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{
"id": "jvasp-93291",
"created_at": "2022-09-04T14:35:57.346400Z",
"updated_at": "2022-09-04T14:35:57.346424Z",
"structure_string": "Mg1 Hg5\n1.0\n3.754690 0.000000 0.000000\n1.877344 7.489420 0.000000\n0.000000 0.000000 5.295844\nMg Hg\n1 5\ndirect\n0.783046 0.433907 0.499999 Mg\n0.324805 0.350393 0.000000 Hg\n0.660680 0.678641 0.000000 Hg\n-0.005071 0.010140 0.000000 Hg\n0.444544 0.110916 0.499999 Hg\n0.125332 0.749339 0.499999 Hg\n",
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{
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"structure_string": "Mn1 Sn1 Te2\n1.0\n4.262325 0.520640 8.271752\n2.412803 3.552022 8.271752\n0.853334 0.520640 9.266127\nMn Sn Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n0.274527 0.274527 0.274527 Te\n0.725473 0.725472 0.725474 Te\n",
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{
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"nsites": 7,
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"elements": [
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"volume": 173.755917919021,
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"formula_full": "Zn2 Ge1 Se4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 121
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{
"id": "jvasp-16427",
"created_at": "2022-09-04T14:38:16.020571Z",
"updated_at": "2022-09-04T14:38:16.020597Z",
"structure_string": "Sm1 Al1\n1.0\n3.675323 -0.000000 -0.000000\n0.000000 3.675323 0.000000\n0.000000 -0.000000 3.675323\nSm Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
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"density": 5.931616059684804,
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"volume": 49.646259975885926,
"volume_molar": 14.948838289116962,
"formula_full": "Sm1 Al1",
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"spacegroup": 221
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{
"id": "jvasp-78554",
"created_at": "2022-09-04T14:37:09.797050Z",
"updated_at": "2022-09-04T14:37:09.797076Z",
"structure_string": "Mg1 Sn1\n1.0\n3.490327 -0.000000 0.000000\n-1.745163 3.022712 -0.000000\n-0.000000 -0.000000 4.705855\nMg Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333333 0.500001 Sn\n",
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"elements": [
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"volume": 49.647962275184256,
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"spacegroup": 187
},
{
"id": "jvasp-107147",
"created_at": "2022-09-04T14:36:57.635000Z",
"updated_at": "2022-09-04T14:36:57.635021Z",
"structure_string": "Ca1 Cl2\n1.0\n4.089780 -0.000000 2.361235\n1.363260 3.855881 2.361235\n-0.000000 -0.000000 4.722471\nCa Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Cl\n0.750000 0.750000 0.750001 Cl\n",
"nsites": 3,
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"elements": [
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"volume": 74.47197452301516,
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"formula_full": "Ca1 Cl2",
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"spacegroup": 225
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{
"id": "jvasp-110454",
"created_at": "2022-09-04T14:38:38.996071Z",
"updated_at": "2022-09-04T14:38:38.996087Z",
"structure_string": "Nd2 Cd6\n1.0\n6.776999 -0.000000 -0.000000\n-3.388499 5.869053 0.000000\n0.000000 -0.000000 4.993223\nNd Cd\n2 6\ndirect\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.840482 0.159518 0.750000 Cd\n0.319037 0.159518 0.750000 Cd\n0.840481 0.680962 0.750000 Cd\n0.159518 0.840481 0.250000 Cd\n0.680963 0.840481 0.250000 Cd\n0.159518 0.319037 0.250000 Cd\n",
"nsites": 8,
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"elements": [
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"density": 8.05130760995715,
"density_atomic": 0.04028130868350539,
"volume": 198.60327932383893,
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"formula_full": "Nd2 Cd6",
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"spacegroup": 194
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{
"id": "jvasp-103042",
"created_at": "2022-09-04T14:36:43.049191Z",
"updated_at": "2022-09-04T14:36:43.049206Z",
"structure_string": "Te3 Mo2 Se1\n1.0\n3.508710 0.000000 0.000000\n-1.754355 3.038632 -0.000000\n0.000000 -0.000000 13.970843\nTe Mo Se\n3 2 1\ndirect\n0.333334 0.666667 0.886369 Te\n0.333334 0.666667 0.623800 Te\n0.666667 0.333333 0.371314 Te\n0.666667 0.333333 0.754930 Mo\n0.333334 0.666667 0.238972 Mo\n0.666667 0.333333 0.124615 Se\n",
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"elements": [
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"Mo",
"Se"
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"density": 7.286844885658459,
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"volume": 148.95263622650103,
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"formula_full": "Te3 Mo2 Se1",
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"spacegroup": 156
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{
"id": "jvasp-90858",
"created_at": "2022-09-04T14:35:55.423669Z",
"updated_at": "2022-09-04T14:35:55.423689Z",
"structure_string": "K1 Cd4 P3\n1.0\n-2.198702 -3.808263 0.000000\n2.198702 -3.808263 0.000000\n-0.000000 -2.538842 11.859877\nK Cd P\n1 4 3\ndirect\n0.499999 0.499999 0.500000 K\n0.091355 0.091355 0.725935 Cd\n0.908644 0.908644 0.274065 Cd\n0.301385 0.301385 0.095843 Cd\n0.698614 0.698614 0.904158 Cd\n0.227923 0.227923 0.316230 P\n0.772076 0.772076 0.683770 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 8,
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"elements": [
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"density": 4.863148021413434,
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"volume": 198.61108564220194,
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"formula_full": "K1 Cd4 P3",
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"spacegroup": 166
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{
"id": "jvasp-37607",
"created_at": "2022-09-04T14:37:55.163545Z",
"updated_at": "2022-09-04T14:37:55.163569Z",
"structure_string": "Y1 Tm1 Hg2\n1.0\n0.000000 3.675551 3.675551\n3.675551 0.000000 3.675551\n3.675551 3.675551 -0.000000\nY Tm Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Y\n0.250000 0.250000 0.250000 Tm\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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},
{
"id": "jvasp-28672",
"created_at": "2022-09-04T14:37:32.053980Z",
"updated_at": "2022-09-04T14:37:32.054007Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.225414 -0.000048 -0.000005\n-1.612749 2.793186 -0.000035\n-0.000051 -0.000442 33.071278\nMo W Se S\n2 2 2 6\ndirect\n0.333259 0.666556 0.091887 Mo\n0.333244 0.666433 0.468224 Mo\n0.666814 0.333575 0.280268 W\n0.666680 0.333442 0.662540 W\n0.333315 0.666694 0.714563 Se\n0.333358 0.666812 0.610471 Se\n0.333411 0.666761 0.327579 S\n0.666587 0.333206 0.044857 S\n0.666515 0.332969 0.421173 S\n0.666616 0.333280 0.138952 S\n0.666668 0.333289 0.515298 S\n0.333524 0.666992 0.232942 S\n",
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"volume": 297.94257681041415,
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{
"id": "jvasp-100714",
"created_at": "2022-09-04T14:37:07.573293Z",
"updated_at": "2022-09-04T14:37:07.573317Z",
"structure_string": "Er3 Ga1\n1.0\n4.631073 -0.000000 0.000000\n0.000000 4.631073 0.000000\n-0.000000 -0.000000 4.631073\nEr Ga\n3 1\ndirect\n-0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.500000 Er\n0.500000 0.500000 -0.000000 Er\n0.000000 0.000000 0.000000 Ga\n",
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"formula_full": "Er3 Ga1",
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}