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{
"id": "jvasp-75597",
"created_at": "2022-09-04T14:36:03.625354Z",
"updated_at": "2022-09-04T14:36:03.625375Z",
"structure_string": "Zr1 Mn2 As1\n1.0\n-0.000000 3.158167 3.158167\n3.158167 0.000000 3.158167\n3.158167 3.158167 0.000000\nZr Mn As\n1 2 1\ndirect\n0.750001 0.750001 0.750001 Zr\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500001 0.500001 0.500001 As\n",
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{
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"structure_string": "Zr2 Mn6\n1.0\n5.518982 0.000000 0.000000\n-2.759491 4.779578 0.000000\n-0.000000 -0.000000 4.355475\nZr Mn\n2 6\ndirect\n0.333333 0.666667 0.749999 Zr\n0.666667 0.333333 0.250000 Zr\n0.147826 0.295654 0.250000 Mn\n0.704346 0.852174 0.250000 Mn\n0.147827 0.852174 0.250000 Mn\n0.852174 0.704346 0.749999 Mn\n0.295654 0.147826 0.749999 Mn\n0.852173 0.147826 0.749999 Mn\n",
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{
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"structure_string": "Zr1 Mn6 Ga2 Sn4\n1.0\n5.282042 -0.000000 0.000000\n-2.641021 4.574383 0.000000\n-0.000000 -0.000000 8.967924\nZr Mn Ga Sn\n1 6 2 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.748550 Mn\n0.500000 0.000000 0.748550 Mn\n-0.000000 0.500000 0.748550 Mn\n0.500000 0.500000 0.251449 Mn\n0.500000 0.000000 0.251449 Mn\n-0.000000 0.500000 0.251449 Mn\n0.000000 0.000000 0.804377 Ga\n0.000000 0.000000 0.195623 Ga\n0.666666 0.333333 -0.000000 Sn\n0.333333 0.666666 -0.000000 Sn\n0.666666 0.333333 0.500000 Sn\n0.333333 0.666666 0.500000 Sn\n",
"nsites": 13,
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"density_atomic": 0.05999527647248683,
"volume": 216.68372519229337,
"volume_molar": 10.037691488531916,
"formula_full": "Zr1 Mn6 Ga2 Sn4",
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"spacegroup": 191
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{
"id": "jvasp-67199",
"created_at": "2022-09-04T14:35:51.775525Z",
"updated_at": "2022-09-04T14:35:51.775552Z",
"structure_string": "Zr1 Mn1 Be1\n1.0\n1.525809 -2.642778 0.000000\n1.525809 2.642778 -0.000000\n0.000000 0.000000 5.737346\nZr Mn Be\n1 1 1\ndirect\n0.666667 0.333333 0.318601 Zr\n0.333333 0.666667 0.712129 Mn\n0.000000 -0.000000 0.969272 Be\n",
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"elements": [
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"formula_reduced": "ZrMnBe",
"formula_anonymous": "ABC",
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"spacegroup": 156
},
{
"id": "jvasp-100781",
"created_at": "2022-09-04T14:36:34.872224Z",
"updated_at": "2022-09-04T14:36:34.872242Z",
"structure_string": "Zr1 Mn1 Cu2 Se4\n1.0\n6.103653 -0.201583 2.733085\n4.262977 4.372899 2.733085\n0.158330 0.063709 6.170647\nZr Mn Cu Se\n1 1 2 4\ndirect\n0.493094 0.493095 0.160871 Zr\n0.247020 0.247021 0.762457 Mn\n0.036431 0.036431 0.384705 Cu\n0.705000 0.705001 0.546100 Cu\n0.740653 0.740655 0.896816 Se\n0.250257 0.250258 0.346762 Se\n0.493205 0.493206 0.577734 Se\n0.002265 0.002265 0.022052 Se\n",
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"elements": [
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"density_atomic": 0.04770385800674382,
"volume": 167.70132090509435,
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"formula_full": "Zr1 Mn1 Cu2 Se4",
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"spacegroup": 8
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{
"id": "jvasp-118286",
"created_at": "2022-09-04T14:38:51.441113Z",
"updated_at": "2022-09-04T14:38:51.441145Z",
"structure_string": "Zr1 Mn1 F1\n1.0\n2.717843 0.000000 -0.000000\n0.000000 2.717843 -0.000000\n0.000000 -0.000000 6.621706\nZr Mn F\n1 1 1\ndirect\n0.000000 0.000000 0.687151 Zr\n0.000000 0.000000 0.299014 Mn\n0.000000 0.000000 0.000557 F\n",
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"volume": 48.91236085093331,
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"spacegroup": 99
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{
"id": "jvasp-118287",
"created_at": "2022-09-04T14:38:49.847463Z",
"updated_at": "2022-09-04T14:38:49.847499Z",
"structure_string": "Zr1 Mn1 F2\n1.0\n3.864445 0.000000 0.000000\n0.000000 3.864445 0.000000\n0.000000 0.000000 4.059283\nZr Mn F\n1 1 2\ndirect\n0.500001 0.500001 0.752532 Zr\n0.000000 0.000000 0.752453 Mn\n0.000000 0.000000 0.252496 F\n0.500001 0.500001 0.252519 F\n",
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"volume": 60.621069110073186,
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"formula_full": "Zr1 Mn1 F2",
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"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-118285",
"created_at": "2022-09-04T14:38:49.505005Z",
"updated_at": "2022-09-04T14:38:49.505027Z",
"structure_string": "Zr1 Mn1 F3\n1.0\n3.178638 -3.716973 0.081251\n3.178638 3.716973 0.081251\n-0.074856 0.000000 2.936169\nZr Mn F\n1 1 3\ndirect\n0.911166 0.911166 0.000007 Zr\n0.302343 0.302343 0.499962 Mn\n0.566431 0.566431 -0.000053 F\n0.068669 0.641019 0.500017 F\n0.641019 0.068669 0.500017 F\n",
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"volume": 69.42636867680218,
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"formula_full": "Zr1 Mn1 F3",
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"formula_anonymous": "ABC3",
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"spacegroup": 38
},
{
"id": "jvasp-118288",
"created_at": "2022-09-04T14:38:50.810558Z",
"updated_at": "2022-09-04T14:38:50.810591Z",
"structure_string": "Zr1 Mn1 F3\n1.0\n3.973195 -0.000000 0.000000\n-0.000000 3.973195 -0.000000\n0.000000 0.000000 3.973195\nZr Mn F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n",
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"formula_full": "Zr1 Mn1 F3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-108690",
"created_at": "2022-09-04T14:38:01.591334Z",
"updated_at": "2022-09-04T14:38:01.591361Z",
"structure_string": "Zr1 Mn1 F6\n1.0\n5.058241 -0.000000 2.920377\n1.686080 4.768955 2.920377\n-0.000000 -0.000000 5.840753\nZr Mn F\n1 1 6\ndirect\n0.500000 0.500001 0.500000 Zr\n0.000000 0.000000 0.000000 Mn\n0.745190 0.254810 0.254810 F\n0.254809 0.745191 0.745190 F\n0.254809 0.745191 0.254810 F\n0.745190 0.254810 0.745190 F\n0.254809 0.254810 0.745190 F\n0.745190 0.745191 0.254810 F\n",
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"formula_full": "Zr1 Mn1 F6",
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"spacegroup": 225
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{
"id": "jvasp-12287",
"created_at": "2022-09-04T14:36:51.481707Z",
"updated_at": "2022-09-04T14:36:51.481737Z",
"structure_string": "Zr4 Mn4 Ge4\n1.0\n3.754457 0.000000 0.000000\n-0.000000 6.709582 0.000000\n0.000000 0.000000 7.832930\nZr Mn Ge\n4 4 4\ndirect\n0.250000 0.533808 0.680169 Zr\n0.250000 0.033808 0.819831 Zr\n0.750001 0.966191 0.180169 Zr\n0.750001 0.466192 0.319831 Zr\n0.750001 0.866143 0.563608 Mn\n0.250000 0.133857 0.436392 Mn\n0.750001 0.366143 0.936392 Mn\n0.250000 0.633856 0.063608 Mn\n0.750001 0.737061 0.876949 Ge\n0.250000 0.762939 0.376949 Ge\n0.250000 0.262939 0.123051 Ge\n0.750001 0.237061 0.623051 Ge\n",
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"density": 7.365353921702076,
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"formula_full": "Zr4 Mn4 Ge4",
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{
"id": "jvasp-23734",
"created_at": "2022-09-04T14:37:39.399045Z",
"updated_at": "2022-09-04T14:37:39.399056Z",
"structure_string": "Zr1 Mn6 Ge6\n1.0\n2.521494 -4.367356 0.000000\n2.521494 4.367356 0.000000\n-0.000000 -0.000000 8.062989\nZr Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500000 -0.000001 0.251174 Mn\n0.499999 0.499999 0.251174 Mn\n-0.000001 0.500000 0.251174 Mn\n0.500000 -0.000001 0.748827 Mn\n0.499999 0.499999 0.748827 Mn\n-0.000001 0.500000 0.748827 Mn\n0.000000 0.000000 0.158044 Ge\n0.000000 0.000000 0.841956 Ge\n0.333332 0.666666 0.500000 Ge\n0.666666 0.333332 0.500000 Ge\n0.333332 0.666666 0.000000 Ge\n0.666666 0.333332 0.000000 Ge\n",
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