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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4452",
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"results": [
{
"id": "jvasp-9169",
"created_at": "2022-09-04T14:37:04.341325Z",
"updated_at": "2022-09-04T14:37:04.341358Z",
"structure_string": "Ca2 N12\n1.0\n5.280845 0.000000 2.774878\n2.640422 5.528393 1.387439\n0.034258 0.000000 6.347204\nCa N\n2 12\ndirect\n0.625000 0.750000 0.750000 Ca\n0.375000 0.250000 0.250000 Ca\n0.834459 0.386937 0.497961 N\n0.219356 0.113063 0.002040 N\n0.001174 0.250000 0.997651 N\n0.748825 0.250000 0.502348 N\n0.998825 0.750000 0.002349 N\n0.251174 0.750000 0.497652 N\n0.332419 0.886937 0.502040 N\n0.221396 0.613062 0.997960 N\n0.780643 0.886937 0.997960 N\n0.165541 0.613062 0.502040 N\n0.667580 0.113063 0.497960 N\n0.778603 0.386937 0.002040 N\n",
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{
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"updated_at": "2022-09-04T14:38:47.717488Z",
"structure_string": "Ca1 Mn28\n1.0\n7.054808 -0.000000 -2.494251\n-3.527404 6.109643 -2.494251\n-0.000000 -0.000000 7.482754\nCa Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Ca\n0.621422 0.621421 0.821240 Mn\n0.199819 0.000000 0.378579 Mn\n0.000000 0.199819 0.378579 Mn\n0.800181 0.800180 0.178760 Mn\n0.800181 0.178759 0.800181 Mn\n0.000000 0.378579 0.199819 Mn\n0.199819 0.378579 0.000000 Mn\n0.378579 0.000000 0.199819 Mn\n0.178760 0.800180 0.800181 Mn\n0.378579 0.199819 0.000000 Mn\n0.605849 0.287517 0.605848 Mn\n0.287518 0.605848 0.605848 Mn\n0.821241 0.621421 0.621421 Mn\n0.605849 0.605848 0.287518 Mn\n0.000000 0.681669 0.394151 Mn\n0.318331 0.318331 0.712482 Mn\n0.318331 0.712482 0.318331 Mn\n0.000000 0.394151 0.681669 Mn\n0.681669 0.394151 0.000000 Mn\n0.394152 0.000000 0.681669 Mn\n0.712483 0.318331 0.318331 Mn\n0.394152 0.681669 0.000000 Mn\n0.378004 0.378003 0.378003 Mn\n0.000000 0.000000 0.621996 Mn\n0.000000 0.621996 0.000000 Mn\n0.621997 0.000000 0.000000 Mn\n0.681669 0.000000 0.394151 Mn\n0.621422 0.821240 0.621421 Mn\n",
"nsites": 29,
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"elements": [
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"chemical_system": "Ca-Mn",
"density": 8.126210290296271,
"density_atomic": 0.08991569328731767,
"volume": 322.52434408010464,
"volume_molar": 6.697541374403665,
"formula_full": "Ca1 Mn28",
"formula_reduced": "CaMn28",
"formula_anonymous": "AB28",
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"spacegroup": 217
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{
"id": "jvasp-79198",
"created_at": "2022-09-04T14:36:38.648227Z",
"updated_at": "2022-09-04T14:36:38.648256Z",
"structure_string": "Ca3 Mg1\n1.0\n3.803423 0.000000 0.000000\n-1.901712 3.293860 -0.000000\n-0.000000 -0.000000 11.734606\nCa Mg\n3 1\ndirect\n0.666667 0.333333 0.000000 Ca\n0.000000 0.000000 0.271110 Ca\n0.000000 0.000000 0.728890 Ca\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ca-Mg",
"density": 1.6326228334217208,
"density_atomic": 0.02720894572192508,
"volume": 147.01047371992746,
"volume_molar": 22.132944148392102,
"formula_full": "Ca3 Mg1",
"formula_reduced": "Ca3Mg",
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"energy_above_hull": 0.0122449999999999,
"spacegroup": 187
},
{
"id": "jvasp-100152",
"created_at": "2022-09-04T14:36:36.815123Z",
"updated_at": "2022-09-04T14:36:36.815144Z",
"structure_string": "Ca2 Mg2\n1.0\n3.929097 0.000000 0.000000\n0.000000 5.573696 0.000000\n0.000000 -0.000000 5.574151\nCa Mg\n2 2\ndirect\n0.500000 0.750001 0.250125 Ca\n0.500000 0.250000 0.749875 Ca\n0.000000 0.750001 0.750195 Mg\n0.000000 0.250000 0.249805 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Mg"
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"chemical_system": "Ca-Mg",
"density": 1.7516024529549765,
"density_atomic": 0.03276764528183355,
"volume": 122.07163394244898,
"volume_molar": 18.37831406011554,
"formula_full": "Ca2 Mg2",
"formula_reduced": "CaMg",
"formula_anonymous": "AB",
"energy_above_hull": 0.2141465,
"spacegroup": 221
},
{
"id": "jvasp-93312",
"created_at": "2022-09-04T14:36:32.331159Z",
"updated_at": "2022-09-04T14:36:32.331183Z",
"structure_string": "Ca4 Mg2\n1.0\n3.777466 0.000000 -0.000000\n-1.888733 3.271381 -0.000000\n-0.000000 -0.000000 17.175212\nCa Mg\n4 2\ndirect\n0.666668 0.333333 0.000000 Ca\n0.000000 0.000000 0.814412 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.185588 Ca\n0.666668 0.333333 0.657468 Mg\n0.666668 0.333333 0.342532 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"chemical_system": "Ca-Mg",
"density": 1.6345547599667438,
"density_atomic": 0.028269456106631525,
"volume": 212.24320614334366,
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"formula_full": "Ca4 Mg2",
"formula_reduced": "Ca2Mg",
"formula_anonymous": "AB2",
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"spacegroup": 187
},
{
"id": "jvasp-93315",
"created_at": "2022-09-04T14:36:33.109822Z",
"updated_at": "2022-09-04T14:36:33.109851Z",
"structure_string": "Ca1 Mg5\n1.0\n3.368042 0.000000 -0.000000\n-1.684021 2.916809 0.000000\n0.000000 -0.000000 15.748307\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.820360 Mg\n0.000000 0.000000 0.659676 Mg\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.340324 Mg\n0.666667 0.333333 0.179641 Mg\n",
"nsites": 6,
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"elements": [
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"volume": 154.71034776082948,
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"formula_full": "Ca1 Mg5",
"formula_reduced": "CaMg5",
"formula_anonymous": "AB5",
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"spacegroup": 187
},
{
"id": "jvasp-79196",
"created_at": "2022-09-04T14:36:38.238385Z",
"updated_at": "2022-09-04T14:36:38.238414Z",
"structure_string": "Ca1 Mg3\n1.0\n3.472911 0.000000 -0.000000\n-1.736455 3.007628 0.000000\n0.000000 -0.000000 10.576092\nCa Mg\n1 3\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333333 0.764433 Mg\n0.666666 0.333333 0.235567 Mg\n",
"nsites": 4,
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"elements": [
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"density": 1.6984690747185434,
"density_atomic": 0.036209038959924056,
"volume": 110.46965384602379,
"volume_molar": 16.631595129230764,
"formula_full": "Ca1 Mg3",
"formula_reduced": "CaMg3",
"formula_anonymous": "AB3",
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"spacegroup": 187
},
{
"id": "jvasp-100870",
"created_at": "2022-09-04T14:36:35.384783Z",
"updated_at": "2022-09-04T14:36:35.384806Z",
"structure_string": "Ca1 Mg3\n1.0\n4.540417 -0.000000 2.621411\n1.513472 4.280746 2.621411\n-0.000000 -0.000000 5.242822\nCa Mg\n1 3\ndirect\n0.500000 0.500000 0.499999 Ca\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750001 0.749999 Mg\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.039253616715071944,
"volume": 101.90143825560276,
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"formula_full": "Ca1 Mg3",
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"spacegroup": 225
},
{
"id": "jvasp-93313",
"created_at": "2022-09-04T14:36:35.535802Z",
"updated_at": "2022-09-04T14:36:35.535823Z",
"structure_string": "Ca4 Mg2\n1.0\n6.386978 0.000000 0.000000\n-3.193489 5.531285 -0.000000\n-0.000000 0.000000 5.833587\nCa Mg\n4 2\ndirect\n0.000000 0.650542 0.500000 Ca\n0.650542 -0.000000 0.500000 Ca\n0.349458 0.349459 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666668 0.000000 Mg\n",
"nsites": 6,
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"elements": [
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"density": 1.683356640875038,
"density_atomic": 0.029113479607126642,
"volume": 206.09010262487723,
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"formula_full": "Ca4 Mg2",
"formula_reduced": "Ca2Mg",
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"spacegroup": 189
},
{
"id": "jvasp-93325",
"created_at": "2022-09-04T14:35:46.183631Z",
"updated_at": "2022-09-04T14:35:46.183659Z",
"structure_string": "Ca3 Mg3\n1.0\n3.672440 -0.000000 0.000000\n-1.836219 3.180427 -0.000000\n0.000000 -0.000000 16.568727\nCa Mg\n3 3\ndirect\n0.333333 0.666668 0.000000 Ca\n0.000000 0.000000 0.806605 Ca\n0.000000 0.000000 0.193395 Ca\n0.333333 0.666668 0.642986 Mg\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666668 0.357014 Mg\n",
"nsites": 6,
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"elements": [
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},
{
"id": "jvasp-90599",
"created_at": "2022-09-04T14:36:06.145966Z",
"updated_at": "2022-09-04T14:36:06.145986Z",
"structure_string": "Ca2 Mg6\n1.0\n5.266375 0.000000 0.000000\n-0.000000 5.266375 0.000000\n-0.000000 0.000000 7.441391\nCa Mg\n2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n",
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"formula_full": "Ca2 Mg6",
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"spacegroup": 225
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{
"id": "jvasp-93320",
"created_at": "2022-09-04T14:36:05.816320Z",
"updated_at": "2022-09-04T14:36:05.816345Z",
"structure_string": "Ca1 Mg5\n1.0\n5.891068 0.000000 -0.000000\n-2.945534 5.101815 0.000000\n-0.000000 -0.000000 5.116417\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.603977 0.000000 Mg\n0.603978 0.000000 0.000000 Mg\n0.396023 0.396022 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666666 0.500000 Mg\n",
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"formula_full": "Ca1 Mg5",
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}
]
}