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{
"id": "jvasp-101243",
"created_at": "2022-09-04T14:37:11.592785Z",
"updated_at": "2022-09-04T14:37:11.592805Z",
"structure_string": "Na2 Mn2 N2\n1.0\n3.022204 0.001318 -0.000005\n-1.509960 2.619827 0.000012\n-0.000017 0.000036 10.087224\nNa Mn N\n2 2 2\ndirect\n0.666853 0.333814 0.757899 Na\n0.333147 0.666209 0.257899 Na\n0.999997 0.000391 0.513863 Mn\n0.000001 -0.000372 0.013869 Mn\n0.333428 0.666535 0.572876 N\n0.666572 0.333493 0.072871 N\n",
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{
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"structure_string": "Sr2 Ca1 N2\n1.0\n3.757541 0.000410 0.000236\n-1.878316 3.254763 -0.000411\n0.000461 -0.000900 9.462532\nSr Ca N\n2 1 2\ndirect\n0.666675 0.333272 0.215091 Sr\n0.333323 0.666727 0.784910 Sr\n-0.000000 -0.000000 0.500000 Ca\n0.666713 0.333230 0.661385 N\n0.333285 0.666769 0.338616 N\n",
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{
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"created_at": "2022-09-04T14:37:12.321313Z",
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"structure_string": "Sr2 Co1 N2\n1.0\n3.662660 0.000000 -1.090516\n-0.324794 3.648127 -1.090869\n0.013442 0.015342 6.741197\nSr Co N\n2 1 2\ndirect\n0.854941 0.854941 0.209880 Sr\n0.145060 0.145060 0.790120 Sr\n0.500000 0.500000 0.500000 Co\n0.359674 0.359674 0.219347 N\n0.640327 0.640326 0.780652 N\n",
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"volume": 90.19506487638631,
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"formula_full": "Sr2 Co1 N2",
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{
"id": "jvasp-101248",
"created_at": "2022-09-04T14:37:13.125969Z",
"updated_at": "2022-09-04T14:37:13.125996Z",
"structure_string": "Fe2 Cu1 N2\n1.0\n3.264695 -0.000040 -1.014078\n-0.314913 3.249472 -1.014078\n0.014441 0.015908 5.808726\nFe Cu N\n2 1 2\ndirect\n0.981223 0.518778 0.500000 Fe\n0.481222 0.018779 0.500000 Fe\n0.231510 0.268491 -0.000000 Cu\n0.057662 0.095215 0.652877 N\n0.404786 0.442338 0.347123 N\n",
"nsites": 5,
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"elements": [
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"density": 5.4676519123155645,
"density_atomic": 0.08100139398695977,
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"formula_full": "Fe2 Cu1 N2",
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"spacegroup": 139
},
{
"id": "jvasp-10125",
"created_at": "2022-09-04T14:38:11.621752Z",
"updated_at": "2022-09-04T14:38:11.621764Z",
"structure_string": "Rb4 S6\n1.0\n6.417512 -0.028226 -0.000000\n-2.029109 6.088348 0.000000\n0.000000 -0.000000 7.634640\nRb S\n4 6\ndirect\n0.427554 0.572445 0.813296 Rb\n0.572445 0.427554 0.313296 Rb\n0.895658 0.104341 0.538719 Rb\n0.104341 0.895659 0.038719 Rb\n0.387090 0.064128 0.653383 S\n0.612910 0.935872 0.153383 S\n0.935871 0.612910 0.653383 S\n0.064128 0.387090 0.153383 S\n0.794289 0.205710 -0.001379 S\n0.205711 0.794289 0.498621 S\n",
"nsites": 10,
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"elements": [
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"formula_full": "Rb4 S6",
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"spacegroup": 36
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{
"id": "jvasp-101250",
"created_at": "2022-09-04T14:36:40.572863Z",
"updated_at": "2022-09-04T14:36:40.572875Z",
"structure_string": "Mn1 O2\n1.0\n2.403607 -0.241738 4.500894\n0.937383 2.226448 4.500895\n-0.406932 -0.241738 5.086234\nMn O\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.600564 0.600563 0.600562 O\n0.399437 0.399436 0.399436 O\n",
"nsites": 3,
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"elements": [
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"volume": 34.48749005649064,
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"formula_full": "Mn1 O2",
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"formula_anonymous": "AB2",
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},
{
"id": "jvasp-101253",
"created_at": "2022-09-04T14:36:44.787048Z",
"updated_at": "2022-09-04T14:36:44.787065Z",
"structure_string": "V2 Zn1 O6\n1.0\n4.725078 -0.023485 1.609594\n3.433727 3.245987 1.609594\n0.206865 0.081706 6.606222\nV Zn O\n2 1 6\ndirect\n0.811534 0.811537 0.652170 V\n0.188466 0.188467 0.347827 V\n0.000000 0.000000 0.000000 Zn\n0.971178 0.971182 0.718639 O\n0.028821 0.028822 0.281359 O\n0.657638 0.657641 0.890669 O\n0.342362 0.342363 0.109328 O\n0.690543 0.690546 0.436917 O\n0.309456 0.309458 0.563081 O\n",
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"density": 4.3460401543556895,
"density_atomic": 0.08946546452661058,
"volume": 100.59747688811298,
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"formula_full": "V2 Zn1 O6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 12
},
{
"id": "jvasp-101254",
"created_at": "2022-09-04T14:36:45.208840Z",
"updated_at": "2022-09-04T14:36:45.208875Z",
"structure_string": "Ba2 Mn2 As2 O1\n1.0\n3.965005 -0.000702 -1.249453\n2.526565 5.736355 1.098696\n0.015345 -0.066339 6.964860\nBa Mn As O\n2 2 2 1\ndirect\n0.757694 0.191684 0.707074 Ba\n0.242310 0.808318 0.292927 Ba\n0.616613 0.691159 0.924355 Mn\n0.383390 0.308843 0.075646 Mn\n0.951554 0.361030 0.264141 As\n0.048449 0.638972 0.735861 As\n0.500001 -0.000000 -0.000000 O\n",
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"elements": [
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],
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"density": 5.746658322751521,
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"volume": 159.03422504109224,
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"formula_full": "Ba2 Mn2 As2 O1",
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{
"id": "jvasp-101255",
"created_at": "2022-09-04T14:36:46.215743Z",
"updated_at": "2022-09-04T14:36:46.215777Z",
"structure_string": "Fe2 Bi2 O6\n1.0\n3.837109 0.001053 0.000000\n-0.001050 3.837109 0.000000\n-0.000000 0.000000 7.673432\nFe Bi O\n2 2 6\ndirect\n0.499993 0.499992 0.750000 Fe\n0.500008 0.500007 0.250000 Fe\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.500021 -0.000011 0.750000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.499979 0.000010 0.250000 O\n0.000011 0.499979 0.250000 O\n-0.000011 0.500021 0.750000 O\n",
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"density": 9.195612218904987,
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"formula_full": "Fe2 Bi2 O6",
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},
{
"id": "jvasp-101256",
"created_at": "2022-09-04T14:36:31.204534Z",
"updated_at": "2022-09-04T14:36:31.204562Z",
"structure_string": "La1 Co1 O3\n1.0\n3.828976 0.000000 0.000000\n0.000000 3.828976 0.000000\n0.000000 0.000000 3.828976\nLa Co O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
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},
{
"id": "jvasp-101258",
"created_at": "2022-09-04T14:36:46.902681Z",
"updated_at": "2022-09-04T14:36:46.902704Z",
"structure_string": "Li1 V1 F6\n1.0\n4.713594 -0.363279 2.140344\n1.988236 4.289156 2.140344\n0.427385 0.250358 4.994001\nLi V F\n1 1 6\ndirect\n0.518597 0.518598 0.483595 Li\n0.018606 0.018607 0.983611 V\n0.196127 0.722813 0.804537 F\n0.250959 0.250960 0.628586 F\n0.314452 0.841042 0.162633 F\n0.722811 0.196127 0.804537 F\n0.786275 0.786276 0.338701 F\n0.841040 0.314452 0.162633 F\n",
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"volume": 98.85629665969978,
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{
"id": "jvasp-101259",
"created_at": "2022-09-04T14:36:46.660890Z",
"updated_at": "2022-09-04T14:36:46.660917Z",
"structure_string": "Na2 Mn2 O4\n1.0\n4.398890 0.002517 -0.000337\n2.197436 4.327236 2.198467\n0.000387 0.000736 4.398490\nNa Mn O\n2 2 4\ndirect\n0.376677 0.748861 0.624296 Na\n0.626692 0.248904 0.374257 Na\n0.126732 0.248874 0.874226 Mn\n0.876645 0.748876 0.124260 Mn\n0.906221 0.689781 0.653916 O\n0.656211 0.189776 0.903827 O\n0.347188 0.807973 0.094747 O\n0.097156 0.307969 0.344859 O\n",
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