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{
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"results": [
{
"id": "jvasp-112514",
"created_at": "2022-09-04T14:38:41.689722Z",
"updated_at": "2022-09-04T14:38:41.689758Z",
"structure_string": "Li4 Ce2 O6\n1.0\n5.603880 -0.265636 0.858997\n-3.228167 4.588352 0.858997\n-0.249476 -0.453932 5.586877\nLi Ce O\n4 2 6\ndirect\n0.786928 0.213071 0.750001 Li\n0.422783 0.577216 0.750001 Li\n0.213070 0.786928 0.250001 Li\n0.577215 0.422783 0.250001 Li\n0.101435 0.898564 0.750001 Ce\n0.898563 0.101436 0.250001 Ce\n0.842125 0.695552 0.469032 O\n0.695551 0.842126 -0.030969 O\n-0.000000 0.500000 0.000000 O\n0.304447 0.157873 0.030970 O\n0.500000 -0.000000 0.500001 O\n0.157873 0.304448 0.530970 O\n",
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{
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"updated_at": "2022-09-04T14:36:08.039281Z",
"structure_string": "Mn1 Be1 Tc2\n1.0\n2.861862 0.000000 0.000000\n0.000000 2.861862 0.000000\n-0.000000 0.000000 5.834289\nMn Be Tc\n1 1 2\ndirect\n0.500000 0.500000 0.723041 Mn\n0.000000 0.000000 0.524029 Be\n0.000000 0.000000 0.967770 Tc\n0.500000 0.500000 0.285161 Tc\n",
"nsites": 4,
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{
"id": "jvasp-105517",
"created_at": "2022-09-04T14:38:46.519679Z",
"updated_at": "2022-09-04T14:38:46.519731Z",
"structure_string": "Er1 Mn1 Fe1 O4\n1.0\n3.449801 0.067563 7.779129\n1.701770 3.001611 7.779129\n0.113404 0.067563 8.509002\nEr Mn Fe O\n1 1 1 4\ndirect\n-0.004864 -0.004864 -0.004864 Er\n0.210018 0.210018 0.210019 Mn\n0.785081 0.785079 0.785083 Fe\n0.706892 0.706890 0.706894 O\n0.288015 0.288014 0.288016 O\n0.877579 0.877576 0.877581 O\n0.132079 0.132079 0.132079 O\n",
"nsites": 7,
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"elements": [
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"density": 6.79187561976344,
"density_atomic": 0.08370708522555531,
"volume": 83.62494024416154,
"volume_molar": 7.194302302813279,
"formula_full": "Er1 Mn1 Fe1 O4",
"formula_reduced": "ErMnFeO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 160
},
{
"id": "jvasp-67440",
"created_at": "2022-09-04T14:35:49.040228Z",
"updated_at": "2022-09-04T14:35:49.040256Z",
"structure_string": "Be2 Co1 Hg1\n1.0\n2.864902 -0.000000 -0.000000\n0.000000 2.864902 -0.000000\n-0.000000 0.000000 5.822229\nBe Co Hg\n2 1 1\ndirect\n0.000000 0.000000 0.056800 Be\n0.500000 0.500000 0.262501 Be\n0.000000 0.000000 0.420567 Co\n0.500000 0.500000 0.760133 Hg\n",
"nsites": 4,
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],
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"density": 9.644454871206577,
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"volume": 47.78689627496902,
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"formula_full": "Be2 Co1 Hg1",
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"spacegroup": 99
},
{
"id": "jvasp-103835",
"created_at": "2022-09-04T14:36:59.831513Z",
"updated_at": "2022-09-04T14:36:59.831533Z",
"structure_string": "H3 C5 S1 N1 O2\n1.0\n5.410366 0.179699 0.582799\n1.381353 4.996175 1.260794\n-0.006942 0.173481 5.391110\nH C S N O\n3 5 1 1 2\ndirect\n0.001996 0.947374 0.195017 H\n0.012639 0.954589 0.742103 H\n0.294677 0.191212 0.383360 H\n0.961656 0.170673 0.647613 C\n0.110485 0.289714 0.466176 C\n0.005900 0.585544 0.381837 C\n0.735825 0.361676 0.722625 C\n0.555676 0.287026 0.940142 C\n0.691421 0.688669 0.557943 S\n0.113293 0.745099 0.226288 N\n0.661369 0.202976 0.157582 O\n0.329436 0.314296 0.886719 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "C-H-N-O-S",
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"density_atomic": 0.08370271405116086,
"volume": 143.3645268977222,
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"formula_full": "H3 C5 S1 N1 O2",
"formula_reduced": "H3C5SNO2",
"formula_anonymous": "ABC2D3E5",
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{
"id": "jvasp-119537",
"created_at": "2022-09-04T14:38:35.138539Z",
"updated_at": "2022-09-04T14:38:35.138565Z",
"structure_string": "Li4 Cr2 Si4 O12\n1.0\n5.769258 -0.021853 -0.042213\n2.688597 5.103124 0.036447\n-0.005238 0.010034 8.909812\nLi Cr Si O\n4 2 4 12\ndirect\n0.606528 0.690733 0.885437 Li\n0.309168 0.393113 0.385280 Li\n0.690792 0.606853 0.614709 Li\n0.393506 0.309306 0.114552 Li\n0.239022 0.239098 0.749978 Cr\n0.760974 0.760906 0.250024 Cr\n0.126880 0.793837 0.639632 Si\n0.206054 0.873168 0.139710 Si\n0.793955 0.126838 0.860295 Si\n0.873116 0.206153 0.360374 Si\n0.763585 0.507525 0.408721 O\n0.492672 0.236373 0.908602 O\n0.000002 0.000037 0.000006 O\n0.131546 0.131604 0.250109 O\n-0.000037 -0.000002 0.500006 O\n0.351075 0.847036 0.723761 O\n0.507336 0.763615 0.091394 O\n0.236427 0.492467 0.591276 O\n0.152944 0.648884 0.223696 O\n0.847051 0.351115 0.776291 O\n0.868487 0.868363 0.749925 O\n0.648927 0.152967 0.276225 O\n",
"nsites": 22,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 2.7551357068079523,
"density_atomic": 0.08370269759998115,
"volume": 262.83501763753134,
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"formula_full": "Li4 Cr2 Si4 O12",
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"formula_anonymous": "AB2C2D6",
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"spacegroup": 15
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{
"id": "jvasp-56662",
"created_at": "2022-09-04T14:38:35.036771Z",
"updated_at": "2022-09-04T14:38:35.036797Z",
"structure_string": "Ca4 Mn2 Sb2 O12\n1.0\n0.000000 5.520622 -0.042725\n7.699176 0.000000 0.000000\n0.000000 -0.318724 -5.619225\nCa Mn Sb O\n4 2 2 12\ndirect\n0.479522 0.750000 0.437316 Ca\n0.520478 0.250000 0.562682 Ca\n0.996254 0.750000 0.959726 Ca\n0.003747 0.250000 0.040272 Ca\n0.500000 0.500000 -0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.301718 0.548993 0.704875 O\n0.581014 0.750000 0.031890 O\n0.698282 0.048993 0.295124 O\n0.105805 0.250000 0.461896 O\n0.186931 0.949569 0.215896 O\n0.813069 0.050432 0.784103 O\n0.186931 0.550432 0.215896 O\n0.301718 0.951007 0.704875 O\n0.894195 0.750000 0.538102 O\n0.698282 0.451007 0.295124 O\n0.813069 0.449568 0.784103 O\n0.418987 0.250000 0.968108 O\n",
"nsites": 20,
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],
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"density": 4.904226072706395,
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"volume": 238.94573370120096,
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"formula_full": "Ca4 Mn2 Sb2 O12",
"formula_reduced": "Ca2MnSbO6",
"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-102713",
"created_at": "2022-09-04T14:36:48.881355Z",
"updated_at": "2022-09-04T14:36:48.881384Z",
"structure_string": "Mn3 V2 Ga2 Co1\n1.0\n4.071430 -0.000000 0.000000\n-2.035715 3.324661 1.174324\n0.000000 -0.000968 7.060645\nMn V Ga Co\n3 2 2 1\ndirect\n0.500395 0.000790 0.498814 Mn\n0.249219 0.498440 0.252341 Mn\n0.750148 0.500298 0.749552 Mn\n0.873680 0.747361 0.378957 V\n0.376843 0.753686 0.869470 V\n0.625917 0.251834 0.122249 Ga\n0.123976 0.247953 0.628070 Ga\n0.999816 0.999634 0.000547 Co\n",
"nsites": 8,
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],
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"density": 8.080041405438285,
"density_atomic": 0.083700921450022,
"volume": 95.57839819931752,
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"formula_full": "Mn3 V2 Ga2 Co1",
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"formula_anonymous": "AB2C2D3",
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"spacegroup": 160
},
{
"id": "jvasp-65094",
"created_at": "2022-09-04T14:36:21.505675Z",
"updated_at": "2022-09-04T14:36:21.505690Z",
"structure_string": "Be2 Ni1 Se1\n1.0\n3.163214 0.000000 0.000000\n0.000000 3.163214 0.000000\n-0.000000 0.000000 4.776107\nBe Ni Se\n2 1 1\ndirect\n0.000000 0.000000 0.002543 Be\n0.499999 0.499999 0.270016 Be\n0.000000 0.000000 0.445372 Ni\n0.499999 0.499999 0.782070 Se\n",
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},
{
"id": "jvasp-69432",
"created_at": "2022-09-04T14:35:47.391600Z",
"updated_at": "2022-09-04T14:35:47.391625Z",
"structure_string": "Be2 Ni1 Se1\n1.0\n3.163396 0.000000 0.000000\n0.000000 3.163396 0.000000\n-0.000000 0.000000 4.775667\nBe Ni Se\n2 1 1\ndirect\n0.000000 0.000000 0.002466 Be\n0.500001 0.500001 0.270061 Be\n0.000000 0.000000 0.445386 Ni\n0.500001 0.500001 0.782087 Se\n",
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},
{
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"created_at": "2022-09-04T14:35:55.406222Z",
"updated_at": "2022-09-04T14:35:55.406254Z",
"structure_string": "Li4 Mn1 F7\n1.0\n-4.154144 0.000000 4.154144\n4.154144 0.000000 4.154144\n-0.000000 4.154144 -4.154144\nLi Mn F\n4 1 7\ndirect\n0.626357 0.373642 0.252716 Li\n0.626357 0.373642 0.747283 Li\n0.120926 0.373642 0.747283 Li\n0.626357 0.879073 0.252716 Li\n0.000000 0.000000 0.000000 Mn\n0.749999 0.250000 0.499999 F\n0.763292 0.236707 0.000000 F\n0.763292 0.763292 0.000000 F\n0.763292 0.763292 0.526585 F\n0.236707 0.236707 0.000000 F\n0.236707 0.236707 0.473414 F\n0.236707 0.763292 0.000000 F\n",
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{
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"updated_at": "2022-09-04T14:38:19.941575Z",
"structure_string": "Nd4 V4 O12\n1.0\n5.452641 -0.000000 0.000000\n0.000000 5.632001 0.000000\n0.000000 0.000000 7.781693\nNd V O\n4 4 12\ndirect\n0.987762 0.052761 0.250000 Nd\n0.487762 0.447239 0.750000 Nd\n0.512238 0.552761 0.250000 Nd\n0.012238 0.947239 0.750000 Nd\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.795144 0.793197 0.045393 O\n0.295144 0.706803 0.954607 O\n0.295144 0.706803 0.545393 O\n0.795144 0.793197 0.454607 O\n0.204856 0.206803 0.954607 O\n0.586188 0.023305 0.750000 O\n0.913812 0.523305 0.750000 O\n0.413812 0.976695 0.250000 O\n0.204856 0.206803 0.545393 O\n0.086188 0.476695 0.250000 O\n0.704856 0.293197 0.045393 O\n0.704856 0.293197 0.454607 O\n",
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]
}