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"results": [
{
"id": "jvasp-57112",
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"updated_at": "2022-09-04T14:38:32.660575Z",
"structure_string": "Sr3 Ce1 P1 C3 O13\n1.0\n6.504654 -0.012058 -1.144058\n-1.360796 6.360731 -1.144058\n-0.009771 -0.012058 6.604491\nSr Ce P C O\n3 1 1 3 13\ndirect\n0.526118 0.526119 0.077348 Sr\n0.526119 0.077348 0.526119 Sr\n0.077348 0.526119 0.526119 Sr\n0.001246 0.001246 0.001246 Ce\n0.577313 0.577313 0.577313 P\n0.067713 0.566952 0.067714 C\n0.067714 0.067714 0.566952 C\n0.566951 0.067714 0.067714 C\n0.161367 0.940504 0.659014 O\n0.659014 0.161368 0.940504 O\n0.111421 0.394514 0.111422 O\n0.435470 0.435470 0.684171 O\n0.940503 0.659015 0.161367 O\n0.111422 0.111422 0.394514 O\n0.743496 0.743496 0.743496 O\n0.435470 0.684171 0.435470 O\n0.684170 0.435470 0.435470 O\n0.940503 0.161368 0.659014 O\n0.161368 0.659015 0.940504 O\n0.659014 0.940504 0.161367 O\n0.394514 0.111422 0.111422 O\n",
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{
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"structure_string": "Ca2 Cu4 O8\n1.0\n4.872265 -0.000000 -2.558002\n-1.342983 4.683521 -2.558002\n0.667146 0.885335 7.189866\nCa Cu O\n2 4 8\ndirect\n0.375001 0.624999 0.750001 Ca\n0.625001 0.375000 0.250001 Ca\n0.000000 -0.000001 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500001 -0.000001 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.760801 0.787726 0.521602 O\n0.766128 0.239199 0.978399 O\n0.212274 0.239199 0.978399 O\n0.239200 0.212273 0.478399 O\n0.239201 0.766126 0.478399 O\n0.233873 0.760800 0.021602 O\n0.760801 0.233872 0.521602 O\n0.787728 0.760800 0.021602 O\n",
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"formula_full": "Ca2 Cu4 O8",
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-109851",
"created_at": "2022-09-04T14:38:18.743654Z",
"updated_at": "2022-09-04T14:38:18.743674Z",
"structure_string": "K2 In1 Hg1 Br6\n1.0\n6.860172 -0.000000 3.960722\n2.286724 6.467833 3.960722\n0.000000 -0.000000 7.921445\nK In Hg Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n0.756029 0.243971 0.243971 Br\n0.243971 0.243971 0.756029 Br\n0.243970 0.756029 0.756029 Br\n0.243970 0.756029 0.243971 Br\n0.756029 0.243971 0.756029 Br\n0.756029 0.756029 0.243971 Br\n",
"nsites": 10,
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"elements": [
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"density": 4.12457642437612,
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"volume": 351.47805432612023,
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"formula_full": "K2 In1 Hg1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-107862",
"created_at": "2022-09-04T14:37:49.447276Z",
"updated_at": "2022-09-04T14:37:49.447296Z",
"structure_string": "Rb2 In1 Sb1 I6\n1.0\n7.561119 -0.000000 4.365414\n2.520373 7.128692 4.365414\n-0.000000 -0.000000 8.730829\nRb In Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.754721 0.245279 0.245279 I\n0.245279 0.245279 0.754721 I\n0.245279 0.754721 0.754721 I\n0.245279 0.754721 0.245279 I\n0.754721 0.245279 0.754721 I\n0.754721 0.754721 0.245279 I\n",
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"formula_full": "Rb2 In1 Sb1 I6",
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{
"id": "jvasp-9625",
"created_at": "2022-09-04T14:37:12.336832Z",
"updated_at": "2022-09-04T14:37:12.336859Z",
"structure_string": "V4 Zn4 O10\n1.0\n0.000000 7.485122 -0.000248\n3.265964 0.000000 0.000000\n0.000000 0.000116 -10.297905\nV Zn O\n4 4 10\ndirect\n0.692956 0.000000 0.397342 V\n0.307035 0.000000 0.602675 V\n0.807042 0.000000 0.897330 V\n0.192952 0.000000 0.102653 V\n0.593561 0.499999 0.128953 Zn\n0.406414 0.499999 0.871058 Zn\n0.093574 0.499999 0.371050 Zn\n0.906410 0.499999 0.628940 Zn\n0.831872 0.499999 0.435812 O\n0.152609 0.000000 0.282910 O\n0.331869 0.499999 0.064180 O\n0.668130 0.499999 0.935828 O\n0.500050 0.000000 0.500062 O\n0.347385 0.000000 0.782916 O\n0.847380 0.000000 0.717083 O\n0.000047 0.000000 -0.000058 O\n0.652598 0.000000 0.217093 O\n0.168122 0.499999 0.564172 O\n",
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"elements": [
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"density": 4.125200285690779,
"density_atomic": 0.0715012027994628,
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"formula_full": "V4 Zn4 O10",
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{
"id": "jvasp-54461",
"created_at": "2022-09-04T14:37:43.672555Z",
"updated_at": "2022-09-04T14:37:43.672582Z",
"structure_string": "Cu1 O2\n1.0\n2.747461 0.000000 0.657945\n1.373730 3.058696 0.328972\n0.337229 0.000000 4.657217\nCu O\n1 2\ndirect\n0.250000 0.500001 0.500000 Cu\n0.621170 0.500001 0.757658 O\n0.878829 0.500001 0.242341 O\n",
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"elements": [
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"density_atomic": 0.07800524076868066,
"volume": 38.458954429694025,
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"formula_full": "Cu1 O2",
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"spacegroup": 69
},
{
"id": "jvasp-67312",
"created_at": "2022-09-04T14:35:51.858525Z",
"updated_at": "2022-09-04T14:35:51.858555Z",
"structure_string": "Be1 Ga1 Si1\n1.0\n-1.333170 1.333170 6.047885\n1.333170 -1.333170 6.047885\n1.333170 1.333170 -6.047885\nBe Ga Si\n1 1 1\ndirect\n0.006140 0.006140 0.000000 Be\n0.356210 0.356210 0.000000 Ga\n0.637650 0.637650 0.000000 Si\n",
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},
{
"id": "jvasp-45782",
"created_at": "2022-09-04T14:38:02.838421Z",
"updated_at": "2022-09-04T14:38:02.838442Z",
"structure_string": "Mn6 O4 F12\n1.0\n0.000000 5.388142 -0.012666\n4.674014 0.000000 0.000000\n0.000000 -0.912617 -9.932786\nMn O F\n6 4 12\ndirect\n0.500000 0.500000 0.000000 Mn\n0.261863 0.973312 0.756609 Mn\n0.738136 0.473312 0.743392 Mn\n0.500000 0.000000 0.500000 Mn\n0.261863 0.526687 0.256609 Mn\n0.738136 0.026687 0.243392 Mn\n0.477705 0.674783 0.823364 O\n0.522294 0.174784 0.676637 O\n0.477706 0.825215 0.323364 O\n0.522294 0.325216 0.176637 O\n0.021446 0.232731 0.190839 F\n0.978554 0.732730 0.309161 F\n0.778971 0.182979 0.425108 F\n0.302370 0.325104 0.420978 F\n0.697629 0.674895 0.579022 F\n0.302370 0.174896 0.920979 F\n0.021446 0.267269 0.690840 F\n0.978553 0.767268 0.809161 F\n0.778971 0.317020 0.925108 F\n0.221028 0.682979 0.074893 F\n0.221028 0.817020 0.574893 F\n0.697629 0.825103 0.079022 F\n",
"nsites": 22,
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"density": 4.125445746586722,
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"formula_full": "Mn6 O4 F12",
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},
{
"id": "jvasp-111232",
"created_at": "2022-09-04T14:38:47.405943Z",
"updated_at": "2022-09-04T14:38:47.405961Z",
"structure_string": "Rb3 Rh1 F6\n1.0\n5.593288 -0.000000 3.229286\n1.864429 5.273402 3.229286\n-0.000000 -0.000000 6.458572\nRb Rh F\n3 1 6\ndirect\n0.750001 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rh\n0.781689 0.218311 0.218312 F\n0.218312 0.218311 0.781689 F\n0.218312 0.781688 0.781689 F\n0.218312 0.781688 0.218312 F\n0.781689 0.218311 0.781689 F\n0.781689 0.781688 0.218312 F\n",
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},
{
"id": "jvasp-98015",
"created_at": "2022-09-04T14:36:20.307190Z",
"updated_at": "2022-09-04T14:36:20.307205Z",
"structure_string": "Ba8 In16 S32\n1.0\n12.320625 0.000229 -3.421455\n-7.066824 10.092462 -3.421455\n-0.011783 -0.022635 12.838802\nBa In S\n8 16 32\ndirect\n0.875000 0.125000 0.250000 Ba\n0.872342 0.622342 0.244683 Ba\n0.377658 0.127658 0.255316 Ba\n0.127658 0.377658 0.755316 Ba\n0.125000 0.874999 0.749999 Ba\n0.625000 0.375000 0.749999 Ba\n0.375000 0.625000 0.250000 Ba\n0.622342 0.872341 0.744683 Ba\n0.887287 0.861384 0.998763 In\n0.862620 0.388523 0.501235 In\n0.138615 0.112712 0.501236 In\n0.611476 0.137379 0.998763 In\n0.112713 0.138615 0.001236 In\n0.137379 0.611476 0.498764 In\n0.388524 0.862620 0.001236 In\n0.861384 0.887287 0.498763 In\n0.356618 0.463717 0.500132 In\n0.963585 0.356484 0.999866 In\n0.463718 0.356618 0.000133 In\n0.356485 0.963584 0.499866 In\n0.643382 0.536282 0.499867 In\n0.036415 0.643515 0.000133 In\n0.536282 0.643382 0.999866 In\n0.643515 0.036415 0.500132 In\n0.086964 0.586269 0.670842 S\n0.083878 0.084573 0.670843 S\n0.413731 0.913035 0.829156 S\n0.915426 0.916121 0.829156 S\n0.814310 0.147774 0.997587 S\n0.084574 0.083878 0.170843 S\n0.150186 0.316722 0.502412 S\n0.852226 0.185689 0.502411 S\n0.683277 0.849813 0.997587 S\n0.185690 0.852226 0.002412 S\n0.849814 0.683277 0.497587 S\n0.147774 0.814310 0.497587 S\n0.316722 0.150186 0.002412 S\n0.158235 0.346989 0.002570 S\n0.344420 0.655665 0.497430 S\n0.653010 0.841765 0.497429 S\n0.344335 0.655580 0.002570 S\n0.586269 0.086964 0.170842 S\n0.841765 0.653010 0.997429 S\n0.346989 0.158235 0.502570 S\n0.655665 0.344419 0.997429 S\n0.585140 0.085108 0.671681 S\n0.413427 0.413459 0.828318 S\n0.914892 0.414859 0.828318 S\n0.586541 0.586573 0.671681 S\n0.414859 0.914892 0.328318 S\n0.586573 0.586541 0.171681 S\n0.085108 0.585140 0.171681 S\n0.413459 0.413426 0.328318 S\n0.913036 0.413731 0.329157 S\n0.655580 0.344335 0.502569 S\n0.916121 0.915426 0.329156 S\n",
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{
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"updated_at": "2022-09-04T14:36:34.774955Z",
"structure_string": "Mg1 Mn2 N2\n1.0\n3.606809 0.000000 0.000000\n0.000000 3.606827 0.000000\n0.000000 0.000000 5.018045\nMg Mn N\n1 2 2\ndirect\n0.000000 0.000000 0.749998 Mg\n0.500000 0.500000 0.005983 Mn\n0.500000 0.500000 0.494018 Mn\n0.000000 0.500000 0.497021 N\n0.500000 0.000000 0.002979 N\n",
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"created_at": "2022-09-04T14:37:33.624185Z",
"updated_at": "2022-09-04T14:37:33.624211Z",
"structure_string": "V1 Cr2 S4\n1.0\n0.000000 3.421959 0.000000\n-0.055504 0.000000 6.076279\n5.508526 -1.710980 -2.944889\nV Cr S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 V\n0.258500 0.274707 0.516999 Cr\n0.741501 0.725294 0.483003 Cr\n0.123868 0.449251 0.247735 S\n0.876133 0.550750 0.752267 S\n0.368056 0.030533 0.736110 S\n0.631945 0.969467 0.263891 S\n",
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}
]
}