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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4407",
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{
"id": "jvasp-94182",
"created_at": "2022-09-04T14:35:45.487063Z",
"updated_at": "2022-09-04T14:35:45.487093Z",
"structure_string": "Mg6 Si1 Ni1\n1.0\n6.135792 0.030955 0.000000\n-3.041088 5.329228 0.000000\n0.000000 0.000000 4.624007\nMg Si Ni\n6 1 1\ndirect\n0.166099 0.852182 0.250000 Mg\n0.647818 0.333901 0.250000 Mg\n0.662679 0.837322 0.250000 Mg\n0.324766 0.642042 0.750001 Mg\n0.857958 0.175235 0.750001 Mg\n0.832268 0.667733 0.750001 Mg\n0.317441 0.182559 0.750001 Si\n0.190970 0.309030 0.250000 Ni\n",
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{
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"updated_at": "2022-09-04T14:35:43.178613Z",
"structure_string": "Mg6 Cr1 Ga1\n1.0\n6.193614 0.009195 0.000000\n-3.088844 5.368424 0.000000\n0.000000 0.000000 4.890712\nMg Cr Ga\n6 1 1\ndirect\n0.169544 0.839121 0.250000 Mg\n0.660878 0.330455 0.250000 Mg\n0.665986 0.834012 0.250000 Mg\n0.330556 0.655865 0.750000 Mg\n0.844134 0.169443 0.750000 Mg\n0.832553 0.667445 0.750000 Mg\n0.171785 0.328215 0.250000 Cr\n0.324561 0.175438 0.750000 Ga\n",
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{
"id": "jvasp-92194",
"created_at": "2022-09-04T14:35:44.174341Z",
"updated_at": "2022-09-04T14:35:44.174369Z",
"structure_string": "Mg6 Zn1 Fe1\n1.0\n6.082481 -0.039688 0.000000\n-3.075612 5.327116 0.000000\n0.000000 0.000000 4.771826\nMg Zn Fe\n6 1 1\ndirect\n0.667619 0.335336 0.250000 Mg\n0.667619 0.832283 0.250000 Mg\n0.322435 0.153441 0.750001 Mg\n0.322436 0.668996 0.750001 Mg\n0.840894 0.170447 0.750001 Mg\n0.848319 0.674160 0.750001 Mg\n0.166859 0.333430 0.250000 Zn\n0.163820 0.831910 0.250000 Fe\n",
"nsites": 8,
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"elements": [
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"density": 2.8792449636505295,
"density_atomic": 0.05193637495204996,
"volume": 154.03462423755926,
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"formula_full": "Mg6 Zn1 Fe1",
"formula_reduced": "Mg6ZnFe",
"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-95060",
"created_at": "2022-09-04T14:35:45.576969Z",
"updated_at": "2022-09-04T14:35:45.576985Z",
"structure_string": "Tb1 Cu4 Au1\n1.0\n-3.571506 -3.571506 -0.000000\n-3.571506 0.000000 -3.571506\n0.000000 -3.571506 -3.571506\nTb Cu Au\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.872434 0.375856 0.375856 Cu\n0.375856 0.872434 0.375856 Cu\n0.375856 0.375856 0.872434 Cu\n0.375856 0.375856 0.375856 Cu\n0.750001 0.750001 0.750001 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
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"density": 11.118567383174533,
"density_atomic": 0.06585171691147608,
"volume": 91.11379750456243,
"volume_molar": 9.145001895843528,
"formula_full": "Tb1 Cu4 Au1",
"formula_reduced": "TbCu4Au",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-93135",
"created_at": "2022-09-04T14:35:41.928571Z",
"updated_at": "2022-09-04T14:35:41.928606Z",
"structure_string": "La1 Mg6 Sb1\n1.0\n7.151213 -0.357274 0.000000\n-3.885015 6.014495 0.000000\n0.000000 0.000000 4.950679\nLa Mg Sb\n1 6 1\ndirect\n0.193303 0.306697 0.250000 La\n0.156988 0.794117 0.250000 Mg\n0.705882 0.343012 0.250000 Mg\n0.647366 0.852634 0.250000 Mg\n0.313714 0.678248 0.750000 Mg\n0.821751 0.186287 0.750000 Mg\n0.792915 0.707085 0.750000 Mg\n0.368083 0.131917 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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"Mg",
"Sb"
],
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"density": 3.275725456559809,
"density_atomic": 0.03882332031367656,
"volume": 206.06171588012745,
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"formula_full": "La1 Mg6 Sb1",
"formula_reduced": "LaMg6Sb",
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"spacegroup": 38
},
{
"id": "jvasp-105614",
"created_at": "2022-09-04T14:35:45.675421Z",
"updated_at": "2022-09-04T14:35:45.675437Z",
"structure_string": "K3 Y1 Cl6\n1.0\n6.750588 -0.000000 3.897453\n2.250196 6.364515 3.897453\n-0.000000 -0.000000 7.794907\nK Y Cl\n3 1 6\ndirect\n0.750000 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Y\n0.763038 0.236962 0.236961 Cl\n0.236962 0.236962 0.763038 Cl\n0.236962 0.763039 0.763037 Cl\n0.236962 0.763039 0.236961 Cl\n0.763038 0.236962 0.763038 Cl\n0.763039 0.763039 0.236961 Cl\n",
"nsites": 10,
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"elements": [
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"Y",
"Cl"
],
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"density": 2.0771173863162367,
"density_atomic": 0.02985947341760762,
"volume": 334.90208819634347,
"volume_molar": 20.16827515936315,
"formula_full": "K3 Y1 Cl6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 225
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{
"id": "jvasp-68108",
"created_at": "2022-09-04T14:35:46.832338Z",
"updated_at": "2022-09-04T14:35:46.832355Z",
"structure_string": "K1 Be1 Zn2\n1.0\n-2.448215 2.448215 3.463081\n2.448215 -2.448215 3.463081\n2.448215 2.448215 -3.463081\nK Be Zn\n1 1 2\ndirect\n0.750001 0.250000 0.500001 K\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n0.250000 0.750001 0.500001 Zn\n",
"nsites": 4,
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"density": 3.578547819463868,
"density_atomic": 0.0481768323338257,
"volume": 83.02745959475502,
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"formula_full": "K1 Be1 Zn2",
"formula_reduced": "KBeZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-66406",
"created_at": "2022-09-04T14:35:45.534999Z",
"updated_at": "2022-09-04T14:35:45.535017Z",
"structure_string": "Ba1 Ga1 Te1\n1.0\n-0.000000 3.937969 3.937969\n3.937969 0.000000 3.937969\n3.937969 3.937969 0.000000\nBa Ga Te\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Te\n",
"nsites": 3,
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"elements": [
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],
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"density": 4.549807812434851,
"density_atomic": 0.024562602498340715,
"volume": 122.13689490772242,
"volume_molar": 24.517519104121053,
"formula_full": "Ba1 Ga1 Te1",
"formula_reduced": "BaGaTe",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-64515",
"created_at": "2022-09-04T14:35:43.978087Z",
"updated_at": "2022-09-04T14:35:43.978111Z",
"structure_string": "Ba4 Mg1 In1\n1.0\n0.000000 5.125451 5.125451\n5.125451 -0.000000 5.125451\n5.125451 5.125451 -0.000000\nBa Mg In\n4 1 1\ndirect\n0.126988 0.624337 0.624337 Ba\n0.624337 0.624337 0.624337 Ba\n0.624337 0.126988 0.624337 Ba\n0.624337 0.624337 0.126988 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 In\n",
"nsites": 6,
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"elements": [
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"In"
],
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"density": 4.245054421538064,
"density_atomic": 0.022280503291569158,
"volume": 269.2937372860142,
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"formula_full": "Ba4 Mg1 In1",
"formula_reduced": "Ba4MgIn",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-1738",
"created_at": "2022-09-04T14:35:45.229215Z",
"updated_at": "2022-09-04T14:35:45.229235Z",
"structure_string": "Rb2 Se1\n1.0\n4.900764 0.000000 2.829457\n1.633588 4.620485 2.829457\n0.000000 0.000000 5.658915\nRb Se\n2 1\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Se\n",
"nsites": 3,
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"elements": [
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"volume": 128.13994243744906,
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"formula_full": "Rb2 Se1",
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},
{
"id": "jvasp-109658",
"created_at": "2022-09-04T14:38:16.940028Z",
"updated_at": "2022-09-04T14:38:16.940050Z",
"structure_string": "Yb2 Ge2 Au2\n1.0\n4.480812 0.015626 3.532883\n2.235219 3.883518 3.532883\n-0.015283 -0.008873 7.174478\nYb Ge Au\n2 2 2\ndirect\n0.539728 0.539729 0.697447 Yb\n0.460272 0.460273 0.302552 Yb\n0.845841 0.845843 0.101097 Ge\n0.154158 0.154159 0.898902 Ge\n0.177209 0.177210 0.284118 Au\n0.822790 0.822792 0.715881 Au\n",
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"formula_full": "Yb2 Ge2 Au2",
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},
{
"id": "jvasp-34954",
"created_at": "2022-09-04T14:38:29.114122Z",
"updated_at": "2022-09-04T14:38:29.114147Z",
"structure_string": "Na6 Ho2 Cl12\n1.0\n0.000000 6.740552 -0.017965\n7.251460 0.000000 0.000000\n0.000000 -6.575418 -10.055521\nNa Ho Cl\n6 2 12\ndirect\n0.499999 0.500000 0.500000 Na\n0.500000 0.000000 -0.000000 Na\n0.289862 0.913207 0.257088 Na\n0.710137 0.413207 0.242911 Na\n0.710137 0.086793 0.742911 Na\n0.289862 0.586793 0.757088 Na\n0.000000 0.500000 0.000000 Ho\n-0.000000 0.000000 0.500000 Ho\n0.386731 0.820574 0.568551 Cl\n0.613268 0.320574 0.931448 Cl\n0.753666 0.692559 0.421258 Cl\n0.246333 0.192559 0.078741 Cl\n0.246333 0.307441 0.578741 Cl\n0.905225 0.061899 0.258929 Cl\n0.094774 0.938101 0.741071 Cl\n0.905225 0.438101 0.758929 Cl\n0.386731 0.679426 0.068551 Cl\n0.094774 0.561899 0.241071 Cl\n0.753665 0.807441 0.921258 Cl\n0.613268 0.179426 0.431449 Cl\n",
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}