758619\nNi H O\n1 2 2\ndirect\n0.000001 0.887289 0.112710 Ni\n0.222990 0.553968 0.779368 H\n0.777012 0.220631 0.446032 H\n0.442089 0.553959 0.779376 O\n0.557913 0.220623 0.446040 O\n",
"nsites": 5,
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"elements": [
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"H",
"O"
],
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"density": 3.998139333321941,
"density_atomic": 0.12985576797447376,
"volume": 38.50425805485104,
"volume_molar": 4.637561237313535,
"formula_full": "Ni1 H2 O2",
"formula_reduced": "Ni(HO)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-15365",
"created_at": "2022-09-04T14:37:11.696381Z",
"updated_at": "2022-09-04T14:37:11.696402Z",
"structure_string": "Sr1 Mn2 As2\n1.0\n2.025022 -3.507440 -0.000000\n2.025022 3.507440 -0.000000\n-0.000000 -0.000000 7.309075\nSr Mn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.611903 Mn\n0.333333 0.666667 0.388096 Mn\n0.666667 0.333333 0.281343 As\n0.333333 0.666667 0.718656 As\n",
"nsites": 5,
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"elements": [
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"Mn",
"As"
],
"chemical_system": "As-Mn-Sr",
"density": 5.555083603462963,
"density_atomic": 0.048156797068916096,
"volume": 103.82750316314878,
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"formula_full": "Sr1 Mn2 As2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-57025",
"created_at": "2022-09-04T14:37:07.335612Z",
"updated_at": "2022-09-04T14:37:07.335628Z",
"structure_string": "Ce1 Co2 As2\n1.0\n3.758056 0.000000 -1.377869\n-0.505188 3.723945 -1.377869\n0.030824 0.035289 5.897945\nCe Co As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.249999 0.750001 0.500000 Co\n0.750000 0.250000 0.500000 Co\n0.366392 0.366393 0.732785 As\n0.633608 0.633608 0.267214 As\n",
"nsites": 5,
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"elements": [
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"Co",
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],
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"density": 8.16841347386248,
"density_atomic": 0.06030928042362411,
"volume": 82.90598005612118,
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"formula_full": "Ce1 Co2 As2",
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"spacegroup": 139
},
{
"id": "jvasp-10663",
"created_at": "2022-09-04T14:37:11.561562Z",
"updated_at": "2022-09-04T14:37:11.561578Z",
"structure_string": "Na4 Pt2 S4\n1.0\n3.585318 -0.000000 0.000000\n-1.792658 5.184248 -0.000000\n-0.000000 0.000000 10.827682\nNa Pt S\n4 2 4\ndirect\n0.170747 0.341492 0.093181 Na\n0.829254 0.658508 0.593181 Na\n0.432470 0.864941 0.876409 Na\n0.567530 0.135059 0.376409 Na\n0.863897 0.727793 0.254593 Pt\n0.136104 0.272207 0.754593 Pt\n0.551251 0.102502 0.635157 S\n0.448749 0.897499 0.135157 S\n0.720543 0.441085 0.874658 S\n0.279458 0.558915 0.374658 S\n",
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"elements": [
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],
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"density": 5.036229180937215,
"density_atomic": 0.0496879474919517,
"volume": 201.25604909761606,
"volume_molar": 12.119922564673148,
"formula_full": "Na4 Pt2 S4",
"formula_reduced": "Na2PtS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8740838799999998,
"spacegroup": 36
},
{
"id": "jvasp-43462",
"created_at": "2022-09-04T14:37:11.929311Z",
"updated_at": "2022-09-04T14:37:11.929328Z",
"structure_string": "Hf4 N4 O2\n1.0\n-3.430602 0.000109 0.008261\n-0.000073 -4.268427 -0.006816\n0.021128 1.540815 8.511460\nHf N O\n4 4 2\ndirect\n0.249569 0.709647 0.894288 Hf\n0.249318 0.875818 0.330048 Hf\n0.749409 0.122147 0.671536 Hf\n0.749364 0.288317 0.107294 Hf\n0.749707 0.667475 0.751410 N\n0.750042 0.783533 0.097581 N\n0.250203 0.214433 0.904000 N\n0.249613 0.330490 0.250176 N\n0.249435 0.186358 0.562058 O\n0.749382 0.811603 0.439526 O\n",
"nsites": 10,
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"elements": [
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"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 10.687998347963454,
"density_atomic": 0.08025659128583658,
"volume": 124.6003579243063,
"volume_molar": 7.50360894166554,
"formula_full": "Hf4 N4 O2",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.5720072,
"spacegroup": 11
},
{
"id": "jvasp-11549",
"created_at": "2022-09-04T14:37:16.097240Z",
"updated_at": "2022-09-04T14:37:16.097274Z",
"structure_string": "V2 Zn4 N4\n1.0\n4.393352 -0.000000 1.765662\n1.567778 5.127102 2.447665\n0.267768 0.336978 5.682375\nV Zn N\n2 4 4\ndirect\n0.350037 0.171683 0.128245 V\n0.649964 0.828317 0.871755 V\n0.708736 0.241123 0.341406 Zn\n0.291265 0.758877 0.658594 Zn\n0.054588 0.690452 0.200371 Zn\n0.945412 0.309548 0.799628 Zn\n0.155359 0.265888 0.423395 N\n0.844642 0.734112 0.576604 N\n0.528858 0.194720 0.747562 N\n0.471142 0.805280 0.252437 N\n",
"nsites": 10,
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"elements": [
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],
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"density": 5.669462201505403,
"density_atomic": 0.0813791948882908,
"volume": 122.88153026983122,
"volume_molar": 7.400098720891243,
"formula_full": "V2 Zn4 N4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 12
},
{
"id": "jvasp-50452",
"created_at": "2022-09-04T14:37:16.136776Z",
"updated_at": "2022-09-04T14:37:16.136802Z",
"structure_string": "Rb8 Mg4 O8\n1.0\n5.533071 0.000000 0.000000\n-0.000000 6.289143 0.000000\n0.000000 0.000000 10.985222\nRb Mg O\n8 4 8\ndirect\n0.499850 0.637175 0.155026 Rb\n0.999849 0.362824 0.155026 Rb\n0.999849 0.862824 0.344974 Rb\n0.499850 0.137175 0.344974 Rb\n0.500150 0.862824 0.655026 Rb\n0.000150 0.137175 0.655026 Rb\n0.000150 0.637175 0.844974 Rb\n0.500150 0.362824 0.844974 Rb\n0.750000 0.499964 0.500000 Mg\n0.250000 0.500035 0.500000 Mg\n0.250000 0.000035 0.000000 Mg\n0.750000 0.999964 0.000000 Mg\n0.000030 0.829299 0.091178 O\n0.500030 0.170700 0.091178 O\n0.500030 0.670700 0.408822 O\n0.000030 0.329299 0.408822 O\n-0.000030 0.670700 0.591178 O\n0.499970 0.329299 0.591178 O\n0.499970 0.829299 0.908822 O\n-0.000030 0.170700 0.908822 O\n",
"nsites": 20,
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"elements": [
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"O"
],
"chemical_system": "Mg-O-Rb",
"density": 3.948445719078847,
"density_atomic": 0.052319483134811655,
"volume": 382.2667733254548,
"volume_molar": 11.510321584184508,
"formula_full": "Rb8 Mg4 O8",
"formula_reduced": "Rb2MgO2",
"formula_anonymous": "AB2C2",
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"spacegroup": 72
}
]
}