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{
"id": "jvasp-92418",
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{
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{
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{
"id": "jvasp-36250",
"created_at": "2022-09-04T14:37:28.678370Z",
"updated_at": "2022-09-04T14:37:28.678394Z",
"structure_string": "Np1 N2\n1.0\n2.618058 2.618058 -0.000000\n2.618058 0.000000 -2.618058\n-0.000000 2.618058 -2.618058\nNp N\n1 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 N\n0.750001 0.750001 0.750001 N\n",
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"elements": [
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"density": 12.261656481659593,
"density_atomic": 0.08358983505230881,
"volume": 35.8895312823941,
"volume_molar": 7.204393639766687,
"formula_full": "Np1 N2",
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{
"id": "jvasp-41168",
"created_at": "2022-09-04T14:37:36.495289Z",
"updated_at": "2022-09-04T14:37:36.495302Z",
"structure_string": "Np2 N4\n1.0\n4.891254 0.000000 0.000000\n0.000000 4.891254 0.000000\n0.000000 0.000000 3.494388\nNp N\n2 4\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Np\n0.316630 0.316630 0.000000 N\n0.683369 0.683369 0.000000 N\n0.183369 0.816630 0.500000 N\n0.816630 0.183369 0.500000 N\n",
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"formula_full": "Np2 N4",
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},
{
"id": "jvasp-14972",
"created_at": "2022-09-04T14:35:56.308599Z",
"updated_at": "2022-09-04T14:35:56.308613Z",
"structure_string": "Np1 N1\n1.0\n2.983283 -0.000000 1.722399\n0.994427 2.812667 1.722399\n-0.000000 -0.000000 3.444800\nNp N\n1 1\ndirect\n0.500000 0.500001 0.500000 Np\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
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"elements": [
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"volume": 28.90525357331749,
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{
"id": "jvasp-36341",
"created_at": "2022-09-04T14:37:28.373345Z",
"updated_at": "2022-09-04T14:37:28.373370Z",
"structure_string": "Np1 N1\n1.0\n2.996205 -0.000000 -0.000000\n-0.000000 2.996205 -0.000000\n-0.000000 -0.000000 2.996205\nNp N\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.499999 0.499999 0.499999 N\n",
"nsites": 2,
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"elements": [
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"density": 15.496008225668648,
"density_atomic": 0.0743558978986167,
"volume": 26.89766456356931,
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"formula_full": "Np1 N1",
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},
{
"id": "jvasp-36342",
"created_at": "2022-09-04T14:37:28.376277Z",
"updated_at": "2022-09-04T14:37:28.376311Z",
"structure_string": "Np1 N1\n1.0\n2.625421 2.625421 -0.000000\n2.625421 0.000000 -2.625421\n0.000000 2.625421 -2.625421\nNp N\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.750000 0.750000 N\n",
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"volume": 36.19318976044498,
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"formula_full": "Np1 N1",
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"formula_anonymous": "AB",
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"spacegroup": 216
},
{
"id": "jvasp-78378",
"created_at": "2022-09-04T14:38:03.688990Z",
"updated_at": "2022-09-04T14:38:03.689024Z",
"structure_string": "Np1 N1\n1.0\n-2.435781 -2.435781 -0.000000\n-2.435781 -0.000000 -2.435781\n0.000000 -2.435781 -2.435781\nNp N\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
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"elements": [
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"density": 14.420811510762075,
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"volume_molar": 8.702932554313406,
"formula_full": "Np1 N1",
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"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-86276",
"created_at": "2022-09-04T14:38:12.885507Z",
"updated_at": "2022-09-04T14:38:12.885538Z",
"structure_string": "Np1 Mn2 Si2\n1.0\n3.633910 0.000000 -1.373830\n-0.519388 3.596601 -1.373830\n0.071191 0.082209 5.681237\nNp Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 Mn\n0.249999 0.750000 0.500000 Mn\n0.381065 0.381066 0.762130 Si\n0.618934 0.618935 0.237870 Si\n",
"nsites": 5,
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"elements": [
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"Si"
],
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"density": 8.914990137537936,
"density_atomic": 0.06660180265886352,
"volume": 75.07304307677907,
"volume_molar": 9.042008653798142,
"formula_full": "Np1 Mn2 Si2",
"formula_reduced": "Np(MnSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.613524336551723,
"spacegroup": 139
},
{
"id": "jvasp-86878",
"created_at": "2022-09-04T14:36:17.152393Z",
"updated_at": "2022-09-04T14:36:17.152410Z",
"structure_string": "Np1 Mn2 Si2\n1.0\n3.633910 0.000000 -1.373830\n-0.519388 3.596601 -1.373830\n0.071191 0.082209 5.681237\nNp Mn Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.500000 Mn\n0.249999 0.750000 0.500000 Mn\n0.381065 0.381066 0.762130 Si\n0.618934 0.618935 0.237870 Si\n",
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],
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"density": 8.914990137537936,
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"volume": 75.07304307677907,
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"formula_full": "Np1 Mn2 Si2",
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},
{
"id": "jvasp-8472",
"created_at": "2022-09-04T14:37:03.198113Z",
"updated_at": "2022-09-04T14:37:03.198136Z",
"structure_string": "Np1 Mn2 Ge2\n1.0\n3.823833 -0.000000 -1.330647\n-0.463049 3.795692 -1.330647\n-0.203153 -0.229442 5.575732\nNp Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Np\n0.750000 0.250000 0.499999 Mn\n0.250000 0.750000 0.499999 Mn\n0.627708 0.627708 0.255415 Ge\n0.372292 0.372292 0.744584 Ge\n",
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}
]
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