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{
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"results": [
{
"id": "jvasp-57828",
"created_at": "2022-09-04T14:37:16.232008Z",
"updated_at": "2022-09-04T14:37:16.232025Z",
"structure_string": "Ag4 Hg4 S4 I4\n1.0\n4.639588 0.000000 0.000000\n0.000000 10.236913 -0.000000\n0.000000 0.000000 9.960732\nAg Hg S I\n4 4 4 4\ndirect\n0.000000 0.210652 0.416951 Ag\n0.000000 0.789347 0.916951 Ag\n0.000000 0.789347 0.583048 Ag\n0.000000 0.210652 0.083049 Ag\n0.500000 0.235914 0.750000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.764086 0.250000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.261834 0.507424 S\n0.500000 0.738165 0.492575 S\n0.500000 0.261834 0.992575 S\n0.500000 0.738165 0.007425 S\n0.000000 0.526183 0.750000 I\n0.000000 0.987537 0.250000 I\n0.000000 0.473817 0.250000 I\n0.000000 0.012463 0.750000 I\n",
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{
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"updated_at": "2022-09-04T14:38:10.204128Z",
"structure_string": "Zn1 Ga1 P1 S1\n1.0\n3.706157 0.002453 5.599429\n1.687050 3.299920 5.599429\n0.004006 0.002453 6.714849\nZn Ga P S\n1 1 1 1\ndirect\n0.001775 0.001775 0.001775 Zn\n0.498840 0.498838 0.498838 Ga\n0.125862 0.125861 0.125861 P\n0.623527 0.623525 0.623526 S\n",
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"formula_full": "Zn1 Ga1 P1 S1",
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},
{
"id": "jvasp-79604",
"created_at": "2022-09-04T14:37:16.183202Z",
"updated_at": "2022-09-04T14:37:16.183230Z",
"structure_string": "V1 Ga1 Fe1 Co1\n1.0\n-2.864803 -2.864803 -0.000000\n-2.864803 -0.000000 -2.864803\n0.000000 -2.864803 -2.864803\nV Ga Fe Co\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Ga\n0.749999 0.749999 0.749999 Fe\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
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"elements": [
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"Co"
],
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"density": 8.314191698150028,
"density_atomic": 0.08506398166940071,
"volume": 47.02342779516143,
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"formula_full": "V1 Ga1 Fe1 Co1",
"formula_reduced": "VGaFeCo",
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},
{
"id": "jvasp-97402",
"created_at": "2022-09-04T14:36:20.145179Z",
"updated_at": "2022-09-04T14:36:20.145201Z",
"structure_string": "Cu4 Hg4 S4 I4\n1.0\n7.062357 0.000000 0.000000\n0.000000 7.182381 0.000000\n0.000000 0.000000 8.471726\nCu Hg S I\n4 4 4 4\ndirect\n0.293368 0.077102 0.357037 Cu\n0.793368 0.922898 0.642963 Cu\n0.793368 0.422898 0.857037 Cu\n0.293368 0.577102 0.142963 Cu\n0.189346 0.032831 0.946766 Hg\n0.689346 0.967169 0.053235 Hg\n0.689346 0.467169 0.446766 Hg\n0.189346 0.532831 0.553235 Hg\n0.875399 0.117521 0.841696 S\n0.375398 0.882479 0.158305 S\n0.375398 0.382479 0.341696 S\n0.875399 0.617521 0.658305 S\n0.408358 0.915633 0.624247 I\n0.908358 0.084367 0.375754 I\n0.908358 0.584367 0.124246 I\n0.408358 0.415633 0.875754 I\n",
"nsites": 16,
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"elements": [
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"S",
"I"
],
"chemical_system": "Cu-Hg-I-S",
"density": 6.539849007112141,
"density_atomic": 0.03723316674075217,
"volume": 429.7243936140355,
"volume_molar": 16.174129914683544,
"formula_full": "Cu4 Hg4 S4 I4",
"formula_reduced": "CuHgSI",
"formula_anonymous": "ABCD",
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"spacegroup": 33
},
{
"id": "jvasp-37190",
"created_at": "2022-09-04T14:35:53.921928Z",
"updated_at": "2022-09-04T14:35:53.921951Z",
"structure_string": "Mn1 Ga1 Fe1 Co1\n1.0\n2.848077 2.848077 -0.000000\n2.848077 -0.000000 -2.848077\n0.000000 2.848077 -2.848077\nMn Ga Fe Co\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ga\n0.750001 0.750001 0.750001 Fe\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.6051658948785,
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"volume": 46.20459581536367,
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"formula_full": "Mn1 Ga1 Fe1 Co1",
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"formula_anonymous": "ABCD",
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},
{
"id": "jvasp-102642",
"created_at": "2022-09-04T14:37:01.164937Z",
"updated_at": "2022-09-04T14:37:01.164963Z",
"structure_string": "Zr1 Nb1 C1 N1\n1.0\n3.086200 -0.001690 4.679502\n1.402903 2.748908 4.679502\n-0.002761 -0.001690 5.605566\nZr Nb C N\n1 1 1 1\ndirect\n0.251758 0.251758 0.251758 Zr\n0.747175 0.747176 0.747176 Nb\n0.002286 0.002286 0.002286 C\n0.498779 0.498780 0.498780 N\n",
"nsites": 4,
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"elements": [
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],
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"formula_full": "Zr1 Nb1 C1 N1",
"formula_reduced": "ZrNbCN",
"formula_anonymous": "ABCD",
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"spacegroup": 160
},
{
"id": "jvasp-116823",
"created_at": "2022-09-04T14:38:48.480404Z",
"updated_at": "2022-09-04T14:38:48.480417Z",
"structure_string": "Li4 Ni4 O4 F4\n1.0\n2.899602 0.000000 0.000000\n0.000000 2.899602 0.000000\n-0.000000 -0.000000 16.643103\nLi Ni O F\n4 4 4 4\ndirect\n-0.000000 0.500000 0.319185 Li\n0.500000 -0.000000 0.441181 Li\n-0.000000 0.500000 0.558819 Li\n0.500000 -0.000000 0.680815 Li\n-0.000000 0.500000 0.810523 Ni\n0.500000 -0.000000 0.935692 Ni\n-0.000000 0.500000 0.064308 Ni\n0.500000 -0.000000 0.189476 Ni\n0.500000 -0.000000 0.809377 O\n-0.000000 0.500000 0.938783 O\n0.500000 -0.000000 0.061216 O\n-0.000000 0.500000 0.190623 O\n0.500000 -0.000000 0.322822 F\n-0.000000 0.500000 0.440270 F\n0.500000 -0.000000 0.559730 F\n-0.000000 0.500000 0.677178 F\n",
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],
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"density": 4.776777226408081,
"density_atomic": 0.11434282041648836,
"volume": 139.93007992736887,
"volume_molar": 5.266741486754162,
"formula_full": "Li4 Ni4 O4 F4",
"formula_reduced": "LiNiOF",
"formula_anonymous": "ABCD",
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"spacegroup": 129
},
{
"id": "jvasp-34458",
"created_at": "2022-09-04T14:37:16.007207Z",
"updated_at": "2022-09-04T14:37:16.007234Z",
"structure_string": "Cu4 Hg4 S4 Br4\n1.0\n4.099026 0.000000 0.000000\n0.000000 9.466352 -0.000000\n0.000000 -0.000000 10.105669\nCu Hg S Br\n4 4 4 4\ndirect\n0.000000 0.202209 0.075239 Cu\n0.000000 0.202209 0.424761 Cu\n0.000000 0.797790 0.575239 Cu\n0.000000 0.797790 0.924762 Cu\n0.500000 0.775198 0.250000 Hg\n0.500000 0.224801 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.243206 0.990430 S\n0.500000 0.243206 0.509570 S\n0.500000 0.756794 0.009570 S\n0.500000 0.756794 0.490430 S\n0.000000 0.550183 0.750000 Br\n0.000000 0.449817 0.250000 Br\n0.000000 0.976729 0.750000 Br\n0.000000 0.023271 0.250000 Br\n",
"nsites": 16,
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"elements": [
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"Hg",
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],
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"density": 6.370738869160806,
"density_atomic": 0.04080295261009333,
"volume": 392.12848523227007,
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"formula_full": "Cu4 Hg4 S4 Br4",
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{
"id": "jvasp-2982",
"created_at": "2022-09-04T14:36:57.558386Z",
"updated_at": "2022-09-04T14:36:57.558396Z",
"structure_string": "Nd2 Zn2 P2 O2\n1.0\n3.935179 0.003891 9.916429\n1.898854 3.446737 9.916429\n0.006580 0.003891 10.668698\nNd Zn P O\n2 2 2 2\ndirect\n0.618743 0.618743 0.618744 Nd\n0.381256 0.381257 0.381257 Nd\n0.196458 0.196458 0.196459 Zn\n0.803541 0.803542 0.803542 Zn\n0.113947 0.113947 0.113947 P\n0.886052 0.886053 0.886054 P\n0.694916 0.694917 0.694917 O\n0.305083 0.305083 0.305084 O\n",
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"formula_full": "Nd2 Zn2 P2 O2",
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{
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"updated_at": "2022-09-04T14:36:54.090549Z",
"structure_string": "Mn1 Al1 Cu1 Pd1\n1.0\n3.704613 -0.000000 2.138859\n1.234871 3.492743 2.138859\n-0.000000 -0.000000 4.277718\nMn Al Cu Pd\n1 1 1 1\ndirect\n0.500000 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Al\n0.749999 0.749999 0.750001 Cu\n0.250000 0.250000 0.250000 Pd\n",
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{
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"created_at": "2022-09-04T14:36:20.168617Z",
"updated_at": "2022-09-04T14:36:20.168626Z",
"structure_string": "Nb1 V1 C1 N1\n1.0\n2.942186 -0.000846 4.412884\n1.335585 2.621578 4.412884\n-0.001381 -0.000846 5.303772\nNb V C N\n1 1 1 1\ndirect\n0.745956 0.745951 0.745950 Nb\n0.258064 0.258062 0.258062 V\n0.992867 0.992860 0.992860 C\n0.503123 0.503120 0.503120 N\n",
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{
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"created_at": "2022-09-04T14:37:15.568188Z",
"updated_at": "2022-09-04T14:37:15.568215Z",
"structure_string": "V1 Co1 Ni1 Pd1\n1.0\n2.592611 -0.003005 8.103121\n1.262227 2.264602 8.103121\n-0.005122 -0.003005 8.507772\nV Co Ni Pd\n1 1 1 1\ndirect\n0.254670 0.254668 0.254669 V\n0.000250 0.000250 0.000250 Co\n0.745094 0.745087 0.745091 Ni\n0.499992 0.499987 0.499990 Pd\n",
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}
]
}