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"results": [
{
"id": "jvasp-117561",
"created_at": "2022-09-04T14:38:35.807535Z",
"updated_at": "2022-09-04T14:38:35.807568Z",
"structure_string": "Ba1 Se1 Cl1\n1.0\n-0.000000 3.780482 3.780482\n3.780482 -0.000000 3.780482\n3.780482 3.780482 -0.000000\nBa Se Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Cl\n",
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{
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"updated_at": "2022-09-04T14:35:48.915008Z",
"structure_string": "Ba4 Mn1 Rh1\n1.0\n0.000000 4.763202 4.763202\n4.763202 0.000000 4.763202\n4.763202 4.763202 0.000000\nBa Mn Rh\n4 1 1\ndirect\n0.123819 0.625393 0.625393 Ba\n0.625393 0.625393 0.625393 Ba\n0.625393 0.123819 0.625393 Ba\n0.625393 0.625393 0.123819 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "jvasp-117763",
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"structure_string": "Rb1 Ca1 Br3\n1.0\n5.647646 0.000000 0.000700\n0.000000 5.647659 0.000000\n-0.000479 0.000000 5.647591\nRb Ca Br\n1 1 3\ndirect\n0.000182 0.500000 0.010860 Rb\n0.499986 0.000000 0.512050 Ca\n0.999976 0.000000 0.512473 Br\n0.499917 0.000000 0.012147 Br\n0.499939 0.500000 0.512470 Br\n",
"nsites": 5,
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"spacegroup": 221
},
{
"id": "jvasp-87097",
"created_at": "2022-09-04T14:36:17.876629Z",
"updated_at": "2022-09-04T14:36:17.876658Z",
"structure_string": "K4 Mn2 Te4\n1.0\n6.356351 -0.000000 -2.736488\n-1.364141 6.507033 -3.168646\n-0.026534 0.057564 8.688917\nK Mn Te\n4 2 4\ndirect\n0.143189 0.465516 0.286378 K\n0.856811 0.534483 0.713622 K\n0.356811 0.179138 0.713622 K\n0.643189 0.820861 0.286377 K\n0.250000 0.000000 -0.000000 Mn\n0.750000 0.000000 -0.000000 Mn\n0.890982 0.092323 0.781963 Te\n0.109019 0.907676 0.218036 Te\n0.609018 0.310361 0.218036 Te\n0.390982 0.689638 0.781963 Te\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "K-Mn-Te",
"density": 3.5796476542822164,
"density_atomic": 0.027755883141383133,
"volume": 360.2839783213498,
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"formula_full": "K4 Mn2 Te4",
"formula_reduced": "K2MnTe2",
"formula_anonymous": "AB2C2",
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"spacegroup": 72
},
{
"id": "jvasp-69935",
"created_at": "2022-09-04T14:36:04.576470Z",
"updated_at": "2022-09-04T14:36:04.576493Z",
"structure_string": "Sr1 Ca1 Be1\n1.0\n2.103508 -3.643383 -0.000000\n2.103508 3.643383 -0.000000\n-0.000000 0.000000 7.051701\nSr Ca Be\n1 1 1\ndirect\n0.333334 0.666667 0.741947 Sr\n0.666667 0.333334 0.244071 Ca\n0.000000 -0.000000 0.013981 Be\n",
"nsites": 3,
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"elements": [
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"density": 2.1002794263828735,
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"spacegroup": 156
},
{
"id": "jvasp-66336",
"created_at": "2022-09-04T14:35:58.941729Z",
"updated_at": "2022-09-04T14:35:58.941754Z",
"structure_string": "Ba4 Ta1 Pt1\n1.0\n0.000000 4.763490 4.763490\n4.763490 -0.000000 4.763490\n4.763490 4.763490 -0.000000\nBa Ta Pt\n4 1 1\ndirect\n0.126665 0.624445 0.624445 Ba\n0.624445 0.624445 0.624445 Ba\n0.624445 0.126665 0.624445 Ba\n0.624445 0.624445 0.126665 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Pt\n",
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"elements": [
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{
"id": "jvasp-66247",
"created_at": "2022-09-04T14:35:45.397962Z",
"updated_at": "2022-09-04T14:35:45.397992Z",
"structure_string": "Ba4 Mo1 Ru1\n1.0\n-0.000000 4.763535 4.763535\n4.763535 -0.000000 4.763535\n4.763535 4.763535 -0.000000\nBa Mo Ru\n4 1 1\ndirect\n0.123912 0.625363 0.625363 Ba\n0.625363 0.625363 0.625363 Ba\n0.625363 0.123912 0.625363 Ba\n0.625363 0.625363 0.123912 Ba\n0.250000 0.250000 0.250000 Mo\n0.000000 0.000000 0.000000 Ru\n",
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"formula_full": "Ba4 Mo1 Ru1",
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"spacegroup": 216
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{
"id": "jvasp-115212",
"created_at": "2022-09-04T14:38:45.368345Z",
"updated_at": "2022-09-04T14:38:45.368370Z",
"structure_string": "Sr1 Li1 P1\n1.0\n4.992157 0.000000 0.000000\n-2.496078 4.323335 -0.000000\n-0.000000 0.000000 5.008294\nSr Li P\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Sr\n0.000000 0.000000 0.000000 Li\n0.333332 0.666666 0.000000 P\n",
"nsites": 3,
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"elements": [
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],
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"volume": 108.09284288816633,
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"spacegroup": 187
},
{
"id": "jvasp-66038",
"created_at": "2022-09-04T14:35:51.574840Z",
"updated_at": "2022-09-04T14:35:51.574877Z",
"structure_string": "Ba4 Ta1 Rh1\n1.0\n0.000000 4.763603 4.763603\n4.763603 -0.000000 4.763603\n4.763603 4.763603 -0.000000\nBa Ta Rh\n4 1 1\ndirect\n0.126099 0.624633 0.624633 Ba\n0.624633 0.624633 0.624633 Ba\n0.624633 0.126099 0.624633 Ba\n0.624633 0.624633 0.126099 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Rh\n",
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"density": 6.399433820096007,
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"volume": 216.19053484509848,
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"formula_full": "Ba4 Ta1 Rh1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66234",
"created_at": "2022-09-04T14:36:19.065547Z",
"updated_at": "2022-09-04T14:36:19.065566Z",
"structure_string": "Ba4 Os1 Cl1\n1.0\n-0.000000 4.763890 4.763890\n4.763890 -0.000000 4.763890\n4.763890 4.763890 -0.000000\nBa Os Cl\n4 1 1\ndirect\n0.122398 0.625867 0.625867 Ba\n0.625867 0.625867 0.625867 Ba\n0.625867 0.122398 0.625867 Ba\n0.625867 0.625867 0.122398 Ba\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 Cl\n",
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},
{
"id": "jvasp-27233",
"created_at": "2022-09-04T14:38:35.325521Z",
"updated_at": "2022-09-04T14:38:35.325552Z",
"structure_string": "Nb4 Te4 I12\n1.0\n0.000000 7.162971 -0.114548\n7.481183 0.000000 0.000000\n0.000000 -2.231216 -13.415300\nNb Te I\n4 4 12\ndirect\n0.066012 0.644832 0.152798 Nb\n0.933988 0.644832 0.347202 Nb\n0.933987 0.355168 0.847202 Nb\n0.066012 0.355168 0.652798 Nb\n0.821555 0.917977 0.196665 Te\n0.178445 0.917977 0.303335 Te\n0.178445 0.082023 0.803335 Te\n0.821554 0.082023 0.696665 Te\n0.738890 0.436922 0.192771 I\n0.261110 0.436922 0.307229 I\n0.364854 0.202709 0.570310 I\n0.635145 0.202709 0.929690 I\n0.635145 0.797290 0.429690 I\n0.152154 0.688484 0.544937 I\n0.847845 0.311516 0.455063 I\n0.152154 0.311516 0.044937 I\n0.738889 0.563077 0.692771 I\n0.847845 0.688484 0.955063 I\n0.364855 0.797290 0.070310 I\n0.261110 0.563077 0.807229 I\n",
"nsites": 20,
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],
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"density": 5.540193441290658,
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{
"id": "jvasp-65588",
"created_at": "2022-09-04T14:36:09.161291Z",
"updated_at": "2022-09-04T14:36:09.161310Z",
"structure_string": "Ba2 Sc1 Cr1\n1.0\n0.000000 4.161868 4.161868\n4.161868 0.000000 4.161868\n4.161868 4.161868 0.000000\nBa Sc Cr\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Cr\n",
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